
#######################################################
#                                                     #
#                        LGA                          #
#                  ---------------                    #
#                                                     #
#               Local-Global Alignment                #
#        A Method for Finding 3-D Similarities        #
#               in Protein Structures                 #
#                                                     #
#                  ------------ 10/2009               #
#                                                     #
#      Adam Zemla (adamz@llnl.gov)                    #
#      Lawrence Livermore National Laboratory, CA     #
#                                                     #
#######################################################

!!!   License for LGA program has expired  !!!
#   For updated version of the LGA program   #
# please contact Adam Zemla:  adamz@llnl.gov #

# Molecule1: number of CA atoms  346 ( 2803),  selected  345 , name one
# Molecule2: number of CA atoms  345 ( 2795),  selected  345 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   111     109_A - 219_A       4.86    27.25
  LONGEST_CONTINUOUS_SEGMENT:   111     110_A - 220_A       4.74    27.26
  LONGEST_CONTINUOUS_SEGMENT:   111     111_A - 221_A       4.89    27.27
  LCS_AVERAGE:     16.63

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    48     168_A - 215_A       2.00    28.02
  LONGEST_CONTINUOUS_SEGMENT:    48     169_A - 216_A       2.00    27.88
  LCS_AVERAGE:      6.50

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    33      31_A - 63_A        0.94    31.65
  LONGEST_CONTINUOUS_SEGMENT:    33      32_A - 64_A        0.95    30.89
  LCS_AVERAGE:      3.68

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  345
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     E     2_A     E     2_A      5    8   15      3    5    5    6    7    9   10   11   12   14   16   19   21   23   25   27   28   30   33   35 
LCS_GDT     Q     3_A     Q     3_A      5    8   15      3    5    6    6    7    9   10   11   12   14   16   19   21   23   25   27   28   30   33   35 
LCS_GDT     K     4_A     K     4_A      5    8   15      3    5    6    6    7    9   10   11   12   14   16   19   21   23   25   27   28   30   33   35 
LCS_GDT     V     5_A     V     5_A      5    8   15      3    5    6    6    7    9   10   11   12   14   16   19   21   23   25   27   28   30   33   35 
LCS_GDT     Y     6_A     Y     6_A      5    8   19      3    5    6    6    7    9   10   11   12   14   16   19   21   23   25   27   28   30   33   35 
LCS_GDT     F     7_A     F     7_A      4    8   19      4    4    6    6    7    9   11   14   15   15   17   22   22   23   25   27   28   30   33   35 
LCS_GDT     P     8_A     P     8_A      4    8   19      4    4    4    6    7    8   11   14   15   18   20   22   22   23   25   27   28   30   33   35 
LCS_GDT     I     9_A     I     9_A      4    8   19      4    4    4    6    7   10   11   14   15   18   20   22   22   23   25   27   28   30   33   35 
LCS_GDT     N    10_A     N    10_A      4    5   19      4    4    4    6    7   10   11   14   15   18   20   22   22   23   25   26   28   30   33   35 
LCS_GDT     C    11_A     C    11_A      5    7   19      3    6    6    6    6    8   13   15   16   18   20   22   22   23   25   25   28   33   36   39 
LCS_GDT     S    12_A     S    12_A      5    8   19      3    6    6    6    8   13   14   15   16   18   20   22   22   23   25   25   25   33   36   39 
LCS_GDT     L    13_A     L    13_A      5    8   19      3    6    6    6    8   13   14   15   16   18   20   22   22   23   25   38   42   44   55   66 
LCS_GDT     S    14_A     S    14_A      6    8   19      3    6    6    8    8   13   14   15   16   18   20   22   22   23   25   27   28   33   36   60 
LCS_GDT     P    15_A     P    15_A      6    8   19      3    6    6    8    8   13   14   15   16   18   20   22   22   23   25   27   29   30   47   63 
LCS_GDT     I    16_A     I    16_A      6    8   19      3    4    6    8    8   13   14   15   16   18   20   22   22   23   25   35   38   44   47   49 
LCS_GDT     T    17_A     T    17_A      6    8   19      3    4    6    8    8   13   14   15   16   18   20   22   22   24   28   35   38   44   47   49 
LCS_GDT     I    18_A     I    18_A      6    8   19      3    4    6    8    8   13   14   15   16   18   20   22   22   26   30   31   37   44   47   49 
LCS_GDT     T    19_A     T    19_A      6    8   19      3    4    6    8    8   13   14   15   16   18   20   22   22   25   28   33   37   38   41   45 
LCS_GDT     T    20_A     T    20_A      6    8   19      3    4    6    8    8   13   14   14   16   18   20   22   22   25   27   33   37   38   40   45 
LCS_GDT     N    21_A     N    21_A      3    7   19      3    3    4    5    6    8    9   10   15   15   17   22   22   25   27   33   37   38   40   45 
LCS_GDT     Y    22_A     Y    22_A      3    7   19      3    3    4    5    6    8    9    9   13   14   16   20   22   24   26   30   34   37   39   43 
LCS_GDT     G    23_A     G    23_A      3    7   21      3    3    4    5    8   10   10   12   14   15   17   20   22   25   29   32   34   37   39   43 
LCS_GDT     E    24_A     E    24_A      3    7   39      3    3    4    6    8   10   12   18   25   26   28   29   31   34   34   36   41   44   47   50 
LCS_GDT     P    25_A     P    25_A      3    7   41      3    3    4    5    6    9   10   12   13   16   19   24   28   30   34   36   38   42   45   50 
LCS_GDT     Y    26_A     Y    26_A      5    7   44      3    4    5    6    8   10   10   12   13   16   19   19   22   28   31   36   39   43   47   50 
LCS_GDT     P    27_A     P    27_A      5    7   50      4    4    5    6    8   10   10   13   13   22   26   31   35   41   43   44   46   47   53   58 
LCS_GDT     N    28_A     N    28_A      5    7   50      4    4    5    6    8   10   10   12   13   16   19   24   30   36   37   40   46   50   58   64 
LCS_GDT     Q    29_A     Q    29_A      5    7   50      4    4    5    6    8   10   10   12   13   18   24   31   36   41   43   45   46   52   68   79 
LCS_GDT     K    30_A     K    30_A      5   36   50      4    4    5    6    8   10   17   30   34   37   39   42   44   46   46   48   58   69   80   93 
LCS_GDT     F    31_A     F    31_A     33   36   50      3   22   30   33   34   34   35   37   38   40   43   43   45   47   52   60   70   78   89   97 
LCS_GDT     F    32_A     F    32_A     33   36   50      6   27   30   33   34   34   36   38   39   41   43   44   48   52   57   63   70   78   89   97 
LCS_GDT     S    33_A     S    33_A     33   36   50      4   21   30   33   34   34   36   38   39   41   43   48   51   54   57   63   70   78   89   97 
LCS_GDT     L    34_A     L    34_A     33   36   50     13   23   30   33   34   34   36   38   39   41   43   48   51   54   57   63   70   78   89   97 
LCS_GDT     R    35_A     R    35_A     33   36   50      9   20   29   33   34   34   36   38   39   41   43   48   51   54   57   62   70   76   78   86 
LCS_GDT     E    36_A     E    36_A     33   36   50     13   27   30   33   34   34   36   38   39   41   43   48   51   54   57   62   70   78   89   97 
LCS_GDT     Q    37_A     Q    37_A     33   36   50     13   27   30   33   34   34   36   38   39   41   43   48   51   54   57   63   70   78   89   97 
LCS_GDT     R    38_A     R    38_A     33   36   50     13   27   30   33   34   34   36   38   39   41   43   48   51   54   57   63   70   77   89   97 
LCS_GDT     I    39_A     I    39_A     33   36   50     13   27   30   33   34   34   36   38   39   41   43   48   51   54   57   66   71   77   89   97 
LCS_GDT     L    40_A     L    40_A     33   36   50     13   27   30   33   34   34   36   38   39   41   43   48   51   54   65   74   80   88   98  104 
LCS_GDT     F    41_A     F    41_A     33   36   50     13   27   30   33   34   34   36   38   39   41   43   48   53   62   69   75   80   89   98  109 
LCS_GDT     D    42_A     D    42_A     33   36   50     13   27   30   33   34   34   36   38   39   41   43   48   51   62   65   75   80   88   97  104 
LCS_GDT     I    43_A     I    43_A     33   36   50     13   27   30   33   34   34   36   38   39   41   43   48   53   62   69   75   85   95  107  115 
LCS_GDT     A    44_A     A    44_A     33   36   50     13   27   30   33   34   34   36   38   39   41   43   54   62   72   81   87   99  106  117  123 
LCS_GDT     S    45_A     S    45_A     33   36   50     13   27   30   33   34   34   36   38   39   41   43   48   53   62   72   85   94  106  117  123 
LCS_GDT     L    46_A     L    46_A     33   36   50     13   27   30   33   34   34   36   38   39   41   43   48   51   54   61   75   87  106  117  123 
LCS_GDT     I    47_A     I    47_A     33   36   50     13   27   30   33   34   34   36   38   39   41   43   55   67   76   85   97  102  111  117  123 
LCS_GDT     R    48_A     R    48_A     33   36   50      8   27   30   33   34   34   36   38   39   41   43   48   67   76   89   97  104  111  117  123 
LCS_GDT     S    49_A     S    49_A     33   36   50     12   27   30   33   34   34   36   38   39   41   43   48   51   54   57   67  100  110  117  123 
LCS_GDT     Y    50_A     Y    50_A     33   36   50     12   27   30   33   34   34   36   38   39   41   43   48   74   79   86   94  100  111  117  123 
LCS_GDT     E    51_A     E    51_A     33   36   50     12   27   30   33   34   34   36   38   47   53   60   66   74   82   87  103  109  111  121  126 
LCS_GDT     S    52_A     S    52_A     33   36   50     12   27   30   33   34   34   36   38   39   53   60   66   74   79   87   94  109  111  121  126 
LCS_GDT     N    53_A     N    53_A     33   36   50      5   23   30   33   34   34   36   38   39   41   43   48   51   54   86   94  109  112  121  127 
LCS_GDT     Y    54_A     Y    54_A     33   36   50     12   27   30   33   34   34   36   38   39   41   69   78   86   96   98  103  110  117  122  127 
LCS_GDT     S    55_A     S    55_A     33   36   50     12   27   30   33   34   34   36   38   39   41   43   48   86   96  105  109  114  117  122  127 
LCS_GDT     S    56_A     S    56_A     33   36   50     12   27   30   33   34   34   36   38   39   41   43   56   62   65   90   96  114  117  122  127 
LCS_GDT     F    57_A     F    57_A     33   36   50     10   27   30   33   34   34   36   38   39   41   43   56   62   65   90  100  114  117  122  127 
LCS_GDT     K    58_A     K    58_A     33   36   50     12   27   30   33   34   34   36   38   39   41   43   72   78   99  107  110  114  117  122  127 
LCS_GDT     Q    59_A     Q    59_A     33   36   50     12   27   30   33   34   34   36   38   39   41   70   82   89   99  107  110  114  117  122  127 
LCS_GDT     N    60_A     N    60_A     33   36   50     12   27   30   33   34   34   36   38   39   41   43   48   51   91   94   98  114  117  122  127 
LCS_GDT     Y    61_A     Y    61_A     33   36   50     12   27   30   33   34   34   36   38   39   41   43   82   86   99  107  110  114  117  122  127 
LCS_GDT     P    62_A     P    62_A     33   36   50      5   27   30   33   34   34   36   38   67   76   87   92   93   99  107  110  114  117  122  127 
LCS_GDT     N    63_A     N    63_A     33   36   50      7   24   30   33   34   34   36   58   70   76   87   92   93   99  107  110  114  117  122  127 
LCS_GDT     L    64_A     L    64_A     33   36   50      5   14   29   33   34   34   36   38   39   41   49   84   89   96  100  110  112  116  122  127 
LCS_GDT     P    65_A     P    65_A      8   36   50      3    6    8   16   28   34   36   38   39   41   49   74   83   91   98  103  108  116  121  125 
LCS_GDT     Q    66_A     Q    66_A      8   36   50      3    6    8   10   21   28   34   38   39   41   43   48   74   80   87   98  108  113  121  125 
LCS_GDT     N    67_A     N    67_A      8   22   50      3    6    8    8   12   12   18   33   38   41   43   48   51   58   62   70   75   83  120  122 
LCS_GDT     L    68_A     L    68_A      3   22   50      5    9   14   22   28   34   36   38   39   41   43   48   51   76   87   95  110  113  121  125 
LCS_GDT     S    69_A     S    69_A      3   22   50      5    9   14   22   28   32   36   38   39   41   43   54   62   71   86   92  108  113  120  122 
LCS_GDT     S    70_A     S    70_A     15   22   50      6   13   14   20   26   31   34   38   39   41   43   54   63   71   86   95  108  113  120  122 
LCS_GDT     I    71_A     I    71_A     15   16   50      8   13   14   15   18   25   30   36   43   49   52   56   67   80   90  103  110  116  121  126 
LCS_GDT     T    72_A     T    72_A     15   16   50      8   13   14   15   15   16   32   38   52   56   75   81   86   96   98  103  110  116  122  127 
LCS_GDT     N    73_A     N    73_A     15   16   50      8   13   14   15   15   16   18   21   29   43   49   57   66   79   86   94  100  109  117  123 
LCS_GDT     R    74_A     R    74_A     15   16   50      6   13   14   15   15   16   18   21   29   38   40   42   48   58   69   82   91   99  109  121 
LCS_GDT     I    75_A     I    75_A     15   16   50      6   13   14   15   15   16   19   24   31   41   52   60   71   78   89   97  104  111  118  123 
LCS_GDT     L    76_A     L    76_A     15   16   50      8   13   14   15   15   16   18   21   30   35   41   51   61   69   81   91   99  106  117  123 
LCS_GDT     L    77_A     L    77_A     15   16   50      8   13   14   15   15   16   17   21   23   26   29   43   53   62   65   74   80   88   97  100 
LCS_GDT     L    78_A     L    78_A     15   16   50      8   13   14   15   15   16   18   21   23   31   36   43   49   54   59   74   80   84   89  100 
LCS_GDT     E    79_A     E    79_A     15   16   30      8   13   14   15   15   16   18   21   24   27   32   35   53   59   68   72   79   84   89   96 
LCS_GDT     F    80_A     F    80_A     15   16   30      8   13   14   15   15   16   17   21   23   26   30   33   37   42   59   66   71   77   89   92 
LCS_GDT     I    81_A     I    81_A     15   16   30      6   13   14   15   15   16   17   17   19   24   28   28   31   31   32   50   53   55   60   68 
LCS_GDT     V    82_A     V    82_A     15   16   30      6   13   14   15   15   16   17   21   23   26   28   28   31   31   32   35   40   44   49   57 
LCS_GDT     N    83_A     N    83_A     15   16   30      5   12   14   15   15   16   18   21   23   26   28   28   31   31   32   34   35   43   47   52 
LCS_GDT     T    84_A     T    84_A     15   16   30      3    9   12   15   15   16   18   21   23   26   28   28   31   31   32   34   35   36   40   49 
LCS_GDT     N    85_A     N    85_A      5   16   30      5    5    6    8   11   14   18   21   23   26   28   28   31   31   32   34   35   36   38   45 
LCS_GDT     P    86_A     P    86_A      5    8   30      5    5    6    8   11   14   18   21   23   26   28   28   31   32   34   35   36   40   47   52 
LCS_GDT     Q    87_A     Q    87_A      5    8   30      5    5    6    8   11   14   18   21   23   26   28   28   31   32   34   35   36   40   44   48 
LCS_GDT     K    88_A     K    88_A      5    8   30      5    5    6    8   11   13   18   21   23   26   28   28   31   32   34   35   36   40   44   48 
LCS_GDT     L    89_A     L    89_A      5   15   30      5    5    6    8   11   14   18   21   23   26   28   28   31   32   34   35   39   42   45   49 
LCS_GDT     N    90_A     N    90_A      4   19   30      3    4    8   13   16   18   19   21   23   26   28   28   31   32   34   35   39   43   45   49 
LCS_GDT     F    91_A     F    91_A      4   19   30      3    4    4    6   12   18   19   20   23   26   28   28   31   32   34   35   39   43   45   49 
LCS_GDT     A    92_A     A    92_A     14   19   30     13   14   14   14   16   18   19   21   23   26   28   28   31   32   34   35   39   43   45   49 
LCS_GDT     R    93_A     R    93_A     14   19   30     13   14   14   14   16   18   19   21   23   26   28   28   31   32   34   35   39   43   46   49 
LCS_GDT     S    94_A     S    94_A     14   19   30     13   14   14   14   16   18   19   20   23   26   27   28   31   32   34   51   57   58   60   63 
LCS_GDT     K    95_A     K    95_A     14   19   30     13   14   14   14   16   18   19   20   22   26   27   31   36   41   45   51   57   58   60   63 
LCS_GDT     I    96_A     I    96_A     14   19   30     13   14   14   14   16   18   20   22   24   26   30   33   36   41   45   51   57   58   60   63 
LCS_GDT     L    97_A     L    97_A     14   19   30     13   14   14   14   16   18   19   20   22   26   30   33   36   40   45   51   57   58   60   63 
LCS_GDT     S    98_A     S    98_A     14   19   29     13   14   14   14   16   18   20   22   24   26   30   33   36   41   45   51   57   58   60   63 
LCS_GDT     D    99_A     D    99_A     14   19   28     13   14   14   14   16   18   19   20   22   25   27   33   36   41   45   51   57   58   60   63 
LCS_GDT     R   100_A     R   100_A     14   19   28     13   14   14   14   16   18   19   20   22   25   27   33   36   40   45   51   57   58   60   63 
LCS_GDT     S   101_A     S   101_A     14   19   28     13   14   14   14   16   18   19   20   22   25   26   29   32   34   44   49   57   58   60   63 
LCS_GDT     K   102_A     K   102_A     14   19   28     13   14   14   14   16   18   19   20   22   25   26   28   30   32   34   35   36   40   44   48 
LCS_GDT     L   103_A     L   103_A     14   19   28     13   14   14   14   16   18   19   20   22   25   26   28   30   32   34   35   36   40   44   48 
LCS_GDT     I   104_A     I   104_A     14   19   28     13   14   14   14   16   18   19   20   22   25   26   28   30   32   34   35   36   40   44   49 
LCS_GDT     D   105_A     D   105_A     14   19   28      4   14   14   14   16   18   19   20   22   25   26   28   30   32   34   35   36   40   44   48 
LCS_GDT     K   106_A     K   106_A      5   19   28      4    5    5    6    9   15   19   20   21   25   26   28   30   32   34   35   36   40   44   52 
LCS_GDT     S   107_A     S   107_A      5   19   28      4    5    8   13   16   18   19   20   22   25   26   28   30   32   34   35   36   40   47   52 
LCS_GDT     N   108_A     N   108_A      5   19  110      4    5    5    6   14   18   19   20   22   25   26   28   30   32   34   35   36   40   47   59 
LCS_GDT     F   109_A     F   109_A      5    6  111      4    5    5    6    9   13   19   20   22   25   26   28   30   32   34   35   58   69   83   96 
LCS_GDT     K   110_A     K   110_A      5    6  111      3    5    5    6    7    9   12   19   27   36   46   64   77   87   97  102  108  112  116  120 
LCS_GDT     Y   111_A     Y   111_A      5    6  111      3    4    5    6    7   10   21   30   44   61   77   87   96  105  109  112  115  117  121  125 
LCS_GDT     I   112_A     I   112_A      5    9  111      3    8   17   29   53   65   75   80   86   88   93   99  104  108  111  113  115  117  121  127 
LCS_GDT     S   113_A     S   113_A      8   34  111      3   21   40   61   75   79   84   86   90   93   95   99  104  108  111  113  115  117  122  127 
LCS_GDT     F   114_A     F   114_A      8   34  111      7   38   69   75   78   81   84   87   90   93   96   98  102  106  110  113  115  117  122  127 
LCS_GDT     H   115_A     H   115_A      8   34  111     22   61   72   75   78   81   84   87   90   93   96   98  104  108  111  113  115  117  122  127 
LCS_GDT     P   116_A     P   116_A      8   34  111     32   60   72   75   78   81   84   87   90   93   96   98  104  108  111  113  115  117  122  127 
LCS_GDT     G   117_A     G   117_A      8   34  111     23   60   72   75   78   81   84   87   90   93   96   99  104  108  111  113  115  117  122  127 
LCS_GDT     V   118_A     V   118_A      8   34  111     44   61   72   75   78   81   84   87   90   93   96   99  104  108  111  113  115  117  122  127 
LCS_GDT     D   119_A     D   119_A      8   34  111     26   61   72   75   78   81   84   87   90   93   96   99  104  108  111  113  115  117  122  127 
LCS_GDT     I   120_A     I   120_A      8   34  111     16   61   72   75   78   81   84   87   90   93   96   99  104  108  111  113  115  117  122  127 
LCS_GDT     N   121_A     N   121_A      8   34  111     29   59   72   75   78   81   84   87   90   93   96   99  104  108  111  113  115  117  122  127 
LCS_GDT     Y   122_A     Y   122_A      8   34  111      3   26   72   75   78   81   84   87   90   93   96   99  104  108  111  113  115  117  122  127 
LCS_GDT     G   123_A     G   123_A      4   34  111      3   14   43   65   76   80   83   87   89   93   96   99  104  108  111  113  115  117  122  127 
LCS_GDT     S   124_A     S   124_A      4   34  111      3    6   21   47   72   78   83   87   89   93   96   99  104  108  111  113  115  117  122  127 
LCS_GDT     E   125_A     E   125_A      4   34  111      3    6   22   30   37   52   77   83   87   89   93   98  104  108  111  113  115  117  122  127 
LCS_GDT     N   126_A     N   126_A      4   34  111      3    5   18   30   60   73   82   86   89   93   96   99  104  108  111  113  115  117  122  127 
LCS_GDT     Q   127_A     Q   127_A     21   34  111     11   60   70   75   78   81   84   87   90   93   96   99  104  108  111  113  115  117  122  127 
LCS_GDT     D   128_A     D   128_A     21   34  111     45   61   72   75   78   81   84   87   90   93   96   99  104  108  111  113  115  117  122  127 
LCS_GDT     F   129_A     F   129_A     21   34  111     45   61   72   75   78   81   84   87   90   93   96   99  104  108  111  113  115  117  122  127 
LCS_GDT     G   130_A     G   130_A     21   34  111     45   61   72   75   78   81   84   87   90   93   96   99  104  108  111  113  115  117  122  127 
LCS_GDT     L   131_A     L   131_A     21   34  111     45   61   72   75   78   81   84   87   90   93   96   99  104  108  111  113  115  117  122  127 
LCS_GDT     P   132_A     P   132_A     21   34  111     45   61   72   75   78   81   84   87   90   93   96   99  104  108  111  113  115  117  122  127 
LCS_GDT     V   133_A     V   133_A     21   34  111     45   61   72   75   78   81   84   87   90   93   96   99  104  108  111  113  115  117  122  127 
LCS_GDT     Y   134_A     Y   134_A     21   34  111     45   61   72   75   78   81   84   87   90   93   96   99  104  108  111  113  115  117  122  127 
LCS_GDT     A   135_A     A   135_A     21   34  111     45   61   72   75   78   81   84   87   90   93   96   99  104  108  111  113  115  117  122  127 
LCS_GDT     V   136_A     V   136_A     21   34  111     44   61   72   75   78   81   84   87   90   93   96   99  104  108  111  113  115  117  122  127 
LCS_GDT     T   137_A     T   137_A     21   34  111     22   59   72   75   78   81   84   87   90   93   96   99  104  108  111  113  115  117  122  127 
LCS_GDT     D   138_A     D   138_A     21   34  111     44   61   72   75   78   81   84   87   90   93   96   99  104  108  111  113  115  117  122  127 
LCS_GDT     G   139_A     G   139_A     21   34  111     45   61   72   75   78   81   84   87   90   93   96   99  104  108  111  113  115  117  122  127 
LCS_GDT     V   140_A     V   140_A     21   34  111     45   61   72   75   78   81   84   87   90   93   96   99  104  108  111  113  115  117  122  127 
LCS_GDT     V   141_A     V   141_A     21   34  111     45   61   72   75   78   81   84   87   90   93   96   99  104  108  111  113  115  117  122  127 
LCS_GDT     I   142_A     I   142_A     21   34  111     45   61   72   75   78   81   84   87   90   93   96   99  104  108  111  113  115  117  122  127 
LCS_GDT     N   143_A     N   143_A     21   34  111     45   61   72   75   78   81   84   87   90   93   96   99  104  108  111  113  115  117  122  127 
LCS_GDT     A   144_A     A   144_A     21   34  111     45   61   72   75   78   81   84   87   90   93   96   99  104  108  111  113  115  117  122  127 
LCS_GDT     S   145_A     S   145_A     21   34  111     45   61   72   75   78   81   84   87   90   93   96   99  104  108  111  113  115  117  122  127 
LCS_GDT     R   146_A     R   146_A     21   34  111     10   60   72   75   78   81   84   87   90   93   96   99  104  108  111  113  115  117  122  127 
LCS_GDT     H   147_A     H   147_A     21   34  111      4    9   58   75   78   81   84   87   90   93   96   98  104  108  111  113  115  117  122  127 
LCS_GDT     F   148_A     F   148_A      3   25  111      3    3    5    7    9   15   50   78   88   92   96   98  101  104  110  113  115  117  122  127 
LCS_GDT     C   149_A     C   149_A      5   25  111      3    5   40   72   78   81   84   87   90   93   96   98  104  108  111  113  115  117  122  127 
LCS_GDT     S   150_A     S   150_A      5   25  111      3   11   35   64   74   81   84   86   90   93   96   99  104  108  111  113  115  117  122  127 
LCS_GDT     A   151_A     A   151_A      5   25  111      3   10   32   56   71   78   84   85   90   93   96   99  104  108  111  113  115  117  122  127 
LCS_GDT     S   152_A     S   152_A      5   10  111      3    5   10   21   33   51   57   77   84   90   95   99  104  108  111  113  115  117  122  127 
LCS_GDT     C   153_A     C   153_A      5   10  111      3    5    6   12   24   44   52   68   79   88   95   99  104  108  111  113  115  117  122  127 
LCS_GDT     D   154_A     D   154_A      5   10  111      3    4   10   10   15   23   45   63   73   85   90   99  104  108  111  113  115  117  122  127 
LCS_GDT     C   155_A     C   155_A      5   11  111      3    5    6   13   32   46   74   80   88   92   96   99  104  108  111  113  115  117  122  127 
LCS_GDT     S   156_A     S   156_A      3   44  111      3    3    6    8   21   46   75   86   90   93   96   99  104  108  111  113  115  117  122  127 
LCS_GDT     G   157_A     G   157_A      9   44  111     24   61   72   75   78   81   84   87   90   93   96   99  104  108  111  113  115  117  122  127 
LCS_GDT     F   158_A     F   158_A      9   44  111     45   61   72   75   78   81   84   87   90   93   96   99  104  108  111  113  115  117  122  127 
LCS_GDT     V   159_A     V   159_A      9   44  111     45   61   72   75   78   81   84   87   90   93   96   99  104  108  111  113  115  117  122  127 
LCS_GDT     A   160_A     A   160_A     14   44  111     45   61   72   75   78   81   84   87   90   93   96   99  104  108  111  113  115  117  122  127 
LCS_GDT     V   161_A     V   161_A     14   44  111     45   61   72   75   78   81   84   87   90   93   96   99  104  108  111  113  115  117  122  127 
LCS_GDT     E   162_A     E   162_A     14   44  111     45   61   72   75   78   81   84   87   90   93   96   99  104  108  111  113  115  117  122  127 
LCS_GDT     H   163_A     H   163_A     14   44  111      5   25   70   75   78   81   84   87   90   93   96   99  104  108  111  113  115  117  122  127 
LCS_GDT     R   164_A     R   164_A     14   44  111      5   17   36   72   78   81   84   87   90   93   96   99  104  108  111  113  115  117  122  127 
LCS_GDT     C   165_A     C   165_A     14   44  111      5   14   27   46   67   79   83   87   89   93   96   98  101  104  110  112  115  117  121  125 
LCS_GDT     Q   166_A     Q   166_A     14   44  111      5   14   23   36   57   76   83   87   89   91   96   98  101  103  105  109  114  117  119  122 
LCS_GDT     N   167_A     N   167_A     14   44  111      5   14   32   52   71   79   83   87   89   93   96   98  101  103  107  112  115  117  121  125 
LCS_GDT     K   168_A     K   168_A     14   48  111      5   14   32   53   71   79   83   87   89   93   96   98  101  104  107  112  115  117  121  127 
LCS_GDT     I   169_A     I   169_A     30   48  111      9   29   58   74   78   80   83   87   89   93   96   98  103  108  111  113  115  117  122  127 
LCS_GDT     F   170_A     F   170_A     30   48  111     36   60   72   75   78   81   84   87   90   93   96   99  104  108  111  113  115  117  122  127 
LCS_GDT     Y   171_A     Y   171_A     30   48  111     36   61   72   75   78   81   84   87   90   93   96   99  104  108  111  113  115  117  122  127 
LCS_GDT     A   172_A     A   172_A     30   48  111     24   61   72   75   78   81   84   87   90   93   96   99  104  108  111  113  115  117  122  127 
LCS_GDT     L   173_A     L   173_A     30   48  111     45   61   72   75   78   81   84   87   90   93   96   99  104  108  111  113  115  117  122  127 
LCS_GDT     Y   174_A     Y   174_A     30   48  111     45   61   72   75   78   81   84   87   90   93   96   99  104  108  111  113  115  117  122  127 
LCS_GDT     G   175_A     G   175_A     30   48  111     45   61   72   75   78   81   84   87   90   93   96   99  104  108  111  113  115  117  122  127 
LCS_GDT     H   176_A     H   176_A     30   48  111     45   61   72   75   78   81   84   87   90   93   96   99  104  108  111  113  115  117  122  127 
LCS_GDT     V   177_A     V   177_A     30   48  111     45   61   72   75   78   81   84   87   90   93   96   99  104  108  111  113  115  117  122  127 
LCS_GDT     V   178_A     V   178_A     30   48  111     45   61   72   75   78   81   84   87   90   93   96   99  104  108  111  113  115  117  122  127 
LCS_GDT     P   179_A     P   179_A     30   48  111     45   61   72   75   78   81   84   87   90   93   96   99  104  108  111  113  115  117  122  127 
LCS_GDT     E   180_A     E   180_A     30   48  111     45   61   72   75   78   81   84   87   90   93   96   99  104  108  111  113  115  117  122  127 
LCS_GDT     A   181_A     A   181_A     30   48  111     35   61   72   75   78   81   84   87   90   93   96   99  104  108  111  113  115  117  122  127 
LCS_GDT     N   182_A     N   182_A     30   48  111     45   61   72   75   78   81   84   87   90   93   96   99  104  108  111  113  115  117  122  127 
LCS_GDT     I   183_A     I   183_A     30   48  111     45   61   72   75   78   81   84   87   90   93   96   99  104  108  111  113  115  117  122  127 
LCS_GDT     G   184_A     G   184_A     30   48  111     45   61   72   75   78   81   84   87   90   93   96   99  104  108  111  113  115  117  122  127 
LCS_GDT     K   185_A     K   185_A     30   48  111     45   61   72   75   78   81   84   87   90   93   96   99  104  108  111  113  115  117  122  127 
LCS_GDT     K   186_A     K   186_A     30   48  111     45   61   72   75   78   81   84   87   90   93   96   99  104  108  111  113  115  117  122  127 
LCS_GDT     V   187_A     V   187_A     30   48  111     45   61   72   75   78   81   84   87   90   93   96   99  104  108  111  113  115  117  122  127 
LCS_GDT     K   188_A     K   188_A     30   48  111     44   61   72   75   78   81   84   87   90   93   96   99  104  108  111  113  115  117  122  127 
LCS_GDT     A   189_A     A   189_A     30   48  111     24   60   72   75   78   81   84   87   90   93   96   99  104  108  111  113  115  117  122  127 
LCS_GDT     G   190_A     G   190_A     30   48  111     44   61   72   75   78   81   84   87   90   93   96   99  104  108  111  113  115  117  122  127 
LCS_GDT     E   191_A     E   191_A     30   48  111     45   61   72   75   78   81   84   87   90   93   96   99  104  108  111  113  115  117  122  127 
LCS_GDT     R   192_A     R   192_A     30   48  111     45   61   72   75   78   81   84   87   90   93   96   99  104  108  111  113  115  117  122  127 
LCS_GDT     I   193_A     I   193_A     30   48  111     45   61   72   75   78   81   84   87   90   93   96   99  104  108  111  113  115  117  122  127 
LCS_GDT     A   194_A     A   194_A     30   48  111     45   61   72   75   78   81   84   87   90   93   96   99  104  108  111  113  115  117  122  127 
LCS_GDT     S   195_A     S   195_A     30   48  111     45   61   72   75   78   81   84   87   90   93   96   99  104  108  111  113  115  117  122  127 
LCS_GDT     I   196_A     I   196_A     30   48  111     45   61   72   75   78   81   84   87   90   93   96   99  104  108  111  113  115  117  122  127 
LCS_GDT     G   197_A     G   197_A     30   48  111     45   61   72   75   78   81   84   87   90   93   96   99  104  108  111  113  115  117  122  127 
LCS_GDT     E   198_A     E   198_A     30   48  111      3   38   72   75   78   81   84   87   90   93   96   99  104  108  111  113  115  117  122  127 
LCS_GDT     Y   199_A     Y   199_A     30   48  111      3    4    5   14   26   77   82   86   90   92   95   98  103  108  111  113  115  117  122  127 
LCS_GDT     K   200_A     K   200_A      5   48  111      3    5   14   32   67   78   82   86   90   92   96   99  104  108  111  113  115  117  122  127 
LCS_GDT     C   201_A     C   201_A      6   48  111      2    5    8   18   31   56   79   84   90   92   96   98  103  108  111  113  115  117  122  127 
LCS_GDT     N   202_A     N   202_A      6   48  111      3    6   14   37   75   80   83   87   90   93   96   99  104  108  111  113  115  117  122  127 
LCS_GDT     S   203_A     S   203_A     10   48  111      3    4   10   14   36   66   82   86   90   91   95   98  100  106  110  113  115  117  121  125 
LCS_GDT     T   204_A     T   204_A     11   48  111      3   20   64   75   78   81   84   87   90   93   96   99  104  108  111  113  115  117  122  127 
LCS_GDT     S   205_A     S   205_A     11   48  111      3   55   72   75   78   81   84   87   90   93   96   99  104  108  111  113  115  117  122  127 
LCS_GDT     H   206_A     H   206_A     11   48  111     45   61   72   75   78   81   84   87   90   93   96   99  104  108  111  113  115  117  122  127 
LCS_GDT     L   207_A     L   207_A     11   48  111     45   61   72   75   78   81   84   87   90   93   96   99  104  108  111  113  115  117  122  127 
LCS_GDT     H   208_A     H   208_A     11   48  111     45   61   72   75   78   81   84   87   90   93   96   99  104  108  111  113  115  117  122  127 
LCS_GDT     L   209_A     L   209_A     11   48  111     45   61   72   75   78   81   84   87   90   93   96   99  104  108  111  113  115  117  122  127 
LCS_GDT     E   210_A     E   210_A     11   48  111     26   61   72   75   78   81   84   87   90   93   96   99  104  108  111  113  115  117  122  127 
LCS_GDT     I   211_A     I   211_A     11   48  111     26   61   72   75   78   81   84   87   90   93   96   99  104  108  111  113  115  117  122  127 
LCS_GDT     T   212_A     T   212_A     11   48  111      3   61   72   75   78   81   84   87   90   93   96   99  104  108  111  113  115  117  122  127 
LCS_GDT     L   213_A     L   213_A     11   48  111     39   61   72   75   78   81   84   87   90   93   96   99  104  108  111  113  115  117  122  127 
LCS_GDT     K   214_A     K   214_A     11   48  111     12   59   72   75   78   81   84   87   90   93   96   99  104  108  111  113  115  117  122  127 
LCS_GDT     N   215_A     N   215_A      4   48  111      4   10   48   71   78   81   84   86   90   93   96   99  104  108  111  113  115  117  122  127 
LCS_GDT     I   216_A     I   216_A      4   48  111      4    7   21   42   59   76   84   86   90   93   95   99  104  108  111  113  115  117  122  127 
LCS_GDT     Y   217_A     Y   217_A      4    5  111      4    4    5    8   10   26   28   50   65   78   89   96  104  108  111  113  115  117  121  125 
LCS_GDT     S   218_A     S   218_A      3    6  111      3    5   10   11   11   12   14   15   17   20   29   38   65   74   81   91   96  110  116  120 
LCS_GDT     N   219_A     N   219_A      3    6  111      3    5   10   11   11   13   14   15   17   19   21   23   29   39   46   51   56   59   66   83 
LCS_GDT     F   220_A     F   220_A      3    6  111      3    3    5   11   11   13   14   15   17   19   23   30   35   39   46   62   71   82   89   98 
LCS_GDT     P   221_A     P   221_A      5    6  111      3    4    5    6    8   13   14   17   20   24   28   30   35   39   46   51   56   65   71   81 
LCS_GDT     K   222_A     K   222_A      5    6   18      3    4    5    6    7   10   14   17   21   24   28   30   35   39   46   51   59   65   71   81 
LCS_GDT     N   223_A     N   223_A      5    6   14      3    4    5    6    8   13   14   15   17   23   28   30   35   37   44   48   59   65   76   81 
LCS_GDT     Y   224_A     Y   224_A      5    6   14      3    4    5    6    7    7   13   17   19   23   29   35   51   70   74   88   92   98  108  117 
LCS_GDT     P   225_A     P   225_A      5    6   14      3    4    6    7   16   20   21   24   28   44   58   65   79   89   95  104  113  115  118  122 
LCS_GDT     R   226_A     R   226_A      3    6   14      3    4    7    8    9   13   21   23   26   30   43   47   52   67   78   86   94  101  109  117 
LCS_GDT     N   227_A     N   227_A      4    7   25      3    6    6    8   16   20   23   29   34   45   63   74   82   90   97  105  113  115  119  123 
LCS_GDT     M   228_A     M   228_A      4    7   25      3    4    5    6    8   17   20   22   30   35   50   69   87   96  103  111  114  117  121  125 
LCS_GDT     Y   229_A     Y   229_A      5    7   25      3    9   10   11   13   20   23   57   77   85   90   99  104  108  111  113  115  117  122  127 
LCS_GDT     K   230_A     K   230_A      5    7   26      4    4    5    9   12   16   19   21   43   68   78   89   96  102  110  113  115  117  122  127 
LCS_GDT     D   231_A     D   231_A      5    7   27      4    4    7    9   13   20   23   64   77   85   90   99  104  108  111  113  115  117  122  127 
LCS_GDT     K   232_A     K   232_A      5    7   27      4    4   10   21   39   51   61   74   80   89   95   97  100  106  111  113  115  117  122  127 
LCS_GDT     G   233_A     G   233_A      5    7   27      3    4    7   11   16   30   42   54   61   73   82   89   95  100  102  107  112  117  122  127 
LCS_GDT     L   234_A     L   234_A      3   11   27      3    3    4    7   11   15   19   24   47   53   60   71   75   92   98  103  110  116  121  127 
LCS_GDT     N   235_A     N   235_A     10   13   27      9   10   13   20   24   30   34   36   39   41   43   48   53   63   86   97  104  111  118  123 
LCS_GDT     L   236_A     L   236_A     10   13   30      9   10   10   10   12   13   23   28   33   40   43   48   51   54   59   81   91   93  114  121 
LCS_GDT     A   237_A     A   237_A     10   13   30      9   10   10   11   15   18   21   25   28   33   39   43   46   49   53   55   60   64   72   82 
LCS_GDT     Y   238_A     Y   238_A     10   13   30      9   10   12   14   16   18   20   22   24   26   35   48   51   54   57   59   64   72   80   88 
LCS_GDT     I   239_A     I   239_A     10   13   30      9   10   10   19   23   30   34   36   39   41   43   48   51   54   57   63   74   86   98  104 
LCS_GDT     A   240_A     A   240_A     10   13   30      9   10   10   10   15   18   20   25   28   33   40   43   46   52   57   59   64   71   76   86 
LCS_GDT     A   241_A     A   241_A     10   13   30      9   10   10   10   13   15   16   19   23   27   28   33   37   41   46   51   59   59   68   80 
LCS_GDT     I   242_A     I   242_A     10   13   30      9   10   10   10   13   15   16   18   20   27   30   34   38   44   50   53   64   72   76   86 
LCS_GDT     L   243_A     L   243_A     10   13   30      9   10   10   10   13   15   19   23   26   30   40   48   51   54   57   59   69   75   81   91 
LCS_GDT     Y   244_A     Y   244_A     10   13   30      7   10   10   10   12   15   16   18   20   27   28   32   37   43   46   53   59   63   74   81 
LCS_GDT     D   245_A     D   245_A      8   13   30      7    8    8    9   13   15   16   18   20   24   28   31   37   40   46   51   59   59   63   73 
LCS_GDT     I   246_A     I   246_A      8   13   30      7    8    8    9   13   15   16   18   22   27   28   33   37   43   47   53   59   62   69   76 
LCS_GDT     L   247_A     L   247_A      8   13   30      7    8    8    9   13   15   19   24   28   30   33   37   41   45   50   53   59   67   74   84 
LCS_GDT     N   248_A     N   248_A      8   13   30      7    8    8    9   13   15   16   18   20   24   28   31   37   40   46   51   57   58   63   68 
LCS_GDT     T   249_A     T   249_A      8   13   30      7    8    8    9   13   15   16   18   22   24   28   33   37   41   46   51   59   59   65   68 
LCS_GDT     T   250_A     T   250_A      8   13   30      4    8    8    9   13   15   19   24   28   30   33   37   41   45   50   53   59   63   74   81 
LCS_GDT     T   251_A     T   251_A      5   12   30      4    5    5    9   10   12   16   21   23   27   32   37   41   45   50   53   59   67   74   84 
LCS_GDT     S   252_A     S   252_A      5   12   30      4    5    5    9   13   15   17   22   27   32   36   41   45   49   52   60   65   71   76   84 
LCS_GDT     S   253_A     S   253_A      5    7   30      4    5    5    6    6   12   16   21   27   30   36   41   45   49   51   55   65   69   77   84 
LCS_GDT     T   254_A     T   254_A      8   14   30      3    7   10   12   14   18   20   22   27   32   36   41   45   49   55   60   70   75   78   86 
LCS_GDT     Q   255_A     Q   255_A      8   14   30      3    8   12   14   16   18   20   22   27   32   36   41   45   49   55   60   67   74   78   86 
LCS_GDT     Y   256_A     Y   256_A      8   14   30      5    9   12   14   16   18   20   22   27   32   36   41   45   49   55   62   70   76   78   86 
LCS_GDT     C   257_A     C   257_A      8   14   30      5    9   12   14   16   18   20   22   27   32   36   41   45   49   55   62   70   76   78   91 
LCS_GDT     L   258_A     L   258_A      9   14   30      5    9   12   14   16   18   20   24   28   32   36   41   45   49   55   62   70   78   89   97 
LCS_GDT     D   259_A     D   259_A      9   14   30      6    9   12   14   16   18   22   27   30   32   39   44   50   57   66   72   84   92   96  105 
LCS_GDT     Y   260_A     Y   260_A      9   14   30      6    9   10   14   16   18   21   24   30   32   39   50   52   64   69   77   87   92  100  106 
LCS_GDT     K   261_A     K   261_A      9   14   30      5    9   10   13   16   18   20   23   27   32   36   41   52   69   76   81   93   99  106  113 
LCS_GDT     Y   262_A     Y   262_A      9   14   30      6    9   10   11   14   17   30   41   55   57   66   72   78   91   98  103  108  116  120  125 
LCS_GDT     Y   263_A     Y   263_A      9   14   30      6    9   10   11   16   22   30   40   50   57   66   76   84   92   98  103  110  116  121  125 
LCS_GDT     I   264_A     I   264_A      9   14   30      6    9   10   11   14   17   44   48   56   62   71   82   89   96  101  105  110  116  120  125 
LCS_GDT     N   265_A     N   265_A      9   14   30      6    9   10   11   14   17   33   51   59   70   80   88   95  101  107  110  114  117  122  127 
LCS_GDT     S   266_A     S   266_A      9   14   30      6    9   10   11   14   36   52   63   69   77   86   91   96  100  107  110  114  117  122  127 
LCS_GDT     F   267_A     F   267_A      9   14   23      3    9   10   11   14   44   52   63   71   87   95   96  100  104  108  113  115  117  122  127 
LCS_GDT     M   268_A     M   268_A      7   11   23      4    5    6    7   12   13   18   21   84   89   95   97  101  106  111  113  115  117  122  127 
LCS_GDT     D   269_A     D   269_A      7   10   23      4    6    6    7    8   13   23   27   36   39   44   48   96  105  111  113  115  117  121  125 
LCS_GDT     P   270_A     P   270_A      7   10   23      4    6    6    7    8   20   66   71   77   85   92   99  104  108  111  113  115  117  122  127 
LCS_GDT     N   271_A     N   271_A      7   10   23      4    6    6    7    8    9   22   25   70   79   90   99  103  108  111  113  115  117  121  122 
LCS_GDT     E   272_A     E   272_A      7   10   23      4    6    6    7   10   33   52   65   74   81   90   99  104  108  111  113  115  117  121  122 
LCS_GDT     S   273_A     S   273_A      7   10   23      4    6    9   19   31   47   57   67   76   81   90   99  104  108  111  113  115  117  121  122 
LCS_GDT     W   274_A     W   274_A      7   10   23      3    6    6    7   29   40   57   68   75   85   92   99  104  108  111  113  115  117  121  122 
LCS_GDT     N   275_A     N   275_A      6   10   19      3    6    6   14   24   35   50   66   76   84   90   99  104  108  111  113  115  117  121  122 
LCS_GDT     F   276_A     F   276_A      6   10   19      3    6    6    7   10   21   35   52   60   77   88   99  104  108  111  113  115  117  121  122 
LCS_GDT     F   277_A     F   277_A      6   10   19      3    6    6    7   10   10   14   33   39   51   77   88   96  101  106  112  115  117  121  122 
LCS_GDT     G   278_A     G   278_A      6    8   19      3    6    6    6   10   22   27   43   58   72   80   91   94  101  107  112  115  117  119  122 
LCS_GDT     K   279_A     K   279_A      4    7   17      3    4    4    5    6    8   10   12   13   19   35   42   50   55   65   95  101  108  114  117 
LCS_GDT     N   280_A     N   280_A      5    6   17      3    5    5    6    8    8    9   14   25   29   35   42   47   53   60   68   96  102  110  116 
LCS_GDT     N   281_A     N   281_A      5    6   17      4    5    5    6    8    9   14   21   31   36   39   45   52   55   85   88   99  103  110  117 
LCS_GDT     P   282_A     P   282_A      5    6   17      4    5    5    6    8    8   14   18   22   25   26   28   52   54   64   68   72   81   84   90 
LCS_GDT     Y   283_A     Y   283_A      5    6   17      4    5    5    9   13   15   16   19   22   25   26   32   33   36   41   48   50   75   82   84 
LCS_GDT     T   284_A     T   284_A      5    6   17      4    5    5    9   13   15   16   19   22   25   27   34   52   54   91   92   95   97  100  108 
LCS_GDT     Q   285_A     Q   285_A      5    6   17      3    4    5    9   13   15   15   18   18   22   27   34   38   44   50   53   59   67   76   84 
LCS_GDT     A   286_A     A   286_A      3    6   19      3    3    3    4    6    7   10   11   15   21   27   34   38   44   50   53   59   67   76   84 
LCS_GDT     T   287_A     T   287_A      4    6   21      4    4    5    5    6    8   11   14   16   21   27   34   38   44   63   69   74   84   93  100 
LCS_GDT     S   288_A     S   288_A      4    6   21      4    4    4    5    9   12   14   19   38   43   47   52   63   95  103  104  108  108  109  112 
LCS_GDT     D   289_A     D   289_A      4    6   21      4    4    4    6   10   15   19   22   24   26   32   34   38   62   70   73   78   86   94  100 
LCS_GDT     E   290_A     E   290_A      4    6   21      4    4    4    6   10   15   19   22   24   27   32   34   38   62   70   73   78   86   94  102 
LCS_GDT     V   291_A     V   291_A      4    6   21      4    4    4    5    6    8   12   29   38   43   47   52   55   70   78   81   89  107  109  111 
LCS_GDT     F   292_A     F   292_A      4    5   21      4    4    4    5    5    8   11   14   16   20   23   52   55   62   70   73   78   86   97  106 
LCS_GDT     Y   293_A     Y   293_A      4    5   23      4    4    4    4   10   15   19   29   38   43   47   52   55   62   78   88   90  107  109  110 
LCS_GDT     G   294_A     G   294_A      3    9   31      3    3    5   12   15   25   54   64   74   84   88   94   98  101  104  105  108  108  110  112 
LCS_GDT     G   295_A     G   295_A      6   10   31      3    4   10   16   24   27   37   55   65   75   84   91   96  101  104  105  108  108  110  112 
LCS_GDT     S   296_A     S   296_A      6   10   31      5    6   10   16   24   27   32   45   49   75   82   87   93  100  104  104  108  108  110  112 
LCS_GDT     Y   297_A     Y   297_A      6   10   31      5    6   10   18   24   27   34   45   65   75   84   87   94  101  104  104  108  108  110  112 
LCS_GDT     A   298_A     A   298_A      6   10   31      5    6   14   19   24   31   40   55   65   81   85   91   97  101  104  105  108  108  110  114 
LCS_GDT     K   299_A     K   299_A      6   10   31      5    6   14   19   24   27   37   55   65   75   84   88   95  101  104  105  108  108  110  112 
LCS_GDT     Y   300_A     Y   300_A      6   10   31      5    6   10   19   24   27   34   45   49   75   84   87   93  101  104  105  108  108  110  112 
LCS_GDT     Y   301_A     Y   301_A      6   10   31      4    5   12   17   23   28   37   55   75   84   89   94   98  101  107  110  114  117  122  127 
LCS_GDT     G   302_A     G   302_A      5   10   31      4    7    9   12   19   37   47   73   78   85   91   94   98  101  104  110  112  116  121  127 
LCS_GDT     Y   303_A     Y   303_A      4   10   31      3    3    4    5    7   15   31   44   71   78   91   94   98  101  104  105  108  109  113  125 
LCS_GDT     I   304_A     I   304_A      3   10   31      4    5    6    7   13   18   31   41   54   77   82   92   98  100  104  105  108  109  113  117 
LCS_GDT     E   305_A     E   305_A      3   10   31      3    4    7    8   12   16   20   22   27   35   46   51   60   66   76   79   99  103  107  111 
LCS_GDT     P   306_A     P   306_A      3   10   31      3    4   10   12   13   17   20   22   25   28   31   37   43   49   55   62   70   76   78   84 
LCS_GDT     L   307_A     L   307_A      3   10   31      3    4    4    8    8   12   14   15   21   24   29   32   42   48   55   62   70   76   78   86 
LCS_GDT     N   308_A     N   308_A      4   10   31      3    4    4    5    7    9   14   17   20   24   29   37   42   49   55   62   70   78   89   97 
LCS_GDT     F   309_A     F   309_A      5   10   31      3    4    7    8    9   10   13   18   20   21   24   29   33   43   55   59   70   76   78   84 
LCS_GDT     L   310_A     L   310_A      5   10   31      4    4    7    8    9   10   11   18   20   21   23   26   30   36   44   48   57   71   72   83 
LCS_GDT     R   311_A     R   311_A      5   10   31      4    4    7    8    9   10   13   18   20   21   23   26   31   36   44   51   56   66   68   75 
LCS_GDT     S   312_A     S   312_A      5   10   31      4    4    7    8    9   10   11   18   20   21   23   26   28   36   40   46   54   59   68   83 
LCS_GDT     F   313_A     F   313_A      5   11   31      4    4   10   11   11   12   14   15   17   21   23   26   28   28   32   42   47   51   56   66 
LCS_GDT     G   314_A     G   314_A      5   11   31      3    3   10   11   11   12   14   18   20   21   23   26   28   28   34   45   48   51   59   66 
LCS_GDT     Q   315_A     Q   315_A      3   11   31      3    3    3    6   10   10   11   14   16   19   23   26   28   28   37   41   47   51   56   63 
LCS_GDT     N   316_A     N   316_A      7   11   31      4    5   10   11   11   12   14   15   17   19   21   24   28   32   38   45   48   56   59   66 
LCS_GDT     K   317_A     K   317_A      7   11   31      4    5   10   11   11   12   14   15   20   21   23   26   31   35   40   49   53   56   60   66 
LCS_GDT     V   318_A     V   318_A      7   11   31      4    5   10   11   11   12   14   18   20   21   23   26   31   36   42   49   53   56   61   70 
LCS_GDT     Y   319_A     Y   319_A      7   11   31      4    6   10   11   11   12   14   18   20   21   23   26   31   36   46   51   56   59   66   70 
LCS_GDT     S   320_A     S   320_A      7   11   31      3    6   10   11   11   12   14   18   20   21   23   26   34   39   46   51   56   59   66   70 
LCS_GDT     P   321_A     P   321_A      7   11   31      3    6    8    9   10   12   14   16   20   21   23   26   31   36   46   51   56   59   61   67 
LCS_GDT     V   322_A     V   322_A      7   11   31      3    6   10   11   11   12   14   18   20   21   23   27   35   39   46   51   56   60   66   70 
LCS_GDT     T   323_A     T   323_A      7   11   31      3    6    8    9   10   11   14   16   19   21   23   27   35   39   46   51   56   60   66   70 
LCS_GDT     Q   324_A     Q   324_A      7   11   31      3    6    8    9   10   11   12   13   16   19   21   26   31   36   44   49   56   59   61   70 
LCS_GDT     S   325_A     S   325_A      3    6   31      3    3    3    4    6    7   10   12   14   15   18   23   30   35   44   47   52   59   66   70 
LCS_GDT     L   326_A     L   326_A      5    6   21      3    5    5    5    6    7    8   10   13   17   19   25   30   35   46   51   56   60   66   70 
LCS_GDT     C   327_A     C   327_A      5    6   21      3    5    5    6    7    9   11   17   21   24   28   30   35   37   44   51   56   60   66   75 
LCS_GDT     P   328_A     P   328_A      5    6   21      3    5    6    7    9    9   11   13   13   17   18   22   29   36   40   44   51   59   68   75 
LCS_GDT     N   329_A     N   329_A      5    6   21      3    5    5    6    8   10   11   13   15   18   18   24   29   36   40   48   57   60   73   80 
LCS_GDT     F   330_A     F   330_A      5    6   21      3    5    5    6    7    9   12   17   21   24   28   30   35   39   46   54   63   76   78   83 
LCS_GDT     N   331_A     N   331_A      3    5   21      3    3    4    4    7    9   11   17   21   24   28   30   35   44   55   59   63   76   78   83 
LCS_GDT     T   332_A     T   332_A      5    6   21      3    4    5    6    6    9   11   17   21   24   28   30   35   44   48   54   62   76   78   83 
LCS_GDT     R   333_A     R   333_A      5    6   21      3    4    5    6   10   11   13   20   24   32   33   38   44   49   55   60   70   76   78   83 
LCS_GDT     R   334_A     R   334_A      5    6   21      3    4    5    6    7   15   18   19   25   28   31   35   43   49   55   62   70   76   78   83 
LCS_GDT     S   335_A     S   335_A      5    6   21      3    4    6   11   14   16   19   22   25   32   36   41   45   49   55   60   70   75   78   83 
LCS_GDT     L   336_A     L   336_A      5    6   20      1    3   12   14   16   18   20   24   28   32   36   41   45   49   52   56   60   71   76   77 
LCS_GDT     T   337_A     T   337_A      3    6   20      3    3    5    6   11   17   20   24   28   30   33   41   45   49   51   55   60   71   72   77 
LCS_GDT     P   338_A     P   338_A      3    9   20      3    3    5    5    8   14   20   22   27   30   33   37   41   49   51   55   60   71   72   77 
LCS_GDT     M   339_A     M   339_A      6    9   15      5    9   10   13   16   18   20   24   28   32   36   41   45   49   55   62   70   76   78   83 
LCS_GDT     K   340_A     K   340_A      7    9   14      5    9   12   14   16   18   20   24   28   32   36   41   45   49   55   62   70   76   78   83 
LCS_GDT     I   341_A     I   341_A      7    9   14      5    9   12   14   16   18   20   22   28   32   36   41   45   49   55   60   70   75   78   83 
LCS_GDT     C   342_A     C   342_A      7    9   14      5    9   12   14   16   18   20   22   27   32   36   41   45   49   52   56   60   71   76   82 
LCS_GDT     F   343_A     F   343_A      7    9   14      5    9   12   14   16   18   20   22   27   29   31   37   45   49   51   55   60   65   76   83 
LCS_GDT     A   344_A     A   344_A      7    9   14      5    9   12   14   16   18   20   22   25   29   31   34   38   45   51   55   60   65   76   83 
LCS_GDT     V   345_A     V   345_A      7    9   14      3    4   10   14   16   18   20   22   27   29   31   34   38   45   48   55   60   67   76   84 
LCS_GDT     Q   346_A     Q   346_A      7    9   14      3    3   10   14   16   18   20   22   24   27   28   33   36   39   44   53   59   65   73   81 
LCS_AVERAGE  LCS_A:   8.94  (   3.68    6.50   16.63 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT     45     61     72     75     78     81     84     87     90     93     96     99    104    108    111    113    115    117    122    127 
GDT PERCENT_AT  13.04  17.68  20.87  21.74  22.61  23.48  24.35  25.22  26.09  26.96  27.83  28.70  30.14  31.30  32.17  32.75  33.33  33.91  35.36  36.81
GDT RMS_LOCAL    0.31   0.49   0.70   0.79   0.96   1.19   1.53   1.73   1.96   2.14   2.38   3.47   3.57   3.76   3.90   3.93   4.04   4.17   4.98   5.32
GDT RMS_ALL_AT  27.64  27.61  27.66  27.70  27.78  27.72  27.57  27.94  27.61  27.50  27.60  26.65  26.69  26.70  26.55  26.64  26.50  26.51  25.20  25.09

# Checking swapping
#   possible swapping detected:  Y    22_A      Y    22_A
#   possible swapping detected:  F    31_A      F    31_A
#   possible swapping detected:  F    32_A      F    32_A
#   possible swapping detected:  E    36_A      E    36_A
#   possible swapping detected:  F    57_A      F    57_A
#   possible swapping detected:  Y    61_A      Y    61_A
#   possible swapping detected:  D   105_A      D   105_A
#   possible swapping detected:  F   109_A      F   109_A
#   possible swapping detected:  F   114_A      F   114_A
#   possible swapping detected:  E   125_A      E   125_A
#   possible swapping detected:  F   129_A      F   129_A
#   possible swapping detected:  Y   134_A      Y   134_A
#   possible swapping detected:  F   148_A      F   148_A
#   possible swapping detected:  D   154_A      D   154_A
#   possible swapping detected:  F   158_A      F   158_A
#   possible swapping detected:  E   180_A      E   180_A
#   possible swapping detected:  E   191_A      E   191_A
#   possible swapping detected:  E   198_A      E   198_A
#   possible swapping detected:  Y   199_A      Y   199_A
#   possible swapping detected:  Y   217_A      Y   217_A
#   possible swapping detected:  D   245_A      D   245_A
#   possible swapping detected:  Y   260_A      Y   260_A
#   possible swapping detected:  D   289_A      D   289_A
#   possible swapping detected:  E   290_A      E   290_A
#   possible swapping detected:  Y   293_A      Y   293_A
#   possible swapping detected:  Y   301_A      Y   301_A
#   possible swapping detected:  F   313_A      F   313_A
#   possible swapping detected:  F   330_A      F   330_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     2_A      E     2_A    28.433     0    0.403   0.991    30.761    0.000    0.000
LGA    Q     3_A      Q     3_A    27.825     0    0.144   1.137    28.466    0.000    0.000
LGA    K     4_A      K     4_A    27.855     0    0.051   0.772    35.936    0.000    0.000
LGA    V     5_A      V     5_A    27.555     0    0.027   0.084    29.127    0.000    0.000
LGA    Y     6_A      Y     6_A    33.189     0    0.611   1.153    39.629    0.000    0.000
LGA    F     7_A      F     7_A    34.322     0    0.484   1.474    35.868    0.000    0.000
LGA    P     8_A      P     8_A    34.732     0    0.030   0.141    37.474    0.000    0.000
LGA    I     9_A      I     9_A    40.032     0    0.260   1.163    41.889    0.000    0.000
LGA    N    10_A      N    10_A    44.684     0    0.428   0.914    46.864    0.000    0.000
LGA    C    11_A      C    11_A    42.731     0    0.682   0.912    43.636    0.000    0.000
LGA    S    12_A      S    12_A    46.477     0    0.078   0.650    47.985    0.000    0.000
LGA    L    13_A      L    13_A    45.565     0    0.639   0.551    47.187    0.000    0.000
LGA    S    14_A      S    14_A    44.622     0    0.043   0.478    45.402    0.000    0.000
LGA    P    15_A      P    15_A    41.294     0    0.080   0.417    45.890    0.000    0.000
LGA    I    16_A      I    16_A    37.196     0    0.054   0.442    38.084    0.000    0.000
LGA    T    17_A      T    17_A    36.614     0    0.067   0.143    40.376    0.000    0.000
LGA    I    18_A      I    18_A    31.881     0    0.090   0.701    33.077    0.000    0.000
LGA    T    19_A      T    19_A    34.280     0    0.566   0.589    37.974    0.000    0.000
LGA    T    20_A      T    20_A    31.183     0    0.032   1.207    31.888    0.000    0.000
LGA    N    21_A      N    21_A    29.379     0    0.681   1.082    33.110    0.000    0.000
LGA    Y    22_A      Y    22_A    32.347     0    0.534   1.342    33.585    0.000    0.000
LGA    G    23_A      G    23_A    35.289     0    0.687   0.687    37.931    0.000    0.000
LGA    E    24_A      E    24_A    38.951     0    0.611   0.896    42.763    0.000    0.000
LGA    P    25_A      P    25_A    42.793     0    0.542   0.796    43.316    0.000    0.000
LGA    Y    26_A      Y    26_A    43.522     0    0.300   1.353    44.807    0.000    0.000
LGA    P    27_A      P    27_A    43.278     0    0.136   0.358    45.045    0.000    0.000
LGA    N    28_A      N    28_A    45.605     0    0.142   1.124    49.976    0.000    0.000
LGA    Q    29_A      Q    29_A    40.991     0    0.115   1.245    42.362    0.000    0.000
LGA    K    30_A      K    30_A    39.355     0    0.418   0.361    40.303    0.000    0.000
LGA    F    31_A      F    31_A    42.320     0    0.686   1.192    48.882    0.000    0.000
LGA    F    32_A      F    32_A    40.373     0    0.678   0.760    41.075    0.000    0.000
LGA    S    33_A      S    33_A    42.036     0    0.070   0.664    42.318    0.000    0.000
LGA    L    34_A      L    34_A    41.150     0    0.073   0.151    42.366    0.000    0.000
LGA    R    35_A      R    35_A    40.062     0    0.030   0.619    40.769    0.000    0.000
LGA    E    36_A      E    36_A    38.544     0    0.010   0.972    39.419    0.000    0.000
LGA    Q    37_A      Q    37_A    38.720     0    0.064   0.974    42.070    0.000    0.000
LGA    R    38_A      R    38_A    37.671     0    0.010   0.880    40.724    0.000    0.000
LGA    I    39_A      I    39_A    35.589     0    0.039   0.039    36.598    0.000    0.000
LGA    L    40_A      L    40_A    35.267     0    0.040   1.229    36.535    0.000    0.000
LGA    F    41_A      F    41_A    35.468     0    0.024   1.247    36.199    0.000    0.000
LGA    D    42_A      D    42_A    33.690     0    0.030   0.233    35.014    0.000    0.000
LGA    I    43_A      I    43_A    31.926     0    0.061   0.140    33.225    0.000    0.000
LGA    A    44_A      A    44_A    32.201     0    0.016   0.021    33.082    0.000    0.000
LGA    S    45_A      S    45_A    31.686     0    0.056   0.743    33.564    0.000    0.000
LGA    L    46_A      L    46_A    29.641     0    0.002   1.085    30.553    0.000    0.000
LGA    I    47_A      I    47_A    29.095     0    0.076   0.093    29.895    0.000    0.000
LGA    R    48_A      R    48_A    30.142     0    0.046   0.730    33.740    0.000    0.000
LGA    S    49_A      S    49_A    28.561     0    0.102   0.644    29.198    0.000    0.000
LGA    Y    50_A      Y    50_A    26.132     0    0.024   1.134    27.779    0.000    0.000
LGA    E    51_A      E    51_A    27.729     0    0.076   0.765    29.861    0.000    0.000
LGA    S    52_A      S    52_A    28.357     0    0.046   0.040    30.292    0.000    0.000
LGA    N    53_A      N    53_A    25.221     0    0.030   1.121    26.609    0.000    0.000
LGA    Y    54_A      Y    54_A    24.547     0    0.081   0.210    25.500    0.000    0.000
LGA    S    55_A      S    55_A    22.508     0    0.014   0.666    25.016    0.000    0.000
LGA    S    56_A      S    56_A    20.885     0    0.005   0.179    21.727    0.000    0.000
LGA    F    57_A      F    57_A    20.782     0    0.010   0.061    24.139    0.000    0.000
LGA    K    58_A      K    58_A    20.093     0    0.044   0.412    21.187    0.000    0.000
LGA    Q    59_A      Q    59_A    17.873     0    0.040   1.014    20.205    0.000    0.000
LGA    N    60_A      N    60_A    16.303     0    0.116   0.567    17.387    0.000    0.000
LGA    Y    61_A      Y    61_A    16.546     0    0.115   0.137    17.990    0.000    0.000
LGA    P    62_A      P    62_A    16.865     0    0.039   0.051    18.188    0.000    0.000
LGA    N    63_A      N    63_A    17.223     0    0.058   1.084    19.176    0.000    0.000
LGA    L    64_A      L    64_A    19.916     0    0.109   1.281    21.159    0.000    0.000
LGA    P    65_A      P    65_A    23.797     0    0.482   0.477    26.797    0.000    0.000
LGA    Q    66_A      Q    66_A    25.213     0    0.324   1.144    29.463    0.000    0.000
LGA    N    67_A      N    67_A    26.291     0    0.590   0.904    26.291    0.000    0.000
LGA    L    68_A      L    68_A    26.028     0    0.363   0.934    28.749    0.000    0.000
LGA    S    69_A      S    69_A    29.611     0    0.138   0.146    31.003    0.000    0.000
LGA    S    70_A      S    70_A    27.478     0    0.597   0.933    27.958    0.000    0.000
LGA    I    71_A      I    71_A    24.077     0    0.026   0.648    24.996    0.000    0.000
LGA    T    72_A      T    72_A    23.012     0    0.091   1.177    25.760    0.000    0.000
LGA    N    73_A      N    73_A    28.029     0    0.048   0.779    30.743    0.000    0.000
LGA    R    74_A      R    74_A    29.296     0    0.018   0.617    30.829    0.000    0.000
LGA    I    75_A      I    75_A    28.056     0    0.029   0.109    30.906    0.000    0.000
LGA    L    76_A      L    76_A    30.697     0    0.042   1.383    34.378    0.000    0.000
LGA    L    77_A      L    77_A    35.537     0    0.032   0.994    40.363    0.000    0.000
LGA    L    78_A      L    78_A    35.058     0    0.075   1.363    37.529    0.000    0.000
LGA    E    79_A      E    79_A    35.525     0    0.046   1.131    39.127    0.000    0.000
LGA    F    80_A      F    80_A    40.149     0    0.019   0.100    47.354    0.000    0.000
LGA    I    81_A      I    81_A    43.493     0    0.011   0.143    45.996    0.000    0.000
LGA    V    82_A      V    82_A    42.587     0    0.058   0.093    45.402    0.000    0.000
LGA    N    83_A      N    83_A    44.145     0    0.106   0.838    47.013    0.000    0.000
LGA    T    84_A      T    84_A    47.347     0    0.637   0.582    50.901    0.000    0.000
LGA    N    85_A      N    85_A    49.564     0    0.425   0.486    52.192    0.000    0.000
LGA    P    86_A      P    86_A    53.264     0    0.028   0.356    55.106    0.000    0.000
LGA    Q    87_A      Q    87_A    56.987     0    0.120   0.929    63.557    0.000    0.000
LGA    K    88_A      K    88_A    52.111     0    0.256   1.018    53.357    0.000    0.000
LGA    L    89_A      L    89_A    51.266     0    0.620   0.671    53.892    0.000    0.000
LGA    N    90_A      N    90_A    57.396     0    0.176   0.695    59.287    0.000    0.000
LGA    F    91_A      F    91_A    57.537     0    0.573   1.327    58.363    0.000    0.000
LGA    A    92_A      A    92_A    53.091     0    0.310   0.316    54.946    0.000    0.000
LGA    R    93_A      R    93_A    52.846     0    0.016   0.707    54.511    0.000    0.000
LGA    S    94_A      S    94_A    57.288     0    0.049   0.059    61.661    0.000    0.000
LGA    K    95_A      K    95_A    52.781     0    0.019   0.984    54.397    0.000    0.000
LGA    I    96_A      I    96_A    46.718     0    0.017   0.058    49.133    0.000    0.000
LGA    L    97_A      L    97_A    49.895     0    0.032   1.259    52.321    0.000    0.000
LGA    S    98_A      S    98_A    52.047     0    0.052   0.089    56.134    0.000    0.000
LGA    D    99_A      D    99_A    45.464     0    0.053   0.099    47.856    0.000    0.000
LGA    R   100_A      R   100_A    42.718     0    0.062   0.697    43.903    0.000    0.000
LGA    S   101_A      S   101_A    47.462     0    0.016   0.734    50.954    0.000    0.000
LGA    K   102_A      K   102_A    44.414     0    0.018   1.423    45.601    0.000    0.000
LGA    L   103_A      L   103_A    37.721     0    0.040   0.645    40.321    0.000    0.000
LGA    I   104_A      I   104_A    39.394     0    0.051   0.169    46.060    0.000    0.000
LGA    D   105_A      D   105_A    41.354     0    0.546   1.114    45.673    0.000    0.000
LGA    K   106_A      K   106_A    35.553     0    0.606   0.924    37.795    0.000    0.000
LGA    S   107_A      S   107_A    32.753     0    0.042   0.081    34.219    0.000    0.000
LGA    N   108_A      N   108_A    27.683     0    0.145   0.401    31.926    0.000    0.000
LGA    F   109_A      F   109_A    25.284     0    0.646   1.241    30.428    0.000    0.000
LGA    K   110_A      K   110_A    19.455     0    0.021   0.935    21.349    0.000    0.000
LGA    Y   111_A      Y   111_A    15.487     0    0.111   1.419    17.038    0.000    0.000
LGA    I   112_A      I   112_A     9.756     0    0.686   0.772    11.744    2.024    1.548
LGA    S   113_A      S   113_A     5.466     0    0.202   0.636     6.830   31.548   32.460
LGA    F   114_A      F   114_A     2.153     0    0.103   1.117     8.064   59.167   38.052
LGA    H   115_A      H   115_A     1.496     0    0.054   1.193     5.738   79.286   57.619
LGA    P   116_A      P   116_A     1.140     0    0.576   0.513     3.506   69.762   74.762
LGA    G   117_A      G   117_A     0.896     0    0.035   0.035     1.000   88.214   88.214
LGA    V   118_A      V   118_A     0.499     0    0.061   0.119     0.806   92.857   93.197
LGA    D   119_A      D   119_A     1.020     0    0.061   1.023     4.935   83.690   67.619
LGA    I   120_A      I   120_A     1.043     0    0.571   1.074     3.438   73.571   69.464
LGA    N   121_A      N   121_A     1.279     0    0.271   0.813     4.498   70.000   62.738
LGA    Y   122_A      Y   122_A     1.787     0    0.503   0.415     5.649   75.119   51.865
LGA    G   123_A      G   123_A     3.481     0    0.123   0.123     3.481   59.405   59.405
LGA    S   124_A      S   124_A     4.592     0    0.698   0.613     5.348   28.810   27.937
LGA    E   125_A      E   125_A     6.976     0    0.598   0.798    10.623   16.190    8.254
LGA    N   126_A      N   126_A     5.410     0    0.601   0.574     7.574   25.476   19.226
LGA    Q   127_A      Q   127_A     1.128     0    0.372   0.552     4.718   81.786   65.503
LGA    D   128_A      D   128_A     0.503     0    0.251   1.086     5.062   90.476   68.036
LGA    F   129_A      F   129_A     0.630     0    0.028   0.116     1.711   88.214   85.584
LGA    G   130_A      G   130_A     1.165     0    0.012   0.012     1.399   83.690   83.690
LGA    L   131_A      L   131_A     1.116     0    0.034   1.335     2.734   85.952   77.619
LGA    P   132_A      P   132_A     1.007     0    0.021   0.282     2.169   83.690   80.340
LGA    V   133_A      V   133_A     0.750     0    0.027   0.045     0.793   90.476   90.476
LGA    Y   134_A      Y   134_A     0.929     0    0.041   1.324     6.473   88.214   67.063
LGA    A   135_A      A   135_A     0.899     0    0.028   0.031     1.067   85.952   86.857
LGA    V   136_A      V   136_A     0.952     0    0.021   1.109     3.563   88.214   78.639
LGA    T   137_A      T   137_A     0.932     0    0.088   0.174     1.809   90.476   85.374
LGA    D   138_A      D   138_A     0.970     0    0.037   0.103     1.785   90.476   83.810
LGA    G   139_A      G   139_A     0.827     0    0.031   0.031     0.955   90.476   90.476
LGA    V   140_A      V   140_A     0.718     0    0.025   1.116     2.956   90.476   80.952
LGA    V   141_A      V   141_A     0.743     0    0.028   0.037     0.754   90.476   90.476
LGA    I   142_A      I   142_A     0.790     0    0.163   1.511     4.459   88.214   77.262
LGA    N   143_A      N   143_A     0.633     0    0.036   0.763     3.742   90.476   75.179
LGA    A   144_A      A   144_A     0.419     0    0.054   0.072     0.478  100.000  100.000
LGA    S   145_A      S   145_A     0.622     0    0.115   0.110     1.472   88.333   86.032
LGA    R   146_A      R   146_A     1.636     0    0.146   1.248     4.472   69.048   66.840
LGA    H   147_A      H   147_A     2.745     0    0.243   1.068     7.741   69.405   42.810
LGA    F   148_A      F   148_A     4.935     0    0.631   1.167    10.203   34.286   14.632
LGA    C   149_A      C   149_A     3.826     0    0.129   0.229     5.984   40.476   34.921
LGA    S   150_A      S   150_A     5.653     0    0.032   0.199     6.128   25.119   23.175
LGA    A   151_A      A   151_A     7.091     0    0.405   0.423     9.398    7.381    9.333
LGA    S   152_A      S   152_A    10.389     0    0.186   0.708    12.844    0.714    0.476
LGA    C   153_A      C   153_A    10.038     0    0.138   0.550    10.038    1.667    2.143
LGA    D   154_A      D   154_A    10.704     0    0.367   1.119    15.188    0.238    0.119
LGA    C   155_A      C   155_A     7.305     0    0.624   0.966     7.742   16.429   14.841
LGA    S   156_A      S   156_A     6.275     0    0.072   0.130     7.281   29.286   22.857
LGA    G   157_A      G   157_A     1.399     0    0.498   0.498     2.943   79.881   79.881
LGA    F   158_A      F   158_A     0.303     0    0.104   0.212     1.351   97.619   92.338
LGA    V   159_A      V   159_A     0.162     0    0.036   0.065     0.435  100.000  100.000
LGA    A   160_A      A   160_A     0.770     0    0.060   0.091     1.004   92.857   90.571
LGA    V   161_A      V   161_A     1.233     0    0.089   0.084     1.649   79.286   80.204
LGA    E   162_A      E   162_A     1.048     0    0.081   0.585     2.082   83.690   79.735
LGA    H   163_A      H   163_A     1.396     0    0.128   1.125     7.428   81.429   53.238
LGA    R   164_A      R   164_A     2.330     0    0.117   1.105     3.696   57.738   58.788
LGA    C   165_A      C   165_A     4.240     0    0.074   0.738     5.149   36.190   36.508
LGA    Q   166_A      Q   166_A     5.547     0    0.104   1.016     9.459   25.119   13.862
LGA    N   167_A      N   167_A     4.527     0    0.064   1.119     5.966   32.857   27.738
LGA    K   168_A      K   168_A     4.218     0    0.058   0.959    10.425   45.357   28.730
LGA    I   169_A      I   169_A     2.147     0    0.030   0.496     3.080   63.095   68.274
LGA    F   170_A      F   170_A     0.528     0    0.083   1.145     5.754   90.476   65.065
LGA    Y   171_A      Y   171_A     0.918     0    0.124   0.205     1.664   88.214   82.976
LGA    A   172_A      A   172_A     1.409     0    0.051   0.068     1.545   81.429   79.714
LGA    L   173_A      L   173_A     1.072     0    0.041   1.359     4.842   83.690   67.619
LGA    Y   174_A      Y   174_A     0.312     0    0.043   0.096     0.741  100.000   94.444
LGA    G   175_A      G   175_A     0.205     0    0.011   0.011     0.320  100.000  100.000
LGA    H   176_A      H   176_A     0.192     0    0.014   0.090     0.488  100.000  100.000
LGA    V   177_A      V   177_A     0.125     0    0.022   0.060     0.243  100.000  100.000
LGA    V   178_A      V   178_A     0.140     0    0.083   0.196     0.658   97.619   98.639
LGA    P   179_A      P   179_A     0.206     0    0.049   0.184     0.479  100.000  100.000
LGA    E   180_A      E   180_A     0.357     0    0.309   0.325     1.594   90.833   93.810
LGA    A   181_A      A   181_A     0.721     0    0.049   0.061     0.737   90.476   90.476
LGA    N   182_A      N   182_A     0.668     0    0.041   0.227     1.614   90.476   87.143
LGA    I   183_A      I   183_A     0.758     0    0.046   0.205     1.091   92.857   90.536
LGA    G   184_A      G   184_A     0.754     0    0.062   0.062     0.861   90.476   90.476
LGA    K   185_A      K   185_A     0.762     0    0.023   0.503     1.705   90.476   85.503
LGA    K   186_A      K   186_A     1.043     0    0.047   0.777     3.906   81.429   66.720
LGA    V   187_A      V   187_A     0.933     0    0.060   1.110     2.782   85.952   78.367
LGA    K   188_A      K   188_A     1.025     0    0.021   1.014     4.386   83.690   73.439
LGA    A   189_A      A   189_A     1.354     0    0.025   0.027     1.613   81.429   79.714
LGA    G   190_A      G   190_A     1.268     0    0.090   0.090     1.323   81.429   81.429
LGA    E   191_A      E   191_A     1.003     0    0.028   0.246     1.644   85.952   85.503
LGA    R   192_A      R   192_A     0.716     0    0.062   1.176     5.470   95.238   75.022
LGA    I   193_A      I   193_A     0.548     0    0.067   0.084     1.064   92.857   90.536
LGA    A   194_A      A   194_A     0.573     0    0.013   0.013     0.664   90.476   90.476
LGA    S   195_A      S   195_A     0.780     0    0.044   0.704     1.515   92.857   87.619
LGA    I   196_A      I   196_A     0.477     0    0.031   0.229     0.813   92.857   92.857
LGA    G   197_A      G   197_A     0.486     0    0.103   0.103     0.989   92.857   92.857
LGA    E   198_A      E   198_A     2.263     0    0.547   0.900     2.679   62.976   66.667
LGA    Y   199_A      Y   199_A     5.367     0    0.556   0.772    13.874   21.310    9.325
LGA    K   200_A      K   200_A     5.826     0    0.612   0.879    10.403   17.262   11.640
LGA    C   201_A      C   201_A     6.283     0    0.559   1.022     6.732   16.310   18.095
LGA    N   202_A      N   202_A     4.371     0    0.665   0.773     5.951   34.405   31.845
LGA    S   203_A      S   203_A     6.077     0    0.237   0.535     6.678   19.524   18.095
LGA    T   204_A      T   204_A     2.962     0    0.051   1.289     4.093   59.524   54.626
LGA    S   205_A      S   205_A     1.390     0    0.375   0.393     1.984   77.143   78.571
LGA    H   206_A      H   206_A     0.482     0    0.103   1.451     6.569   97.619   66.619
LGA    L   207_A      L   207_A     0.573     0    0.044   0.097     1.153   90.476   88.214
LGA    H   208_A      H   208_A     0.752     0    0.052   0.947     2.644   88.214   83.571
LGA    L   209_A      L   209_A     1.097     0    0.018   0.110     1.832   83.690   80.417
LGA    E   210_A      E   210_A     1.671     0    0.069   0.748     3.531   81.548   68.201
LGA    I   211_A      I   211_A     1.904     0    0.120   0.597     2.302   70.833   70.833
LGA    T   212_A      T   212_A     1.575     0    0.024   0.970     3.793   75.000   68.707
LGA    L   213_A      L   213_A     1.220     0    0.543   1.377     3.449   77.262   74.345
LGA    K   214_A      K   214_A     2.207     0    0.486   0.703    10.940   68.929   38.519
LGA    N   215_A      N   215_A     3.429     0    0.356   0.892     5.528   40.000   44.167
LGA    I   216_A      I   216_A     6.763     0    0.573   0.797     9.578   11.190   10.119
LGA    Y   217_A      Y   217_A    10.314     0    0.621   0.922    14.940    0.714   19.921
LGA    S   218_A      S   218_A    16.772     0    0.103   0.624    18.150    0.000    0.000
LGA    N   219_A      N   219_A    21.689     0    0.023   1.170    25.742    0.000    0.000
LGA    F   220_A      F   220_A    21.457     0    0.686   0.736    25.605    0.000    0.000
LGA    P   221_A      P   221_A    22.862     0    0.573   0.652    24.176    0.000    0.000
LGA    K   222_A      K   222_A    28.082     0    0.336   0.849    32.208    0.000    0.000
LGA    N   223_A      N   223_A    26.304     0    0.053   0.148    31.281    0.000    0.000
LGA    Y   224_A      Y   224_A    20.192     0    0.695   0.862    22.475    0.000    0.000
LGA    P   225_A      P   225_A    18.880     0    0.645   0.560    20.582    0.000    0.000
LGA    R   226_A      R   226_A    22.675     0    0.679   1.567    30.038    0.000    0.000
LGA    N   227_A      N   227_A    19.565     0    0.101   0.950    22.660    0.000    0.000
LGA    M   228_A      M   228_A    16.825     0    0.147   0.267    22.431    0.000    0.000
LGA    Y   229_A      Y   229_A    12.013     0    0.134   1.359    13.669    0.000    1.706
LGA    K   230_A      K   230_A    16.386     0    0.227   0.581    23.375    0.000    0.000
LGA    D   231_A      D   231_A    14.020     0    0.097   1.262    14.282    0.000    0.000
LGA    K   232_A      K   232_A    11.615     0    0.593   0.777    14.702    0.000    7.884
LGA    G   233_A      G   233_A    16.994     0    0.654   0.654    17.001    0.000    0.000
LGA    L   234_A      L   234_A    17.128     0    0.653   1.338    21.093    0.000    0.000
LGA    N   235_A      N   235_A    19.439     0    0.582   1.331    21.696    0.000    0.000
LGA    L   236_A      L   236_A    24.686     0    0.075   0.177    28.154    0.000    0.000
LGA    A   237_A      A   237_A    25.851     0    0.023   0.026    27.263    0.000    0.000
LGA    Y   238_A      Y   238_A    23.429     0    0.028   1.343    25.460    0.000    0.000
LGA    I   239_A      I   239_A    25.748     0    0.008   0.664    29.163    0.000    0.000
LGA    A   240_A      A   240_A    31.251     0    0.028   0.034    33.495    0.000    0.000
LGA    A   241_A      A   241_A    30.946     0    0.009   0.009    32.514    0.000    0.000
LGA    I   242_A      I   242_A    29.429     0    0.030   0.098    32.636    0.000    0.000
LGA    L   243_A      L   243_A    34.277     0    0.287   1.102    38.777    0.000    0.000
LGA    Y   244_A      Y   244_A    38.753     0    0.019   1.381    42.973    0.000    0.000
LGA    D   245_A      D   245_A    41.180     0    0.119   1.304    44.922    0.000    0.000
LGA    I   246_A      I   246_A    42.742     0    0.082   1.203    47.192    0.000    0.000
LGA    L   247_A      L   247_A    46.350     0    0.125   0.653    50.878    0.000    0.000
LGA    N   248_A      N   248_A    50.429     0    0.136   1.319    54.455    0.000    0.000
LGA    T   249_A      T   249_A    52.563     0    0.137   1.209    55.547    0.000    0.000
LGA    T   250_A      T   250_A    54.660     0    0.096   1.133    56.063    0.000    0.000
LGA    T   251_A      T   251_A    59.681     0    0.209   0.218    62.708    0.000    0.000
LGA    S   252_A      S   252_A    59.984     0    0.536   0.805    60.121    0.000    0.000
LGA    S   253_A      S   253_A    56.853     0    0.055   0.713    58.322    0.000    0.000
LGA    T   254_A      T   254_A    53.653     0    0.648   0.799    54.592    0.000    0.000
LGA    Q   255_A      Q   255_A    48.758     0    0.067   1.070    51.643    0.000    0.000
LGA    Y   256_A      Y   256_A    42.406     0    0.061   1.246    44.680    0.000    0.000
LGA    C   257_A      C   257_A    38.496     0    0.036   0.746    41.817    0.000    0.000
LGA    L   258_A      L   258_A    31.793     0    0.084   1.065    34.296    0.000    0.000
LGA    D   259_A      D   259_A    28.253     0    0.092   0.310    29.416    0.000    0.000
LGA    Y   260_A      Y   260_A    24.403     0    0.151   1.365    26.221    0.000    0.000
LGA    K   261_A      K   261_A    21.053     0    0.122   1.185    24.492    0.000    0.000
LGA    Y   262_A      Y   262_A    19.342     0    0.034   1.531    20.762    0.000    0.000
LGA    Y   263_A      Y   263_A    19.330     0    0.053   1.100    28.008    0.000    0.000
LGA    I   264_A      I   264_A    15.329     0    0.225   1.352    17.082    0.000    0.000
LGA    N   265_A      N   265_A    13.203     0    0.198   0.699    16.059    0.000    0.000
LGA    S   266_A      S   266_A    14.706     0    0.173   0.701    16.294    0.000    0.000
LGA    F   267_A      F   267_A    12.439     0    0.626   0.465    16.370    0.119    0.043
LGA    M   268_A      M   268_A    11.242     0    0.666   1.214    13.479    0.000    0.000
LGA    D   269_A      D   269_A    16.548     0    0.143   0.633    21.330    0.000    0.000
LGA    P   270_A      P   270_A    16.668     0    0.173   0.426    17.951    0.000    0.000
LGA    N   271_A      N   271_A    21.030     0    0.037   0.315    23.639    0.000    0.000
LGA    E   272_A      E   272_A    19.418     0    0.177   1.072    20.002    0.000    0.000
LGA    S   273_A      S   273_A    19.029     0    0.396   0.656    20.213    0.000    0.000
LGA    W   274_A      W   274_A    16.021     0    0.095   1.334    22.676    0.000    0.000
LGA    N   275_A      N   275_A    16.011     0    0.099   0.800    17.811    0.000    0.000
LGA    F   276_A      F   276_A    13.840     0    0.611   1.472    14.198    0.000    0.000
LGA    F   277_A      F   277_A    15.805     0    0.072   1.183    19.263    0.000    0.000
LGA    G   278_A      G   278_A    19.019     0    0.608   0.608    19.019    0.000    0.000
LGA    K   279_A      K   279_A    18.781     0    0.326   0.823    20.866    0.000    0.000
LGA    N   280_A      N   280_A    18.867     0    0.537   1.498    18.867    0.000    0.000
LGA    N   281_A      N   281_A    19.881     0    0.047   0.774    21.115    0.000    0.000
LGA    P   282_A      P   282_A    20.840     0    0.069   0.314    22.992    0.000    0.000
LGA    Y   283_A      Y   283_A    21.539     0    0.191   1.287    31.051    0.000    0.000
LGA    T   284_A      T   284_A    16.290     0    0.576   0.563    17.839    0.000    0.000
LGA    Q   285_A      Q   285_A    18.271     0    0.488   0.785    23.073    0.000    0.000
LGA    A   286_A      A   286_A    17.491     0    0.623   0.619    17.862    0.000    0.000
LGA    T   287_A      T   287_A    16.439     0    0.672   0.635    18.817    0.000    0.000
LGA    S   288_A      S   288_A    15.529     0    0.131   0.657    17.449    0.000    0.000
LGA    D   289_A      D   289_A    21.569     0    0.273   0.917    25.008    0.000    0.000
LGA    E   290_A      E   290_A    19.074     0    0.578   1.104    20.588    0.000    0.000
LGA    V   291_A      V   291_A    17.532     0    0.173   1.180    19.964    0.000    0.000
LGA    F   292_A      F   292_A    18.241     0    0.302   1.354    25.544    0.000    0.000
LGA    Y   293_A      Y   293_A    16.507     0    0.570   1.421    19.365    0.000    0.000
LGA    G   294_A      G   294_A    10.086     0    0.261   0.261    12.056    0.119    0.119
LGA    G   295_A      G   295_A    12.133     0    0.546   0.546    12.873    0.000    0.000
LGA    S   296_A      S   296_A    13.210     0    0.129   0.676    14.408    0.000    0.000
LGA    Y   297_A      Y   297_A    11.099     0    0.135   0.932    12.795    0.000    0.159
LGA    A   298_A      A   298_A     9.972     0    0.067   0.078    10.513    0.119    0.190
LGA    K   299_A      K   299_A    12.257     0    0.109   0.810    19.307    0.000    0.000
LGA    Y   300_A      Y   300_A    12.068     0    0.031   0.696    18.497    0.000    0.000
LGA    Y   301_A      Y   301_A     8.387     0    0.094   0.416    13.043    4.881    2.619
LGA    G   302_A      G   302_A     8.778     0    0.565   0.565     8.778    3.333    3.333
LGA    Y   303_A      Y   303_A     9.663     0    0.023   1.100    10.645    0.476    0.714
LGA    I   304_A      I   304_A    10.769     0    0.665   1.439    12.814    0.000    0.060
LGA    E   305_A      E   305_A    16.918     0    0.584   1.576    22.421    0.000    0.000
LGA    P   306_A      P   306_A    21.473     0    0.054   0.067    22.884    0.000    0.000
LGA    L   307_A      L   307_A    22.134     0    0.468   1.560    22.711    0.000    0.000
LGA    N   308_A      N   308_A    23.704     0    0.361   0.430    26.359    0.000    0.000
LGA    F   309_A      F   309_A    21.797     0    0.127   1.023    23.702    0.000    0.000
LGA    L   310_A      L   310_A    26.775     0    0.136   0.261    30.433    0.000    0.000
LGA    R   311_A      R   311_A    25.821     0    0.139   0.940    25.902    0.000    0.000
LGA    S   312_A      S   312_A    23.980     0    0.248   0.707    25.894    0.000    0.000
LGA    F   313_A      F   313_A    27.254     0    0.516   1.023    29.942    0.000    0.000
LGA    G   314_A      G   314_A    31.697     0    0.110   0.110    33.159    0.000    0.000
LGA    Q   315_A      Q   315_A    31.006     0    0.440   0.990    33.534    0.000    0.000
LGA    N   316_A      N   316_A    37.176     0    0.245   0.693    40.190    0.000    0.000
LGA    K   317_A      K   317_A    37.841     0    0.359   1.091    42.152    0.000    0.000
LGA    V   318_A      V   318_A    34.885     0    0.066   0.198    37.929    0.000    0.000
LGA    Y   319_A      Y   319_A    36.544     0    0.091   1.203    39.657    0.000    0.000
LGA    S   320_A      S   320_A    38.257     0    0.054   0.770    42.644    0.000    0.000
LGA    P   321_A      P   321_A    34.026     0    0.061   0.077    36.053    0.000    0.000
LGA    V   322_A      V   322_A    37.648     0    0.091   1.258    41.172    0.000    0.000
LGA    T   323_A      T   323_A    40.153     0    0.142   0.139    44.241    0.000    0.000
LGA    Q   324_A      Q   324_A    34.803     0    0.288   0.595    36.523    0.000    0.000
LGA    S   325_A      S   325_A    33.017     0    0.605   0.882    33.753    0.000    0.000
LGA    L   326_A      L   326_A    34.459     0    0.627   0.522    37.076    0.000    0.000
LGA    C   327_A      C   327_A    36.582     0    0.225   0.889    37.356    0.000    0.000
LGA    P   328_A      P   328_A    37.415     0    0.483   0.654    38.762    0.000    0.000
LGA    N   329_A      N   329_A    37.713     0    0.281   0.889    38.791    0.000    0.000
LGA    F   330_A      F   330_A    37.460     0    0.551   1.356    37.460    0.000    0.000
LGA    N   331_A      N   331_A    38.537     0    0.045   1.048    40.180    0.000    0.000
LGA    T   332_A      T   332_A    41.098     0    0.175   1.142    42.147    0.000    0.000
LGA    R   333_A      R   333_A    43.345     0    0.368   1.414    52.047    0.000    0.000
LGA    R   334_A      R   334_A    39.410     0    0.356   1.351    41.152    0.000    0.000
LGA    S   335_A      S   335_A    39.828     0    0.486   0.798    41.850    0.000    0.000
LGA    L   336_A      L   336_A    38.031     0    0.682   1.166    40.320    0.000    0.000
LGA    T   337_A      T   337_A    34.718     0    0.577   0.722    36.420    0.000    0.000
LGA    P   338_A      P   338_A    34.338     0    0.043   0.228    35.950    0.000    0.000
LGA    M   339_A      M   339_A    33.887     0    0.632   0.868    38.729    0.000    0.000
LGA    K   340_A      K   340_A    34.301     0    0.058   0.929    41.684    0.000    0.000
LGA    I   341_A      I   341_A    35.573     0    0.031   0.661    37.024    0.000    0.000
LGA    C   342_A      C   342_A    41.057     0    0.067   0.132    43.280    0.000    0.000
LGA    F   343_A      F   343_A    43.252     0    0.052   0.138    45.699    0.000    0.000
LGA    A   344_A      A   344_A    49.632     0    0.022   0.050    51.730    0.000    0.000
LGA    V   345_A      V   345_A    52.559     0    0.116   1.018    56.476    0.000    0.000
LGA    Q   346_A      Q   346_A    58.430     0    0.528   1.093    61.838    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      345    1380   1380  100.00    2795   2795  100.00               345
SUMMARY(RMSD_GDC):    20.975         20.906                 21.384           21.326   19.675

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  346  345    4.0     87    1.73    24.348    20.215     4.741

LGA_LOCAL      RMSD:   1.735  Number of atoms:   87  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  27.941  Number of assigned atoms:  345 
Std_ASGN_ATOMS RMSD:  20.975  Standard rmsd on all 345 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.259538 * X  +  -0.946289 * Y  +  -0.192814 * Z  + -15.173064
  Y_new =   0.965724 * X  +  -0.255175 * Y  +  -0.047575 * Z  +  -8.835906
  Z_new =  -0.004182 * X  +  -0.198553 * Y  +   0.980081 * Z  +  35.807625 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.833343  0.004182 -0.199883   [DEG:  105.0428    0.2396  -11.4524 ]
ZXZ: -1.328890  0.199926 -3.120533   [DEG:  -76.1398   11.4549 -178.7934 ]
 
# END of job
