
#######################################################
#                                                     #
#                        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  207 ( 1714),  selected  207 , name one
# Molecule2: number of CA atoms  207 ( 1714),  selected  207 , 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:    99      74_A - 172_A       4.99    15.01
  LCS_AVERAGE:     33.49

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    33      54_A - 86_A        1.97    18.58
  LCS_AVERAGE:      8.96

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    23     152_A - 174_A       0.88    16.50
  LONGEST_CONTINUOUS_SEGMENT:    23     153_A - 175_A       0.90    16.99
  LONGEST_CONTINUOUS_SEGMENT:    23     154_A - 176_A       0.98    17.32
  LCS_AVERAGE:      5.82

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  207
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     G     1_A     G     1_A      3    4   16      0    3    3    3    3    5    6   10   10   12   15   18   20   23   27   28   29   29   30   31 
LCS_GDT     I     2_A     I     2_A      3    4   16      3    3    3    4    5    8    9   10   11   13   15   18   20   23   27   28   29   29   30   31 
LCS_GDT     D     3_A     D     3_A      3    7   16      3    3    4    7    7    8    9   10   12   13   15   17   19   24   27   31   36   41   46   50 
LCS_GDT     P     4_A     P     4_A      4    7   16      3    4    4    7    7    8    9   10   12   20   24   27   28   29   33   37   59   67   73   79 
LCS_GDT     F     5_A     F     5_A      4    7   16      3    4    4    7    7    8    9   10   15   16   20   21   24   28   32   32   37   67   73   79 
LCS_GDT     T     6_A     T     6_A      4    7   16      4    4    4    7    7    8    9   10   12   13   15   20   22   28   32   32   37   41   73   79 
LCS_GDT     W     7_A     W     7_A      4    7   16      4    4    4    7    7    8    9   10   12   19   27   39   40   44   46   53   59   67   73   85 
LCS_GDT     G     8_A     G     8_A      4    7   16      4    4    4    7    7    8    9   21   22   24   26   29   33   39   43   46   59   67   78   94 
LCS_GDT     F     9_A     F     9_A      4    7   16      4    4    4    7    7    8    9   16   20   22   28   33   34   38   40   42   46   51   53   69 
LCS_GDT     G    10_A     G    10_A      4    6   16      4    4    4    5    7   10   14   17   21   24   29   33   39   44   47   50   52   55   58   72 
LCS_GDT     G    11_A     G    11_A      4    6   16      4    4    4    5    6    8    8   10   15   16   29   32   39   52   56   59   68   79   92  106 
LCS_GDT     S    12_A     S    12_A      4    6   16      4    4    4    5    7   10   13   19   22   28   31   40   43   52   56   70   82   94  108  116 
LCS_GDT     S    13_A     S    13_A      4    6   24      4    4    4    5    7   13   14   18   22   24   31   40   44   52   56   65   72   81   92  110 
LCS_GDT     K    14_A     K    14_A      3    6   24      3    3    3    4    6   13   14   18   22   28   35   41   44   52   59   67   78   97  109  123 
LCS_GDT     E    15_A     E    15_A      5    6   24      4    5    5    6   10   13   15   18   22   28   35   41   44   52   60   76   99  112  119  125 
LCS_GDT     K    16_A     K    16_A      5    6   25      4    5    5    6    9   13   15   16   22   28   31   40   43   56   82   97  106  113  120  125 
LCS_GDT     P    17_A     P    17_A      5   15   25      4    5    5    6   11   15   15   19   22   28   31   40   44   61   81   95  106  113  120  125 
LCS_GDT     N    18_A     N    18_A     14   15   25      4   11   13   14   15   17   18   19   20   24   26   32   42   44   59   77   97  112  120  125 
LCS_GDT     Y    19_A     Y    19_A     14   15   25      6   11   13   14   15   17   18   19   19   21   25   36   41   44   55   92  103  112  120  125 
LCS_GDT     D    20_A     D    20_A     14   15   25      4   11   13   14   15   17   18   19   19   19   21   22   26   28   47   53   57   77   98  109 
LCS_GDT     Y    21_A     Y    21_A     14   15   25      6   11   13   14   15   17   18   19   23   26   46   61   70   83   91   98  104  110  118  123 
LCS_GDT     S    22_A     S    22_A     14   15   25      6   11   13   14   15   17   18   19   19   19   21   22   46   54   73   84   97  103  110  114 
LCS_GDT     A    23_A     A    23_A     14   15   25      7   11   13   14   15   17   18   19   19   19   21   22   26   28   58   84   97  103  110  114 
LCS_GDT     D    24_A     D    24_A     14   15   25      7   11   13   14   15   17   18   27   34   45   60   70   79   88   94  100  105  113  121  126 
LCS_GDT     K    25_A     K    25_A     14   15   25      7   11   13   14   20   26   30   34   40   44   59   68   74   83   89   98  103  108  112  116 
LCS_GDT     K    26_A     K    26_A     14   15   25      7   11   15   19   23   26   30   32   38   43   47   59   65   69   84   92   97  103  110  114 
LCS_GDT     L    27_A     L    27_A     14   15   25      7   11   13   14   15   22   29   34   44   52   60   68   77   83   91   98  104  108  114  117 
LCS_GDT     I    28_A     I    28_A     14   15   25      7   11   13   14   15   17   18   19   22   36   49   54   59   80   90   98  103  108  112  117 
LCS_GDT     E    29_A     E    29_A     14   15   25      7   11   13   14   15   17   18   19   22   24   27   28   31   34   60   74   85   97  106  110 
LCS_GDT     I    30_A     I    30_A     14   15   25      6   10   13   14   15   17   18   19   22   24   27   28   55   64   72   84   91  103  106  111 
LCS_GDT     N    31_A     N    31_A     14   15   25      3    6   11   14   15   17   18   19   22   24   27   28   31   64   72   84   95  103  110  114 
LCS_GDT     T    32_A     T    32_A      4   15   25      3    4    5    7    7   16   16   17   17   19   20   22   30   34   39   43   46   49   51   60 
LCS_GDT     R    33_A     R    33_A      5    8   25      3    6    6    7    7   10   12   17   22   24   27   28   31   34   39   43   78   90   99  104 
LCS_GDT     P    34_A     P    34_A      5    8   25      3    6    6    7    9   11   14   17   22   24   27   28   31   34   39   43   48   53   99  106 
LCS_GDT     I    35_A     I    35_A      5    8   25      3    6    6    7    7   11   13   17   22   24   49   54   59   66   78   97  101  105  111  117 
LCS_GDT     S    36_A     S    36_A      5    8   25      3    6    6    7    7   11   13   17   22   24   27   54   59   66   73   85  101  103  111  115 
LCS_GDT     T    37_A     T    37_A      5    8   25      3    6    6    7    7    9   13   17   36   37   42   49   54   81   89   98  102  110  114  120 
LCS_GDT     D    38_A     D    38_A      7    9   25      3    7    8    9   10   11   14   17   22   36   43   49   54   63   72   97  101  110  117  124 
LCS_GDT     N    39_A     N    39_A      7    9   25      4    7    8    9   10   11   12   15   19   26   46   55   71   84   93  101  111  119  124  127 
LCS_GDT     A    40_A     A    40_A      7    9   25      4    7    8    9   10   12   14   21   23   33   39   49   54   74   86   97  105  118  124  127 
LCS_GDT     K    41_A     K    41_A      7    9   25      4    7    8    9   13   19   22   27   31   33   37   41   43   46   55   63   76   90  107  120 
LCS_GDT     Y    42_A     Y    42_A      7    9   23      4    7    8    9   20   24   30   33   37   40   43   46   52   72   91  101  116  121  124  128 
LCS_GDT     W    43_A     W    43_A      7    9   23      4    7    8    9   10   24   30   33   37   40   43   56   71   86   95  106  116  121  124  128 
LCS_GDT     C    44_A     C    44_A      7    9   23      3    7    8   10   13   18   20   25   32   36   39   41   44   48   63   75   83   99  118  126 
LCS_GDT     F    45_A     F    45_A      7    9   23      3    4    6    9   10   10   15   16   17   19   24   26   36   38   44   48   55   68   84   95 
LCS_GDT     D    46_A     D    46_A      3    9   49      3    3    5    6    8    9   13   14   16   17   18   23   26   33   41   51   55   68   84   95 
LCS_GDT     K    47_A     K    47_A      3    5   51      3    3    3    5    7   10   15   16   17   18   20   23   26   36   55   75   80   82   91   95 
LCS_GDT     G    48_A     G    48_A      5    5   52      3    4    5    6    7    8   11   27   37   41   50   53   56   62   66   77   83   90  102  106 
LCS_GDT     N    49_A     N    49_A      5    6   54      3    4    7   10   22   26   32   42   47   55   61   65   70   80   88   93   96  106  112  121 
LCS_GDT     D    50_A     D    50_A      5    6   55      3    4    5    6    7    8   28   31   37   47   52   55   65   69   80   87   91   95  105  111 
LCS_GDT     L    51_A     L    51_A      5    6   55      3    4    5    6   11   12   37   45   52   57   68   75   82   93   98  103  108  117  124  128 
LCS_GDT     G    52_A     G    52_A      5    6   55      3    4    8   18   26   32   34   45   52   60   68   76   85   94   98  106  116  121  124  128 
LCS_GDT     C    53_A     C    53_A      3    6   55      3    4    6   17   22   32   34   37   47   55   63   74   84   90   97  106  116  121  124  128 
LCS_GDT     L    54_A     L    54_A      3   33   55      3    4   11   23   28   33   40   46   52   60   70   79   86   94   98  106  116  121  124  128 
LCS_GDT     S    55_A     S    55_A     22   33   55     11   16   22   26   29   33   39   46   51   65   73   82   87   94   98  103  116  121  124  128 
LCS_GDT     L    56_A     L    56_A     22   33   55     11   16   22   26   29   33   40   46   52   57   68   75   83   89   97  103  108  117  124  128 
LCS_GDT     E    57_A     E    57_A     22   33   55     11   16   22   26   29   33   40   46   52   57   66   75   82   89   97  103  108  117  124  128 
LCS_GDT     K    58_A     K    58_A     22   33   55     11   16   22   26   29   33   40   46   52   60   70   79   85   94   98  105  116  121  124  128 
LCS_GDT     L    59_A     L    59_A     22   33   55     11   16   22   26   29   33   40   46   52   60   68   76   84   90   98  104  116  121  124  128 
LCS_GDT     E    60_A     E    60_A     22   33   55     11   16   22   26   29   33   40   46   52   57   63   69   74   86   95  102  106  114  123  127 
LCS_GDT     A    61_A     A    61_A     22   33   55     11   16   22   26   29   33   40   46   52   57   63   69   75   86   95  102  107  115  124  128 
LCS_GDT     L    62_A     L    62_A     22   33   55     11   16   22   26   29   33   40   45   52   57   63   69   74   80   92  100  108  117  124  128 
LCS_GDT     E    63_A     E    63_A     22   33   55     11   16   22   26   29   32   39   45   52   57   63   69   74   80   88   95  100  110  118  126 
LCS_GDT     S    64_A     S    64_A     22   33   55     11   16   22   26   29   32   39   45   52   57   63   69   74   78   86   95  100  106  112  120 
LCS_GDT     K    65_A     K    65_A     22   33   55     11   16   22   26   29   32   39   45   52   57   62   69   72   77   86   92  100  106  112  120 
LCS_GDT     D    66_A     D    66_A     22   33   55      4   14   22   26   29   32   39   45   52   57   63   69   74   78   86   95  100  107  115  123 
LCS_GDT     L    67_A     L    67_A     22   33   55      8   16   22   26   29   32   39   45   52   57   63   69   74   78   86   95  100  110  118  125 
LCS_GDT     K    68_A     K    68_A     22   33   55      8   16   22   26   29   32   39   45   52   57   63   69   74   78   86   95  100  107  116  124 
LCS_GDT     K    69_A     K    69_A     22   33   55      8   15   22   26   29   33   40   46   52   57   63   69   74   79   89   98  105  111  120  126 
LCS_GDT     V    70_A     V    70_A     22   33   55      8   16   22   26   29   33   40   46   52   57   63   75   82   89   97  104  116  121  124  128 
LCS_GDT     V    71_A     V    71_A     22   33   55      8   15   22   26   29   33   40   46   52   57   63   69   75   86   95  104  116  121  124  128 
LCS_GDT     K    72_A     K    72_A     22   33   55      8   11   22   26   29   33   40   46   52   57   63   69   80   89   95  103  110  121  124  128 
LCS_GDT     F    73_A     F    73_A     22   33   55      8   16   22   26   29   33   40   46   52   60   69   79   85   93   98  106  116  121  124  128 
LCS_GDT     Y    74_A     Y    74_A     22   33   99      8   16   22   26   29   33   40   46   56   67   75   82   88   94   98  106  116  121  124  128 
LCS_GDT     E    75_A     E    75_A     22   33   99      6   15   22   26   29   33   40   46   52   65   73   82   88   94   98  106  116  121  124  128 
LCS_GDT     K    76_A     K    76_A     22   33   99      6   12   22   26   29   33   40   46   52   65   73   82   88   94   98  106  116  121  124  128 
LCS_GDT     T    77_A     T    77_A     13   33   99      6   12   20   26   29   33   40   46   52   65   73   82   88   94   98  106  116  121  124  128 
LCS_GDT     I    78_A     I    78_A     11   33   99      6   12   20   26   29   33   40   47   57   67   76   82   88   94   98  106  116  121  124  128 
LCS_GDT     P    79_A     P    79_A     11   33   99      5   12   20   26   29   33   40   47   58   67   76   82   88   94   98  106  116  121  124  128 
LCS_GDT     E    80_A     E    80_A     11   33   99      3   10   19   26   29   33   40   46   56   67   76   82   88   94   98  106  116  121  124  128 
LCS_GDT     Y    81_A     Y    81_A     11   33   99      6   12   20   26   29   33   40   46   56   67   76   82   88   94   98  106  116  121  124  128 
LCS_GDT     C    82_A     C    82_A     11   33   99      6   12   20   26   29   33   40   47   58   67   76   82   88   94   98  106  116  121  124  128 
LCS_GDT     Y    83_A     Y    83_A     11   33   99      4   10   20   26   29   32   38   45   56   67   76   82   88   94   98  106  116  121  124  128 
LCS_GDT     D    84_A     D    84_A      9   33   99      5    6   16   18   26   32   39   45   52   67   76   82   88   94   98  105  116  121  124  128 
LCS_GDT     K    85_A     K    85_A      7   33   99      5   14   16   20   26   33   40   46   56   67   76   82   88   94   98  105  116  121  124  128 
LCS_GDT     K    86_A     K    86_A      7   33   99      5    6   11   18   27   32   38   45   52   67   76   82   88   94   98  104  113  121  124  128 
LCS_GDT     F    87_A     F    87_A      7   29   99      5    6    8   17   23   32   34   46   57   67   76   82   88   94   98  106  116  121  124  128 
LCS_GDT     A    88_A     A    88_A      7   27   99      5    6    8   17   22   32   34   37   50   58   71   81   88   94   98  106  116  121  124  128 
LCS_GDT     P    89_A     P    89_A      4   10   99      3    4    4    5   10   10   13   21   27   38   40   41   46   56   64   75   98  110  118  125 
LCS_GDT     A    90_A     A    90_A      4   10   99      3    4    8   10   16   22   30   31   37   48   59   67   82   92   98  106  116  121  124  128 
LCS_GDT     C    91_A     C    91_A      4    5   99      5   10   17   25   28   33   41   52   60   67   76   82   88   94   98  106  116  121  124  128 
LCS_GDT     N    92_A     N    92_A      4    5   99      3    4    5    7   15   24   33   42   51   67   76   82   88   94   98  106  116  121  124  128 
LCS_GDT     I    93_A     I    93_A      4    5   99      3    4    7   18   26   32   34   41   52   57   69   77   87   94   98  106  116  121  124  128 
LCS_GDT     P    94_A     P    94_A      4    5   99      3    4   15   23   28   33   40   46   52   63   73   81   88   94   98  106  116  121  124  128 
LCS_GDT     A    95_A     A    95_A      5   14   99      3    4   11   21   27   33   40   50   61   67   72   81   88   94   98  106  116  121  124  128 
LCS_GDT     I    96_A     I    96_A      5   14   99      3    7   14   21   24   33   40   46   52   60   69   79   88   94   98  106  116  121  124  128 
LCS_GDT     D    97_A     D    97_A      5   14   99      3    4    5   13   17   23   27   43   50   57   59   69   74   87   95  104  116  121  124  128 
LCS_GDT     L    98_A     L    98_A     11   14   99      3    6   11   12   16   23   34   43   48   57   67   73   80   89   97  104  116  121  124  128 
LCS_GDT     I    99_A     I    99_A     11   14   99     10   10   14   24   33   38   44   54   61   67   76   82   88   94   98  106  116  121  124  128 
LCS_GDT     Q   100_A     Q   100_A     11   14   99     10   10   11   17   29   38   44   54   61   67   76   82   88   94   98  106  116  121  124  128 
LCS_GDT     Q   101_A     Q   101_A     11   14   99     10   10   16   24   33   38   44   54   61   67   76   82   88   94   98  106  116  121  124  128 
LCS_GDT     K   102_A     K   102_A     11   14   99     10   14   21   25   33   38   44   54   61   67   76   82   88   94   98  106  116  121  124  128 
LCS_GDT     L   103_A     L   103_A     11   14   99     10   10   12   25   33   38   44   54   61   67   76   82   88   94   98  106  116  121  124  128 
LCS_GDT     S   104_A     S   104_A     11   14   99     10   10   11   18   28   38   44   54   61   67   76   82   88   94   98  106  116  121  124  128 
LCS_GDT     Y   105_A     Y   105_A     11   14   99     10   10   20   25   33   38   44   54   61   67   76   82   88   94   98  106  116  121  124  128 
LCS_GDT     Y   106_A     Y   106_A     11   14   99     10   10   11   15   18   30   38   50   61   67   76   82   88   93   98  106  114  121  124  128 
LCS_GDT     V   107_A     V   107_A     11   14   99     10   10   11   15   18   23   30   49   60   67   76   82   88   94   98  106  116  121  124  128 
LCS_GDT     R   108_A     R   108_A     11   14   99     10   10   11   15   18   32   44   54   61   67   76   82   88   94   98  106  116  121  124  128 
LCS_GDT     N   109_A     N   109_A      4   13   99      3    3    6   11   33   38   44   54   61   67   76   82   88   94   98  106  116  121  124  128 
LCS_GDT     D   110_A     D   110_A      4   10   99      3    3    5   10   18   36   44   54   61   67   76   82   88   94   98  106  116  121  124  128 
LCS_GDT     I   111_A     I   111_A      3    5   99      3    3    5    8   28   38   44   50   60   67   76   82   88   94   98  106  116  121  124  128 
LCS_GDT     D   112_A     D   112_A      3    5   99      3    3    4    6   23   28   36   43   50   58   66   75   87   93   98  106  116  121  124  128 
LCS_GDT     N   113_A     N   113_A      3    5   99      3    4   13   21   26   33   37   47   53   61   73   82   88   93   98  106  116  121  124  128 
LCS_GDT     K   114_A     K   114_A      3    6   99      3    4    5   10   25   38   41   50   58   67   76   82   88   94   98  106  116  121  124  128 
LCS_GDT     T   115_A     T   115_A     11   18   99      4    8   11   20   23   33   44   54   61   67   76   82   88   94   98  106  116  121  124  128 
LCS_GDT     I   116_A     I   116_A     15   18   99      4   14   16   20   23   32   43   50   58   67   73   79   87   94   98  106  116  121  124  128 
LCS_GDT     K   117_A     K   117_A     15   18   99      4    5   14   19   24   32   44   54   61   67   76   82   88   94   98  106  116  121  124  128 
LCS_GDT     T   118_A     T   118_A     15   18   99      7   14   16   20   23   32   44   54   61   67   76   82   88   94   98  106  116  121  124  128 
LCS_GDT     F   119_A     F   119_A     15   18   99     12   14   16   20   23   31   39   50   55   65   73   79   86   94   98  106  116  121  124  128 
LCS_GDT     Y   120_A     Y   120_A     15   18   99     12   14   16   20   23   31   39   50   56   67   73   80   87   94   98  106  116  121  124  128 
LCS_GDT     S   121_A     S   121_A     15   18   99     12   14   16   20   23   32   44   54   61   67   76   82   88   94   98  106  116  121  124  128 
LCS_GDT     D   122_A     D   122_A     15   18   99     12   14   16   20   23   32   43   54   61   67   76   82   88   94   98  106  116  121  124  128 
LCS_GDT     Y   123_A     Y   123_A     15   18   99     12   14   16   20   23   31   39   50   58   67   76   82   88   94   98  106  116  121  124  128 
LCS_GDT     A   124_A     A   124_A     15   18   99     12   14   16   20   23   32   43   54   61   67   76   82   88   94   98  106  116  121  124  128 
LCS_GDT     K   125_A     K   125_A     15   18   99     12   14   16   20   23   37   44   54   61   67   76   82   88   94   98  106  116  121  124  128 
LCS_GDT     A   126_A     A   126_A     15   18   99     12   14   16   20   23   32   43   54   61   67   76   82   88   94   98  106  116  121  124  128 
LCS_GDT     L   127_A     L   127_A     15   18   99     12   14   16   20   23   32   43   54   61   67   76   82   88   94   98  106  116  121  124  128 
LCS_GDT     S   128_A     S   128_A     15   18   99     12   14   16   20   23   37   44   54   61   67   76   82   88   94   98  106  116  121  124  128 
LCS_GDT     E   129_A     E   129_A     15   18   99     12   14   16   20   23   33   44   54   61   67   76   82   88   94   98  106  116  121  124  128 
LCS_GDT     S   130_A     S   130_A     15   18   99     12   14   16   20   23   32   43   54   61   67   76   82   88   94   98  106  116  121  124  128 
LCS_GDT     K   131_A     K   131_A     14   26   99      3   13   15   19   25   35   44   54   61   67   76   82   88   94   98  106  116  121  124  128 
LCS_GDT     A   132_A     A   132_A     11   26   99      3    9   15   20   24   30   42   54   60   67   76   82   88   94   98  106  116  121  124  128 
LCS_GDT     D   133_A     D   133_A     11   26   99      4    4    9   16   27   33   40   46   56   67   76   82   88   94   98  106  116  121  124  128 
LCS_GDT     V   134_A     V   134_A     13   26   99      6   10   15   21   27   36   44   54   61   67   76   82   88   94   98  106  116  121  124  128 
LCS_GDT     K   135_A     K   135_A     13   26   99      7   10   17   24   33   38   44   54   61   67   76   82   88   94   98  106  116  121  124  128 
LCS_GDT     M   136_A     M   136_A     13   26   99      7   10   15   24   33   38   44   54   61   67   76   82   88   94   98  106  116  121  124  128 
LCS_GDT     L   137_A     L   137_A     13   26   99      7   11   20   25   33   38   44   54   61   67   76   82   88   94   98  106  116  121  124  128 
LCS_GDT     E   138_A     E   138_A     13   26   99      7   10   19   25   33   38   44   54   61   67   76   82   88   94   98  106  116  121  124  128 
LCS_GDT     Y   139_A     Y   139_A     13   26   99      7   10   15   23   33   38   44   54   61   67   76   82   88   94   98  106  116  121  124  128 
LCS_GDT     G   140_A     G   140_A     13   26   99      7    9   15   24   33   38   44   54   61   67   76   82   88   94   98  106  116  121  124  128 
LCS_GDT     C   141_A     C   141_A     13   26   99      7   10   15   21   32   38   44   54   61   67   76   82   88   94   98  106  116  121  124  128 
LCS_GDT     N   142_A     N   142_A     13   26   99      3   10   15   19   26   33   40   46   52   57   69   75   86   93   98  103  108  114  121  128 
LCS_GDT     E   143_A     E   143_A     13   26   99      3    9   15   21   24   31   36   44   52   57   65   74   81   86   94  102  108  113  119  124 
LCS_GDT     L   144_A     L   144_A     13   26   99      3   10   15   21   24   31   41   50   57   66   70   76   85   93   98  103  108  116  124  128 
LCS_GDT     K   145_A     K   145_A     13   27   99      3   10   15   21   30   38   43   52   60   67   76   82   88   94   98  103  114  121  124  128 
LCS_GDT     S   146_A     S   146_A     13   28   99      3   10   17   25   33   38   44   54   61   67   76   82   88   94   98  106  116  121  124  128 
LCS_GDT     A   147_A     A   147_A     12   28   99      5   10   15   25   33   38   44   54   61   67   76   82   88   94   98  106  116  121  124  128 
LCS_GDT     Y   148_A     Y   148_A     16   29   99      5   10   17   25   33   38   44   54   61   67   76   82   88   94   98  106  116  121  124  128 
LCS_GDT     I   149_A     I   149_A     21   29   99      5   15   21   25   33   38   44   54   61   67   76   82   88   94   98  106  116  121  124  128 
LCS_GDT     C   150_A     C   150_A     22   29   99      5   13   21   25   33   38   44   54   61   67   76   82   88   94   98  106  116  121  124  128 
LCS_GDT     R   151_A     R   151_A     22   29   99      6   16   21   25   33   38   44   54   61   67   76   82   88   94   98  106  116  121  124  128 
LCS_GDT     D   152_A     D   152_A     23   29   99      8   16   21   25   33   38   44   54   61   67   76   82   88   94   98  106  116  121  124  128 
LCS_GDT     L   153_A     L   153_A     23   29   99     15   19   22   25   33   38   44   54   61   67   76   82   88   94   98  106  116  121  124  128 
LCS_GDT     R   154_A     R   154_A     23   29   99     15   19   22   25   33   38   44   54   61   67   76   82   88   94   98  106  116  121  124  128 
LCS_GDT     D   155_A     D   155_A     23   29   99     15   19   22   25   33   38   44   54   61   67   76   82   88   94   98  106  116  121  124  128 
LCS_GDT     M   156_A     M   156_A     23   29   99     15   19   22   25   33   38   44   54   61   67   76   82   88   94   98  106  116  121  124  128 
LCS_GDT     Y   157_A     Y   157_A     23   29   99     15   19   22   25   33   38   44   54   61   67   76   82   88   94   98  106  116  121  124  128 
LCS_GDT     K   158_A     K   158_A     23   29   99     15   19   22   25   33   38   44   54   61   67   76   82   88   94   98  106  116  121  124  128 
LCS_GDT     Y   159_A     Y   159_A     23   29   99     15   19   22   25   33   38   44   54   61   67   76   82   88   94   98  106  116  121  124  128 
LCS_GDT     L   160_A     L   160_A     23   29   99     15   19   22   25   33   38   44   54   61   67   76   82   88   94   98  106  116  121  124  128 
LCS_GDT     G   161_A     G   161_A     23   29   99     15   19   22   25   33   38   44   54   61   67   76   82   88   94   98  106  116  121  124  128 
LCS_GDT     D   162_A     D   162_A     23   29   99     15   19   22   25   33   38   44   54   61   67   76   82   88   94   98  106  116  121  124  128 
LCS_GDT     K   163_A     K   163_A     23   29   99     15   19   22   25   33   38   44   54   61   67   76   82   88   94   98  106  116  121  124  128 
LCS_GDT     E   164_A     E   164_A     23   29   99     15   19   22   25   33   38   44   54   61   67   76   82   88   94   98  106  116  121  124  128 
LCS_GDT     K   165_A     K   165_A     23   29   99     15   19   22   25   33   38   44   54   61   67   76   82   88   94   98  106  116  121  124  128 
LCS_GDT     T   166_A     T   166_A     23   29   99     15   19   22   25   33   38   44   54   61   67   76   82   88   94   98  106  116  121  124  128 
LCS_GDT     K   167_A     K   167_A     23   29   99     15   19   22   25   33   38   44   54   61   67   76   82   88   94   98  106  116  121  124  128 
LCS_GDT     E   168_A     E   168_A     23   29   99     10   19   22   24   29   38   44   54   61   67   76   82   88   94   98  106  116  121  124  128 
LCS_GDT     Y   169_A     Y   169_A     23   29   99     10   18   22   24   29   37   44   54   61   67   76   82   88   94   98  106  116  121  124  128 
LCS_GDT     N   170_A     N   170_A     23   29   99     10   19   22   25   33   38   44   54   61   67   76   82   88   94   98  106  116  121  124  128 
LCS_GDT     D   171_A     D   171_A     23   29   99     10   19   22   24   28   37   44   54   61   67   74   81   88   94   98  106  116  121  124  128 
LCS_GDT     K   172_A     K   172_A     23   29   99     10   18   22   24   27   29   40   50   61   67   72   80   88   94   98  106  116  121  124  128 
LCS_GDT     M   173_A     M   173_A     23   29   98      9   16   22   24   27   32   40   50   61   67   72   80   88   94   98  106  116  121  124  128 
LCS_GDT     K   174_A     K   174_A     23   29   98      9   19   22   24   27   34   41   50   61   67   72   79   87   93   98  106  116  121  124  128 
LCS_GDT     N   175_A     N   175_A     23   29   92      5   13   20   24   25   27   31   39   51   60   70   77   83   90   97  106  116  121  124  128 
LCS_GDT     G   176_A     G   176_A     23   29   92      5   13   17   24   25   26   30   34   42   52   66   72   80   87   94  102  113  121  124  128 
LCS_GDT     D   177_A     D   177_A      7   29   92      5    6    7    8   12   27   31   37   51   60   67   75   83   90   97  106  116  121  124  128 
LCS_GDT     E   178_A     E   178_A      7   28   92      5    6    7    8   12   24   31   37   51   60   67   75   83   90   98  106  116  121  124  128 
LCS_GDT     K   179_A     K   179_A      7    9   92      5    6    7    8    9   19   23   28   41   58   67   75   83   89   97  106  116  121  124  128 
LCS_GDT     W   180_A     W   180_A      7    9   92      5    6    7    8    9   17   24   29   48   58   67   75   83   90   97  106  116  121  124  128 
LCS_GDT     N   181_A     N   181_A      7    9   92      4    6    7   14   24   27   32   42   51   60   67   75   83   90   97  106  116  121  124  128 
LCS_GDT     S   182_A     S   182_A      7    9   92      3    5    7    8   15   24   30   32   38   45   63   74   82   89   97  103  111  120  124  128 
LCS_GDT     V   183_A     V   183_A      6    9   90      3    5    6    7    8   22   30   31   37   41   49   61   78   89   97  103  111  119  124  128 
LCS_GDT     L   184_A     L   184_A      6    9   87      3    5    6    7    8   10   11   15   20   27   50   63   76   87   92  101  106  113  122  126 
LCS_GDT     Y   185_A     Y   185_A      6    9   65      3    5    6    7   25   26   27   34   39   47   53   61   73   80   85   97  103  110  116  122 
LCS_GDT     D   186_A     D   186_A      6    9   65      4    5    6   21   25   27   31   35   38   46   53   64   77   84   90   99  108  114  124  127 
LCS_GDT     Y   187_A     Y   187_A      6    9   65      4    4    6    8    9   26   27   29   37   42   50   56   64   73   82   90   96  104  112  120 
LCS_GDT     K   188_A     K   188_A      5    9   65      4    4    6    7    9   10   13   28   29   36   45   48   55   67   74   81   89   99  106  111 
LCS_GDT     H   189_A     H   189_A      5    9   65      4   13   18   22   24   28   33   37   44   54   64   75   84   92   98  106  116  121  124  128 
LCS_GDT     M   190_A     M   190_A      5    9   65      4    4    6   15   23   32   34   36   48   58   67   75   83   90   98  106  116  121  124  128 
LCS_GDT     R   191_A     R   191_A      4    6   65      4    4    4    7   22   34   40   50   59   67   72   77   83   90   98  106  116  121  124  128 
LCS_GDT     Y   192_A     Y   192_A      4    6   65      4   10   21   25   33   38   44   54   61   67   72   77   84   91   98  106  116  121  124  128 
LCS_GDT     I   193_A     I   193_A      3    6   60      3    3    3    5   17   19   27   30   37   60   70   77   80   87   96  104  116  121  124  128 
LCS_GDT     H   194_A     H   194_A      3    6   50      0    3   10   15   18   23   30   33   38   39   40   46   55   75   82   89   97  108  116  125 
LCS_GDT     G   195_A     G   195_A      4    5   48      1    3   10   15   18   23   30   33   38   39   45   51   69   78   85   90   99  109  116  125 
LCS_GDT     G   196_A     G   196_A      4   12   24      3    3    4    6    7   10   13   18   26   35   43   51   66   77   81   89   93   98  106  114 
LCS_GDT     Y   197_A     Y   197_A     10   12   24      3    6   10   11   11   11   11   14   16   17   18   30   37   42   51   60   69   80   86   91 
LCS_GDT     S   198_A     S   198_A     10   12   24      6    8   10   11   11   12   15   16   17   18   20   21   22   25   27   33   56   63   71   77 
LCS_GDT     S   199_A     S   199_A     10   12   18      6    8   10   11   11   12   15   16   17   18   20   21   22   25   32   36   39   47   53   60 
LCS_GDT     W   200_A     W   200_A     10   12   18      6    8   10   11   11   12   15   16   17   18   20   20   22   25   29   36   40   47   53   60 
LCS_GDT     W   201_A     W   201_A     10   12   18      6    8   10   11   11   12   15   16   17   18   20   22   26   31   40   47   51   57   63   70 
LCS_GDT     L   202_A     L   202_A     10   12   18      6    8   10   11   11   12   15   19   21   22   26   27   31   31   39   47   51   57   61   68 
LCS_GDT     L   203_A     L   203_A     10   12   18      6    8   10   11   11   12   15   16   17   18   20   22   24   28   31   36   40   47   53   60 
LCS_GDT     E   204_A     E   204_A     10   12   18      4    8   10   11   11   12   15   16   17   18   20   22   24   29   32   36   40   47   61   66 
LCS_GDT     K   205_A     K   205_A     10   12   17      4    8   10   11   11   12   15   19   21   22   24   27   29   31   35   38   40   47   50   66 
LCS_GDT     I   206_A     I   206_A     10   12   17      3    8   10   11   11   12   15   16   17   18   20   21   22   24   29   35   40   47   50   50 
LCS_GDT     K   207_A     K   207_A     10   12   17      3    3    7   11   11   12   15   16   17   18   20   21   22   24   26   32   35   37   40   47 
LCS_AVERAGE  LCS_A:  16.09  (   5.82    8.96   33.49 )

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     15     19     22     26     33     38     44     54     61     67     76     82     88     94     98    106    116    121    124    128 
GDT PERCENT_AT   7.25   9.18  10.63  12.56  15.94  18.36  21.26  26.09  29.47  32.37  36.71  39.61  42.51  45.41  47.34  51.21  56.04  58.45  59.90  61.84
GDT RMS_LOCAL    0.33   0.60   0.77   1.30   1.67   1.87   2.21   2.75   3.05   3.31   3.90   4.17   4.36   4.62   4.74   5.36   5.83   5.97   6.11   6.30
GDT RMS_ALL_AT  16.35  16.54  16.69  19.88  14.76  14.71  14.59  14.69  14.61  14.51  14.99  15.21  14.96  15.15  15.14  14.57  14.57  14.61  14.55  14.75

# Checking swapping
#   possible swapping detected:  F     5_A      F     5_A
#   possible swapping detected:  E    15_A      E    15_A
#   possible swapping detected:  D    20_A      D    20_A
#   possible swapping detected:  Y    21_A      Y    21_A
#   possible swapping detected:  D    46_A      D    46_A
#   possible swapping detected:  D    50_A      D    50_A
#   possible swapping detected:  E    57_A      E    57_A
#   possible swapping detected:  E    63_A      E    63_A
#   possible swapping detected:  F    73_A      F    73_A
#   possible swapping detected:  E    75_A      E    75_A
#   possible swapping detected:  Y    83_A      Y    83_A
#   possible swapping detected:  Y   105_A      Y   105_A
#   possible swapping detected:  Y   106_A      Y   106_A
#   possible swapping detected:  D   110_A      D   110_A
#   possible swapping detected:  D   112_A      D   112_A
#   possible swapping detected:  F   119_A      F   119_A
#   possible swapping detected:  E   143_A      E   143_A
#   possible swapping detected:  Y   157_A      Y   157_A
#   possible swapping detected:  Y   159_A      Y   159_A
#   possible swapping detected:  E   168_A      E   168_A
#   possible swapping detected:  Y   169_A      Y   169_A
#   possible swapping detected:  Y   185_A      Y   185_A
#   possible swapping detected:  D   186_A      D   186_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     1_A      G     1_A    40.425     0    0.215   0.215    40.425    0.000    0.000
LGA    I     2_A      I     2_A    38.056     0    0.592   0.590    40.856    0.000    0.000
LGA    D     3_A      D     3_A    34.962     0    0.639   0.816    35.951    0.000    0.000
LGA    P     4_A      P     4_A    28.642     0    0.048   0.078    30.840    0.000    0.000
LGA    F     5_A      F     5_A    29.888     0    0.641   1.315    33.997    0.000    0.000
LGA    T     6_A      T     6_A    31.861     0    0.097   1.102    35.569    0.000    0.000
LGA    W     7_A      W     7_A    25.709     0    0.167   1.086    27.937    0.000    0.000
LGA    G     8_A      G     8_A    23.500     0    0.021   0.021    25.310    0.000    0.000
LGA    F     9_A      F     9_A    29.336     0    0.577   0.536    38.343    0.000    0.000
LGA    G    10_A      G    10_A    27.007     0    0.683   0.683    27.672    0.000    0.000
LGA    G    11_A      G    11_A    21.576     0    0.106   0.106    23.672    0.000    0.000
LGA    S    12_A      S    12_A    18.006     0    0.523   0.827    18.553    0.000    0.000
LGA    S    13_A      S    13_A    18.537     0    0.625   0.530    18.820    0.000    0.000
LGA    K    14_A      K    14_A    17.161     0    0.641   1.260    18.023    0.000    0.000
LGA    E    15_A      E    15_A    13.695     0    0.563   1.003    15.308    0.000    0.000
LGA    K    16_A      K    16_A    11.197     0    0.063   0.961    12.697    0.000    2.116
LGA    P    17_A      P    17_A    11.507     0    0.082   0.119    11.507    0.000    0.068
LGA    N    18_A      N    18_A    11.639     0    0.289   0.846    12.583    0.000    0.000
LGA    Y    19_A      Y    19_A    11.064     0    0.019   0.848    17.222    0.357    0.119
LGA    D    20_A      D    20_A    11.520     0    0.088   1.071    15.159    0.000    0.000
LGA    Y    21_A      Y    21_A     9.560     0    0.064   0.285    11.367    0.238    3.214
LGA    S    22_A      S    22_A    13.875     0    0.140   0.159    15.605    0.000    0.000
LGA    A    23_A      A    23_A    13.633     0    0.018   0.024    13.930    0.000    0.000
LGA    D    24_A      D    24_A     9.974     0    0.076   0.992    10.907    0.119    0.655
LGA    K    25_A      K    25_A    13.070     0    0.049   0.864    17.676    0.000    0.000
LGA    K    26_A      K    26_A    16.089     0    0.019   1.012    20.101    0.000    0.000
LGA    L    27_A      L    27_A    12.674     0    0.038   1.340    13.544    0.000    0.000
LGA    I    28_A      I    28_A    13.749     0    0.064   0.184    16.755    0.000    0.000
LGA    E    29_A      E    29_A    19.023     0    0.063   0.642    21.876    0.000    0.000
LGA    I    30_A      I    30_A    19.157     0    0.199   1.341    20.239    0.000    0.000
LGA    N    31_A      N    31_A    16.878     0    0.652   0.960    18.852    0.000    0.000
LGA    T    32_A      T    32_A    23.007     0    0.117   0.109    26.102    0.000    0.000
LGA    R    33_A      R    33_A    22.551     0    0.104   1.375    22.551    0.000    0.000
LGA    P    34_A      P    34_A    22.292     0    0.674   0.640    24.601    0.000    0.000
LGA    I    35_A      I    35_A    16.863     0    0.631   0.595    18.356    0.000    0.000
LGA    S    36_A      S    36_A    17.966     0    0.435   0.520    18.125    0.000    0.000
LGA    T    37_A      T    37_A    15.090     0    0.414   0.396    15.918    0.000    0.000
LGA    D    38_A      D    38_A    14.552     0    0.509   0.434    17.582    0.000    0.000
LGA    N    39_A      N    39_A    13.642     0    0.081   0.287    16.338    0.000    0.000
LGA    A    40_A      A    40_A    13.429     0    0.018   0.024    14.551    0.000    0.000
LGA    K    41_A      K    41_A    14.845     0    0.046   0.821    18.938    0.000    0.000
LGA    Y    42_A      Y    42_A    13.097     0    0.049   0.383    17.017    0.000    0.000
LGA    W    43_A      W    43_A    13.230     0    0.030   1.082    20.020    0.000    0.000
LGA    C    44_A      C    44_A    16.124     0    0.585   0.776    17.765    0.000    0.000
LGA    F    45_A      F    45_A    21.454     0    0.523   1.399    24.207    0.000    0.000
LGA    D    46_A      D    46_A    21.617     0    0.628   0.853    21.883    0.000    0.000
LGA    K    47_A      K    47_A    21.116     0    0.058   0.939    23.636    0.000    0.000
LGA    G    48_A      G    48_A    18.625     0    0.241   0.241    19.066    0.000    0.000
LGA    N    49_A      N    49_A    14.310     0    0.265   0.893    15.597    0.000    0.000
LGA    D    50_A      D    50_A    16.397     0    0.257   0.972    21.247    0.000    0.000
LGA    L    51_A      L    51_A    12.311     0    0.009   1.415    13.846    0.000    0.000
LGA    G    52_A      G    52_A    11.788     0    0.445   0.445    11.788    0.000    0.000
LGA    C    53_A      C    53_A    13.348     0    0.358   0.360    14.950    0.000    0.000
LGA    L    54_A      L    54_A    12.271     0    0.547   0.994    14.694    0.119    0.060
LGA    S    55_A      S    55_A    13.776     0    0.606   0.969    17.171    0.000    0.000
LGA    L    56_A      L    56_A    16.648     0    0.040   1.389    18.426    0.000    0.000
LGA    E    57_A      E    57_A    17.554     0    0.030   0.902    19.177    0.000    0.000
LGA    K    58_A      K    58_A    14.157     0    0.031   1.383    15.086    0.000    0.000
LGA    L    59_A      L    59_A    14.414     0    0.009   0.086    16.250    0.000    0.000
LGA    E    60_A      E    60_A    18.668     0    0.042   0.907    22.812    0.000    0.000
LGA    A    61_A      A    61_A    18.348     0    0.023   0.025    19.048    0.000    0.000
LGA    L    62_A      L    62_A    16.574     0    0.063   1.387    18.887    0.000    0.000
LGA    E    63_A      E    63_A    19.453     0    0.020   1.179    22.125    0.000    0.000
LGA    S    64_A      S    64_A    22.817     0    0.081   0.095    24.705    0.000    0.000
LGA    K    65_A      K    65_A    22.350     0    0.097   0.655    23.966    0.000    0.000
LGA    D    66_A      D    66_A    22.417     0    0.141   0.224    24.528    0.000    0.000
LGA    L    67_A      L    67_A    19.505     0    0.018   1.398    20.759    0.000    0.000
LGA    K    68_A      K    68_A    21.688     0    0.083   0.696    28.042    0.000    0.000
LGA    K    69_A      K    69_A    20.299     0    0.058   0.626    28.120    0.000    0.000
LGA    V    70_A      V    70_A    15.210     0    0.020   0.055    17.233    0.000    0.000
LGA    V    71_A      V    71_A    15.304     0    0.014   0.053    16.818    0.000    0.000
LGA    K    72_A      K    72_A    17.737     0    0.012   1.115    27.660    0.000    0.000
LGA    F    73_A      F    73_A    14.915     0    0.039   1.755    19.041    0.000    0.000
LGA    Y    74_A      Y    74_A    10.235     0    0.084   1.310    11.981    0.357    3.254
LGA    E    75_A      E    75_A    11.872     0    0.106   0.739    14.043    0.000    0.000
LGA    K    76_A      K    76_A    13.736     0    0.120   0.670    18.669    0.000    0.000
LGA    T    77_A      T    77_A    13.240     0    0.087   1.075    16.027    0.000    0.000
LGA    I    78_A      I    78_A     9.743     0    0.031   0.740    11.031    0.833    2.381
LGA    P    79_A      P    79_A     9.279     0    0.077   0.243    10.036    0.833    0.816
LGA    E    80_A      E    80_A    12.112     0    0.011   0.912    14.973    0.000    0.000
LGA    Y    81_A      Y    81_A    11.887     0    0.045   0.906    11.887    0.000    0.000
LGA    C    82_A      C    82_A     9.083     0    0.029   0.905     9.808    0.952    2.619
LGA    Y    83_A      Y    83_A     9.871     0    0.120   0.144    11.317    0.238    2.698
LGA    D    84_A      D    84_A    11.120     0    0.070   0.413    12.048    0.000    0.000
LGA    K    85_A      K    85_A    11.044     0    0.053   1.022    13.106    0.000    0.000
LGA    K    86_A      K    86_A    11.252     0    0.028   0.621    14.305    0.000    0.000
LGA    F    87_A      F    87_A    10.272     0    0.293   1.102    12.704    0.000    0.000
LGA    A    88_A      A    88_A    10.810     0    0.689   0.643    12.107    0.000    0.000
LGA    P    89_A      P    89_A    15.862     0    0.346   0.567    18.756    0.000    0.000
LGA    A    90_A      A    90_A    12.018     0    0.401   0.379    12.758    1.071    0.857
LGA    C    91_A      C    91_A     6.283     0    0.303   0.836     8.710   17.143   15.079
LGA    N    92_A      N    92_A     8.471     0    0.140   1.140    15.112    4.762    2.381
LGA    I    93_A      I    93_A     9.628     0    0.596   1.543    13.378    5.119    2.560
LGA    P    94_A      P    94_A     6.969     0    0.124   0.373    10.398   17.024   10.476
LGA    A    95_A      A    95_A     4.922     0    0.525   0.490     5.475   28.810   33.048
LGA    I    96_A      I    96_A     7.493     0    0.086   0.751    11.548   10.119    5.179
LGA    D    97_A      D    97_A    10.097     0    0.025   0.064    14.555    1.429    0.714
LGA    L    98_A      L    98_A     7.410     0    0.076   0.079    10.210   12.857    7.679
LGA    I    99_A      I    99_A     3.688     0    0.141   1.263     7.158   44.167   38.512
LGA    Q   100_A      Q   100_A     4.127     0    0.025   1.159     6.720   45.357   32.328
LGA    Q   101_A      Q   101_A     2.987     0    0.114   0.965     3.981   59.524   52.751
LGA    K   102_A      K   102_A     1.975     0    0.125   0.893     7.677   72.976   51.587
LGA    L   103_A      L   103_A     1.494     0    0.052   1.049     3.787   73.214   69.405
LGA    S   104_A      S   104_A     2.232     0    0.021   0.057     3.479   68.810   63.730
LGA    Y   105_A      Y   105_A     1.608     0    0.058   0.308     5.922   65.357   48.810
LGA    Y   106_A      Y   106_A     4.338     0    0.043   1.164     5.647   35.000   51.984
LGA    V   107_A      V   107_A     5.003     0    0.076   0.096     5.817   30.238   28.571
LGA    R   108_A      R   108_A     3.696     0    0.439   1.117     7.435   60.238   32.121
LGA    N   109_A      N   109_A     3.368     0    0.063   1.062     6.283   48.571   35.714
LGA    D   110_A      D   110_A     3.123     0    0.546   1.160     6.895   50.119   41.548
LGA    I   111_A      I   111_A     5.452     0    0.319   0.949     8.229   20.357   20.952
LGA    D   112_A      D   112_A     9.330     0    0.565   1.054    12.343    5.833    2.917
LGA    N   113_A      N   113_A     7.857     0    0.267   0.303    14.366   12.619    6.310
LGA    K   114_A      K   114_A     6.029     0    0.606   0.903    15.858   25.714   11.746
LGA    T   115_A      T   115_A     3.952     0    0.579   1.383     5.827   40.476   35.170
LGA    I   116_A      I   116_A     5.403     0    0.101   1.204     7.978   25.238   20.714
LGA    K   117_A      K   117_A     3.931     0    0.038   1.048     7.644   40.357   31.481
LGA    T   118_A      T   118_A     3.607     0    0.170   1.107     4.550   40.476   42.653
LGA    F   119_A      F   119_A     6.121     0    0.022   1.718    13.172   21.548    9.437
LGA    Y   120_A      Y   120_A     5.693     0    0.031   0.695     7.586   23.810   20.437
LGA    S   121_A      S   121_A     3.741     0    0.026   0.686     4.564   42.024   45.873
LGA    D   122_A      D   122_A     4.619     0    0.013   0.121     6.146   31.548   29.107
LGA    Y   123_A      Y   123_A     5.810     0    0.031   0.460     8.984   25.000   13.452
LGA    A   124_A      A   124_A     4.064     0    0.012   0.018     4.667   40.476   41.048
LGA    K   125_A      K   125_A     3.128     0    0.003   1.003     6.368   46.667   39.365
LGA    A   126_A      A   126_A     4.880     0    0.015   0.021     5.432   32.857   31.524
LGA    L   127_A      L   127_A     4.540     0    0.008   1.394     7.431   34.286   27.143
LGA    S   128_A      S   128_A     3.341     0    0.084   0.684     3.685   46.667   53.016
LGA    E   129_A      E   129_A     4.487     0    0.097   0.196     5.591   32.976   29.841
LGA    S   130_A      S   130_A     5.251     0    0.459   0.744     5.983   26.310   26.270
LGA    K   131_A      K   131_A     4.431     0    0.236   0.282     4.665   35.714   39.947
LGA    A   132_A      A   132_A     5.365     0    0.055   0.059     6.383   25.000   23.429
LGA    D   133_A      D   133_A     6.929     0    0.585   0.625    10.845   16.310    8.810
LGA    V   134_A      V   134_A     3.557     0    0.130   0.164     5.452   53.095   45.578
LGA    K   135_A      K   135_A     1.522     0    0.117   0.499     2.152   70.833   73.968
LGA    M   136_A      M   136_A     2.185     0    0.079   0.823     4.851   70.952   59.107
LGA    L   137_A      L   137_A     0.918     0    0.057   1.387     6.004   85.952   62.798
LGA    E   138_A      E   138_A     1.895     0    0.024   0.114     3.438   69.524   63.545
LGA    Y   139_A      Y   139_A     3.191     0    0.046   0.221     8.455   52.024   30.675
LGA    G   140_A      G   140_A     2.012     0    0.142   0.142     3.009   61.071   61.071
LGA    C   141_A      C   141_A     3.296     0    0.089   0.823     4.757   45.833   43.968
LGA    N   142_A      N   142_A     6.808     0    0.021   0.093     8.344   13.571   10.060
LGA    E   143_A      E   143_A     7.496     0    0.028   1.099    11.120    9.524    6.190
LGA    L   144_A      L   144_A     6.025     0    0.374   0.332     8.067   21.667   18.393
LGA    K   145_A      K   145_A     4.873     0    0.241   0.980     7.724   31.548   25.503
LGA    S   146_A      S   146_A     2.824     0    0.160   0.597     3.201   57.262   57.302
LGA    A   147_A      A   147_A     2.865     0    0.037   0.034     3.353   60.952   58.762
LGA    Y   148_A      Y   148_A     1.650     0    0.057   1.261    11.428   81.667   40.516
LGA    I   149_A      I   149_A     1.215     0    0.027   0.146     2.495   77.381   77.381
LGA    C   150_A      C   150_A     2.727     0    0.072   0.809     3.657   59.048   54.921
LGA    R   151_A      R   151_A     2.057     0    0.049   1.062     4.252   64.762   64.113
LGA    D   152_A      D   152_A     1.929     0    0.038   0.921     2.897   68.810   68.869
LGA    L   153_A      L   153_A     2.748     0    0.041   1.065     6.232   62.857   49.881
LGA    R   154_A      R   154_A     2.002     0    0.015   1.772    10.893   68.810   38.571
LGA    D   155_A      D   155_A     1.971     0    0.050   0.174     2.910   68.810   65.833
LGA    M   156_A      M   156_A     2.294     0    0.017   0.141     3.026   64.762   59.167
LGA    Y   157_A      Y   157_A     1.724     0    0.047   0.079     2.939   77.143   69.008
LGA    K   158_A      K   158_A     1.130     0    0.023   0.487     2.435   81.429   79.735
LGA    Y   159_A      Y   159_A     2.121     0    0.096   0.168     4.105   68.810   55.278
LGA    L   160_A      L   160_A     2.005     0    0.045   0.069     2.596   68.810   65.833
LGA    G   161_A      G   161_A     1.361     0    0.051   0.051     1.482   81.429   81.429
LGA    D   162_A      D   162_A     1.164     0    0.114   0.144     1.535   85.952   83.750
LGA    K   163_A      K   163_A     0.538     0    0.039   0.620     2.137   95.238   86.772
LGA    E   164_A      E   164_A     0.687     0    0.019   0.687     5.191   90.595   70.794
LGA    K   165_A      K   165_A     1.190     0    0.010   0.578     3.980   81.548   72.063
LGA    T   166_A      T   166_A     1.232     0    0.039   0.052     1.678   79.286   80.204
LGA    K   167_A      K   167_A     1.425     0    0.053   0.510     4.026   73.095   65.608
LGA    E   168_A      E   168_A     2.911     0    0.017   0.824     5.872   53.810   40.053
LGA    Y   169_A      Y   169_A     3.467     0    0.022   0.149     3.976   48.333   50.119
LGA    N   170_A      N   170_A     2.913     0    0.041   0.235     3.600   50.119   53.690
LGA    D   171_A      D   171_A     3.784     0    0.033   0.045     4.833   40.476   43.571
LGA    K   172_A      K   172_A     5.271     0    0.029   0.070     6.225   24.048   25.820
LGA    M   173_A      M   173_A     5.370     0    0.118   1.072     6.965   22.738   22.381
LGA    K   174_A      K   174_A     5.131     0    0.108   1.159     6.314   22.976   35.556
LGA    N   175_A      N   175_A     7.782     0    0.160   1.128     9.298    6.667    7.321
LGA    G   176_A      G   176_A     8.964     0    0.619   0.619     8.964    3.810    3.810
LGA    D   177_A      D   177_A    10.195     0    0.055   0.084    12.909    0.238    0.119
LGA    E   178_A      E   178_A    10.760     0    0.024   1.423    16.378    0.000    0.000
LGA    K   179_A      K   179_A    12.078     0    0.018   0.850    17.143    0.000    0.000
LGA    W   180_A      W   180_A    10.493     0    0.185   0.417    13.035    0.476    0.136
LGA    N   181_A      N   181_A     9.683     0    0.521   0.889    11.223    0.476    0.298
LGA    S   182_A      S   182_A    12.592     0    0.641   0.798    16.428    0.000    0.000
LGA    V   183_A      V   183_A    13.150     0    0.196   1.070    17.254    0.000    0.000
LGA    L   184_A      L   184_A    13.214     0    0.061   1.352    18.244    0.000    0.000
LGA    Y   185_A      Y   185_A    11.606     0    0.124   1.390    16.804    0.000    0.000
LGA    D   186_A      D   186_A     9.864     0    0.385   1.015    11.876    0.238    0.179
LGA    Y   187_A      Y   187_A    11.779     0    0.065   0.207    21.149    0.000    0.000
LGA    K   188_A      K   188_A    12.606     0    0.059   0.932    19.374    0.000    0.000
LGA    H   189_A      H   189_A     9.010     0    0.573   1.235    11.403    5.000    2.476
LGA    M   190_A      M   190_A     9.670     0    0.058   0.793    15.433    2.857    1.429
LGA    R   191_A      R   191_A     6.178     0    0.100   1.401     9.509   20.000   18.182
LGA    Y   192_A      Y   192_A     3.345     0    0.608   1.430    13.092   41.905   20.556
LGA    I   193_A      I   193_A     7.801     0    0.630   0.886    11.566    7.262    4.286
LGA    H   194_A      H   194_A    11.485     0    0.737   1.222    18.779    0.119    0.048
LGA    G   195_A      G   195_A    11.175     0    0.629   0.629    13.644    0.000    0.000
LGA    G   196_A      G   196_A    15.663     0    0.680   0.680    18.929    0.000    0.000
LGA    Y   197_A      Y   197_A    21.806     0    0.656   1.029    25.439    0.000    0.000
LGA    S   198_A      S   198_A    22.682     0    0.094   0.562    25.312    0.000    0.000
LGA    S   199_A      S   199_A    26.217     0    0.058   0.666    28.625    0.000    0.000
LGA    W   200_A      W   200_A    28.872     0    0.122   1.199    36.680    0.000    0.000
LGA    W   201_A      W   201_A    26.848     0    0.015   1.590    28.690    0.000    0.000
LGA    L   202_A      L   202_A    27.646     0    0.034   0.104    30.981    0.000    0.000
LGA    L   203_A      L   203_A    32.714     0    0.059   0.151    35.689    0.000    0.000
LGA    E   204_A      E   204_A    34.183     0    0.066   0.527    36.700    0.000    0.000
LGA    K   205_A      K   205_A    34.062     0    0.043   0.343    36.873    0.000    0.000
LGA    I   206_A      I   206_A    38.953     0    0.281   1.390    43.069    0.000    0.000
LGA    K   207_A      K   207_A    43.577     0    0.316   1.192    49.265    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      207     828    828  100.00    1714   1714  100.00               207
SUMMARY(RMSD_GDC):    13.523         13.456                 14.050           19.342   17.055

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  207  207    4.0     54    2.75    24.758    21.030     1.894

LGA_LOCAL      RMSD:   2.752  Number of atoms:   54  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  14.686  Number of assigned atoms:  207 
Std_ASGN_ATOMS RMSD:  13.523  Standard rmsd on all 207 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.700342 * X  +  -0.345547 * Y  +   0.624594 * Z  + -22.662298
  Y_new =  -0.343407 * X  +   0.930206 * Y  +   0.129568 * Z  +  -4.450850
  Z_new =  -0.625774 * X  +  -0.123748 * Y  +  -0.770126 * Z  +  21.006489 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.685702  0.676123 -2.982270   [DEG: -153.8794   38.7390 -170.8715 ]
ZXZ:  1.775339  2.449835 -1.766029   [DEG:  101.7195  140.3652 -101.1860 ]
 
# END of job
