
#######################################################
#                                                     #
#                        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  310 ( 2492),  selected  289 , name one
# Molecule2: number of CA atoms  289 ( 2335),  selected  289 , 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:   110     173_A - 282_A       4.89    20.05
  LONGEST_CONTINUOUS_SEGMENT:   110     174_A - 283_A       4.98    20.68
  LCS_AVERAGE:     20.66

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    64     207_A - 270_A       1.93    20.48
  LCS_AVERAGE:      8.98

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    31     237_A - 267_A       1.00    20.31
  LCS_AVERAGE:      4.79

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  289
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     N     7_A     N     7_A      3    4   26      3    3   13   21   26   34   53   67   75   84   91   94   96   99  102  103  107  108  113  117 
LCS_GDT     N     8_A     N     8_A      3    4   26      3    3    5    7   29   38   61   74   85   88   91   94   96   99  102  103  107  108  113  117 
LCS_GDT     N     9_A     N     9_A      3    4   26      3    3    5    6   29   39   63   74   85   88   91   94   96   99  102  103  107  108  113  117 
LCS_GDT     E    10_A     E    10_A      3   10   26      3    3    3    4   13   22   55   64   71   81   87   94   96   99  102  103  107  108  113  117 
LCS_GDT     S    11_A     S    11_A      4   10   26      3    4    4    6    9   12   21   22   25   32   35   44   52   62   68   78  107  108  113  117 
LCS_GDT     L    12_A     L    12_A      5   11   27      3    5    6    8   11   15   18   30   39   42   48   57   82   96   98  101  107  108  113  117 
LCS_GDT     N    13_A     N    13_A      5   11   27      4    5    6    8   11   16   21   22   23   25   28   32   52   57   62   99  103  108  110  116 
LCS_GDT     R    14_A     R    14_A      5   11   27      4    5    6    8   11   16   21   22   23   25   28   32   38   44   56   66  103  105  110  113 
LCS_GDT     F    15_A     F    15_A      6   13   27      4    5    8   10   12   13   15   17   22   24   28   32   37   44   47   51   62   72   95  111 
LCS_GDT     N    16_A     N    16_A      6   13   27      4    6    9   11   12   13   15   17   19   24   28   32   37   44   47   51   55   61   71   88 
LCS_GDT     D    17_A     D    17_A      6   13   27      4    5    8   11   12   13   15   17   19   24   28   32   37   41   47   49   55   60   80   96 
LCS_GDT     I    18_A     I    18_A      9   13   27      5    7    9   11   12   13   15   17   19   24   28   32   37   44   47   51   55   61   65   70 
LCS_GDT     I    19_A     I    19_A      9   13   27      5    7    9   11   12   13   15   17   22   24   28   32   37   44   47   51   55   61   65   70 
LCS_GDT     Q    20_A     Q    20_A      9   13   27      5    7    9   11   12   13   15   17   19   23   28   32   37   44   47   51   55   61   65   70 
LCS_GDT     S    21_A     S    21_A      9   13   27      6    7    9   11   12   13   15   17   19   23   28   32   37   44   47   51   55   61   65   70 
LCS_GDT     L    22_A     L    22_A      9   13   27      6    7    9   11   12   13   15   17   22   24   28   32   37   44   47   51   55   61   65   70 
LCS_GDT     P    23_A     P    23_A      9   13   27      6    7    9   11   12   12   15   17   22   24   28   32   37   44   47   51   55   61   65   70 
LCS_GDT     A    24_A     A    24_A      9   13   27      6    6    9   11   12   12   13   17   22   24   28   32   37   44   47   51   55   61   65   70 
LCS_GDT     R    25_A     R    25_A      9   13   27      6    7    9   11   12   13   17   19   21   24   28   32   36   39   47   51   55   61   65   70 
LCS_GDT     T    26_A     T    26_A      9   13   27      6    6    9   11   12   15   18   19   22   24   28   32   37   44   47   51   55   61   65   70 
LCS_GDT     R    27_A     R    27_A      3   13   27      3    3    3    3    6    9   13   15   18   24   28   32   36   44   47   51   55   61   65   70 
LCS_GDT     L    28_A     L    28_A      3    3   27      3    3    7    9   10   13   15   17   19   24   28   29   32   35   41   44   55   61   65   70 
LCS_GDT     T    29_A     T    29_A      3    3   27      3    3    4    8    9   12   14   17   22   24   28   32   36   39   47   51   55   61   65   71 
LCS_GDT     I    30_A     I    30_A      3    3   27      3    3    3    3    6   14   15   17   22   22   25   29   32   39   46   51   55   61   65   78 
LCS_GDT     C    31_A     C    31_A      7    8   27      5    6    7    8    8    8    9   11   14   17   21   22   26   32   36   39   42   51   57   71 
LCS_GDT     S    32_A     S    32_A      7    8   28      5    6    7    8    8   16   20   26   27   35   39   43   46   58   59   62   68   88   94  105 
LCS_GDT     L    33_A     L    33_A      7    8   29      5    6    7    8   11   16   20   26   29   35   41   43   53   58   59   74   79   86   93   99 
LCS_GDT     C    34_A     C    34_A      7    8   29      5    6    7   11   13   19   20   24   27   31   37   42   59   69   77   84   94  100  106  112 
LCS_GDT     L    35_A     L    35_A      7    8   29      5    6    7    8    9   12   14   23   26   31   43   54   74   78   89   93  101  106  112  117 
LCS_GDT     L    36_A     L    36_A      7   21   29      3    6    7    8   12   18   21   21   23   24   30   34   36   65   81   87   93  102  106  112 
LCS_GDT     D    37_A     D    37_A     13   21   29      4    6   13   16   19   20   21   22   23   24   37   60   64   74   84   90   95  106  112  117 
LCS_GDT     N    38_A     N    38_A     16   21   29      4    9   12   16   19   20   21   22   23   28   37   51   65   74   83   91   99  106  113  117 
LCS_GDT     I    39_A     I    39_A     16   21   29      4   15   15   16   19   20   21   22   23   24   32   36   40   49   59   75   89  100  113  117 
LCS_GDT     S    40_A     S    40_A     16   21   29     10   15   15   16   19   20   21   22   23   33   55   66   75   82   90   97  102  107  113  117 
LCS_GDT     T    41_A     T    41_A     16   21   29      9   15   15   16   19   20   21   22   23   25   45   56   67   83   89   97  103  108  113  117 
LCS_GDT     Q    42_A     Q    42_A     16   21   29      9   15   15   16   19   20   21   24   27   31   40   45   54   85   93   96  103  108  113  117 
LCS_GDT     L    43_A     L    43_A     16   21   29      9   15   15   16   19   20   21   22   27   31   40   45   80   86   94   99  103  108  113  117 
LCS_GDT     L    44_A     L    44_A     16   21   29     10   15   15   16   19   20   21   22   23   27   30   33   38   41   48   72   82  106  111  116 
LCS_GDT     R    45_A     R    45_A     16   21   29     10   15   15   16   19   20   21   22   23   24   28   67   76   86   91   92   98  106  111  114 
LCS_GDT     F    46_A     F    46_A     16   21   29     10   15   15   16   19   26   36   40   47   52   61   72   77   86   91   92   96  101  111  114 
LCS_GDT     L    47_A     L    47_A     16   21   29     10   15   15   16   19   27   33   40   46   49   61   73   77   85   91   93   95  106  111  114 
LCS_GDT     I    48_A     I    48_A     16   21   29     10   15   15   16   19   20   21   22   23   24   24   25   45   59   80   90   93   96   99  101 
LCS_GDT     L    49_A     L    49_A     16   21   29     10   15   15   16   19   20   21   22   35   40   43   48   57   67   80   90   93   96   99  101 
LCS_GDT     N    50_A     N    50_A     16   21   29     10   15   15   16   19   20   21   22   23   24   29   34   45   54   61   73   90   95   98  101 
LCS_GDT     A    51_A     A    51_A     16   21   29     10   15   15   16   19   20   21   22   23   24   24   25   37   40   45   53   71   87   97  101 
LCS_GDT     N    52_A     N    52_A     16   21   29     10   15   15   16   19   20   21   22   23   24   24   25   26   27   29   30   35   38   41   42 
LCS_GDT     S    53_A     S    53_A     16   21   29      3   15   15   16   19   20   21   22   23   24   24   25   26   27   28   30   32   38   41   42 
LCS_GDT     P    54_A     P    54_A     16   21   29      3    5   15   16   19   20   21   22   23   24   24   25   26   27   28   30   32   38   41   43 
LCS_GDT     N    55_A     N    55_A      3   21   29      3    3    4    6   11   20   21   21   22   22   23   25   26   27   28   36   44   52   58   65 
LCS_GDT     I    56_A     I    56_A      3   21   29      3    3    4    6   19   20   21   21   22   22   23   25   26   40   45   59   63   75   85   89 
LCS_GDT     I    57_A     I    57_A      3   19   29      3    3    4    6    6   17   20   22   23   24   24   25   44   52   59   68   92   96   98  106 
LCS_GDT     A    58_A     A    58_A      3    5   29      3    3    4    4    9   18   20   37   39   46   58   67   71   86   91   92   95   99  106  114 
LCS_GDT     V    59_A     V    59_A      4    5   29      3    3    4    5   13   40   42   47   54   65   73   76   88   93   95  102  107  108  113  117 
LCS_GDT     L    60_A     L    60_A      4    5   29      3    3    4    5    9   18   20   22   22   29   35   42   50   59   59   81   84  100  106  117 
LCS_GDT     T    61_A     T    61_A      4    5   29      3    3    4    6   13   20   21   22   23   28   37   48   59   74   87   91   99  106  113  117 
LCS_GDT     D    62_A     D    62_A      4    5   29      3    3    4    8   17   20   21   21   22   23   24   29   33   47   53   63   79   89   93   99 
LCS_GDT     Q    63_A     Q    63_A      3    5   29      3    3    3    4    8   16   20   21   22   23   24   25   26   33   43   51   66   72   80   88 
LCS_GDT     S    69_A     S    69_A     18   19   25     15   18   18   18   19   20   21   22   23   25   29   33   38   41   48   57   68   77   86   92 
LCS_GDT     G    70_A     G    70_A     18   19   25     15   18   18   18   19   20   21   22   23   25   29   33   38   52   59   67   74   81   86   92 
LCS_GDT     E    71_A     E    71_A     18   19   25     15   18   18   18   19   20   21   22   23   25   35   37   45   52   59   71   76   82  103  110 
LCS_GDT     T    72_A     T    72_A     18   19   25     15   18   18   18   19   20   21   22   23   25   29   33   39   47   53   63   74   81   93  110 
LCS_GDT     E    73_A     E    73_A     18   19   25     15   18   18   18   19   20   21   22   23   25   29   33   39   47   53   63   74   79   93   99 
LCS_GDT     I    74_A     I    74_A     18   19   31     15   18   18   18   19   20   21   22   23   25   29   33   45   52   59   75   79   96  113  115 
LCS_GDT     F    75_A     F    75_A     18   19   31     15   18   18   18   19   20   21   22   23   25   37   48   55   61   66   84   98  105  113  117 
LCS_GDT     Q    76_A     Q    76_A     18   19   32     15   18   18   18   19   20   21   22   23   25   29   48   55   61   66   75   79   89  106  115 
LCS_GDT     T    77_A     T    77_A     18   19   32     15   18   18   18   19   20   21   22   23   28   37   48   55   61   66   84   92  104  113  117 
LCS_GDT     L    78_A     L    78_A     18   19   32     15   18   18   18   19   20   21   22   23   28   37   66   73   82   87   97  102  107  113  117 
LCS_GDT     V    79_A     V    79_A     18   19   32     15   18   18   18   19   20   21   22   23   28   37   48   55   73   80   90   99  106  113  117 
LCS_GDT     K    80_A     K    80_A     18   19   32     15   18   18   18   19   20   21   22   23   27   37   48   55   61   66   84   92   99  112  117 
LCS_GDT     L    81_A     L    81_A     18   19   32     15   18   18   18   19   20   21   22   23   43   55   66   75   82   87   97  102  107  113  117 
LCS_GDT     F    82_A     F    82_A     18   19   32     15   18   18   18   19   20   21   22   31   41   55   66   76   81   92   98  102  107  113  117 
LCS_GDT     K    83_A     K    83_A     18   19   32     15   18   18   18   19   20   21   22   23   27   30   33   38   61   74   87   95  106  112  117 
LCS_GDT     Q    84_A     Q    84_A     18   19   32     13   18   18   18   19   20   21   22   23   27   37   56   65   76   82   92   99  106  113  117 
LCS_GDT     I    85_A     I    85_A     18   19   32     13   18   18   18   19   20   21   22   34   52   67   79   87   93   97  100  102  107  113  117 
LCS_GDT     R    86_A     R    86_A     18   19   32      6   18   18   18   19   20   21   21   23   25   33   58   72   76   85   96  102  106  112  117 
LCS_GDT     M    87_A     M    87_A      3   19   32      3    3    3    5   11   15   26   29   46   62   76   83   86   90   95  100  102  106  113  117 
LCS_GDT     I    88_A     I    88_A      5    5   32      3    4    4    5   15   26   37   45   56   63   73   80   84   86   90   94  100  104  108  113 
LCS_GDT     Y    89_A     Y    89_A      5   11   32      3    6    8    9   13   21   25   32   41   45   52   56   60   65   69   78   81   89   96  105 
LCS_GDT     H    90_A     H    90_A      5   11   32      3    4    4    9   11   12   15   18   23   27   30   32   37   52   54   57   67   73   85   96 
LCS_GDT     T    91_A     T    91_A      5   11   32      3    4    5    6    7   11   13   16   21   27   30   32   37   44   47   51   55   61   65   70 
LCS_GDT     R    92_A     R    92_A      7   11   32      3    5    8    9   10   12   15   18   23   27   30   32   37   44   47   51   55   61   65   70 
LCS_GDT     S    93_A     S    93_A      7   11   32      5    6    8    9   11   12   15   18   23   27   30   32   37   44   47   51   55   61   65   70 
LCS_GDT     P    94_A     P    94_A      7   11   32      5    6    8    9   15   17   17   21   23   27   30   32   37   41   47   51   55   60   70   71 
LCS_GDT     L    95_A     L    95_A      7   11   32      5    6    8    9   11   12   15   18   23   28   33   37   41   52   56   69   72   81   93   96 
LCS_GDT     L    96_A     L    96_A      7   11   32      4    6    8    9   12   17   22   29   40   45   51   56   60   65   71   82   86   90   96  105 
LCS_GDT     S    97_A     S    97_A      7   11   32      5    6    8    9   11   12   15   31   41   45   52   56   60   67   74   81   86   93   99  105 
LCS_GDT     V    98_A     V    98_A      7   11   32      5    6    8    9   11   12   15   24   38   46   54   69   75   78   83   88   94   98  103  110 
LCS_GDT     H    99_A     H    99_A      3   11   32      0    3    3    8   11   12   15   20   23   27   37   55   67   72   77   85   89   94  100  105 
LCS_GDT     D   100_A     D   100_A      4    5   32      3    3    9   10   15   17   19   39   55   63   65   72   75   82   89   92  100  104  107  113 
LCS_GDT     V   101_A     V   101_A      4    5   32      3    3    5    7   10   18   19   20   23   27   30   65   73   77   81   87   90   98  102  107 
LCS_GDT     A   102_A     A   102_A      4    5   32      3    3    6    6    7    8   13   18   23   27   30   32   36   38   43   51   55   63   94   99 
LCS_GDT     P   103_A     P   103_A      4   11   32      3    3    4    6    9   12   15   19   23   27   30   32   37   44   47   51   55   61   65   76 
LCS_GDT     G   104_A     G   104_A      7   16   32      3    4    8   10   14   16   19   20   23   27   30   32   37   44   47   51   55   61   65   70 
LCS_GDT     L   105_A     L   105_A      8   16   32      4    7    9   10   15   17   19   20   22   27   30   32   37   44   47   51   55   61   65   70 
LCS_GDT     W   106_A     W   106_A      8   16   32      4    7   12   14   15   17   19   20   22   24   28   32   37   44   46   51   55   61   65   70 
LCS_GDT     F   107_A     F   107_A     12   16   32      4    8   12   14   15   17   19   20   22   24   26   30   33   38   43   49   55   61   65   70 
LCS_GDT     P   108_A     P   108_A     12   16   30      3    8   12   14   15   17   19   20   22   24   26   29   32   34   37   44   47   57   63   70 
LCS_GDT     N   109_A     N   109_A     12   16   29      3    9   12   14   15   17   19   20   22   24   26   27   32   34   37   39   41   48   54   60 
LCS_GDT     S   110_A     S   110_A     12   16   29      5    9   12   14   15   17   19   20   22   24   26   29   32   34   37   44   47   51   57   64 
LCS_GDT     P   111_A     P   111_A     12   16   29      6    9   12   14   15   17   19   20   22   24   26   29   32   34   37   44   47   51   57   62 
LCS_GDT     P   112_A     P   112_A     12   16   29      6    9   12   14   15   17   19   20   22   24   26   29   32   34   37   44   47   55   60   67 
LCS_GDT     P   113_A     P   113_A     12   16   29      6    9   12   14   15   17   19   20   22   24   26   29   32   34   37   44   47   52   59   64 
LCS_GDT     L   114_A     L   114_A     12   16   29      6    9   12   14   15   17   19   20   22   24   26   29   32   34   37   39   43   50   55   62 
LCS_GDT     I   115_A     I   115_A     12   16   29      6    9   12   14   14   17   19   20   22   24   26   27   32   34   37   39   43   50   55   62 
LCS_GDT     L   116_A     L   116_A     12   16   29      6    9   12   14   15   17   19   20   22   24   26   29   32   34   37   44   47   54   59   64 
LCS_GDT     R   117_A     R   117_A     12   16   29      6    9   12   14   15   17   19   20   22   24   26   29   32   34   37   44   47   51   57   62 
LCS_GDT     G   118_A     G   118_A     12   16   29      6    9   12   14   15   17   19   20   22   24   26   29   32   34   37   44   47   51   57   64 
LCS_GDT     H   119_A     H   119_A     12   16   29      4    8   11   14   15   17   19   20   22   24   26   29   32   34   37   49   52   61   65   70 
LCS_GDT     E   120_A     E   120_A      3   15   29      3    3    4    5    6    6    9   11   17   23   26   30   37   44   47   51   58   69   83   95 
LCS_GDT     A   121_A     A   121_A      3   11   29      3    3    5    9   12   16   17   18   21   23   26   31   46   67   76   84   90   94   99  103 
LCS_GDT     F   122_A     F   122_A      3    5   29      1    3    9    9   12   16   17   18   21   23   26   27   37   44   47   51   55   61   88  103 
LCS_GDT     I   123_A     I   123_A      3    3   29      1    3    3    5   11   15   17   18   21   23   24   31   37   41   47   65   80   92   99  103 
LCS_GDT     I   124_A     I   124_A      3    3   29      1    3    3    6   10   11   13   16   23   24   27   31   34   48   75   79   90   93   98  103 
LCS_GDT     T   125_A     T   125_A      3    3   25      0    3    4    5    8   10   11   12   16   19   20   21   39   79   88   90   95   99  103  110 
LCS_GDT     A   126_A     A   126_A      3    3   25      1    3    4    4    6    8   11   12   15   19   20   21   21   24   48   87   95   99  103  110 
LCS_GDT     I   127_A     I   127_A      3    3   25      3    3    4    4    5    5    7    8   13   39   44   66   80   89   94   96  102  106  107  111 
LCS_GDT     R   128_A     R   128_A      3    3   24      3    3    3    3    5    8   28   42   52   61   68   80   88   94   96  100  103  106  107  111 
LCS_GDT     K   129_A     K   129_A      3    4   24      3    3    3    7   10   12   14   17   20   24   34   49   66   74   82   90   96  102  106  111 
LCS_GDT     A   130_A     A   130_A      3   12   21      3    3    4    8   10   11   14   17   20   25   31   42   57   71   79   86   92   98  106  111 
LCS_GDT     N   131_A     N   131_A     11   12   21      6   11   11   11   11   13   14   17   23   26   38   49   66   74   81   88   97  102  106  111 
LCS_GDT     L   132_A     L   132_A     11   12   21      6   11   11   11   13   16   17   18   21   26   28   32   42   57   70   82   91   98  105  111 
LCS_GDT     L   133_A     L   133_A     11   12   21      6   11   11   11   11   13   13   17   19   22   24   26   30   38   41   42   48   58   63   70 
LCS_GDT     T   134_A     T   134_A     11   12   21      7   11   11   11   11   13   13   14   15   19   22   35   42   47   50   52   56   70  105  107 
LCS_GDT     F   135_A     F   135_A     11   12   21      7   11   11   11   11   13   13   15   20   25   55   63   95   98  101  102  103  106  109  111 
LCS_GDT     L   136_A     L   136_A     11   12   21      7   11   11   11   11   13   13   14   15   19   20   23   26   32   32   35   38   47   63   70 
LCS_GDT     L   137_A     L   137_A     11   12   21      7   11   11   11   11   13   13   14   15   16   19   22   26   32   32   35   37   41   48   53 
LCS_GDT     T   138_A     T   138_A     11   12   21      7   11   11   11   11   13   13   14   15   16   19   27   36   39   47   85   93   95   95   98 
LCS_GDT     S   139_A     S   139_A     11   12   22      7   11   11   11   11   13   13   14   15   16   19   22   27   69   77   85   93   95   95   98 
LCS_GDT     L   140_A     L   140_A     11   12   22      7   11   11   11   11   13   13   14   15   16   19   21   23   26   29   33   37   41   48   53 
LCS_GDT     N   141_A     N   141_A     11   12   22      7   11   11   11   11   13   13   14   15   16   19   21   23   25   28   33   36   41   48   53 
LCS_GDT     C   142_A     C   142_A      4    5   22      3    3    4    5    6    9   10   14   15   16   18   20   23   24   30   33   40   52   58   65 
LCS_GDT     L   143_A     L   143_A      4    5   22      3    3    4    5    7   10   10   11   13   16   19   22   26   32   32   35   37   38   42   65 
LCS_GDT     N   144_A     N   144_A      4    5   22      3    3    4    5    6    7    8   10   13   16   19   22   26   32   32   35   37   38   42   45 
LCS_GDT     Y   145_A     Y   145_A      3   11   22      3    3    5    8    9   14   15   16   17   19   23   25   26   32   32   35   37   51   59   70 
LCS_GDT     G   146_A     G   146_A      9   15   22      3    4    9   11   14   15   16   16   17   19   23   25   26   32   32   35   37   47   54   64 
LCS_GDT     F   147_A     F   147_A      9   15   22      3    8    9   11   14   15   16   16   17   18   23   25   25   27   29   35   37   38   44   48 
LCS_GDT     E   148_A     E   148_A      9   15   22      3    8    9   11   14   15   16   16   17   18   19   25   25   27   28   32   36   43   48   55 
LCS_GDT     L   149_A     L   149_A      9   15   22      6    8    9   11   14   15   16   16   17   20   23   25   27   32   32   43   49   67   72   78 
LCS_GDT     L   150_A     L   150_A      9   15   22      6    8    9   11   14   15   16   16   19   21   24   26   27   30   38   54   56   67   87   92 
LCS_GDT     Q   151_A     Q   151_A      9   15   22      6    8    9   11   14   15   16   16   18   20   24   26   27   30   31   33   44   51   55   74 
LCS_GDT     S   152_A     S   152_A      9   15   22      6    8    9   11   14   15   16   16   18   20   24   26   27   30   35   43   49   59   68   74 
LCS_GDT     I   153_A     I   153_A      9   15   22      6    8    9   11   14   15   16   16   18   20   25   28   33   36   53   63   66   76   87   99 
LCS_GDT     F   154_A     F   154_A      9   15   22      6    8    9   11   14   15   16   16   18   20   24   26   29   34   40   44   49   59   82   84 
LCS_GDT     L   155_A     L   155_A      7   15   22      4    5    9   11   14   15   16   16   18   20   24   26   27   30   33   44   49   59   68   74 
LCS_GDT     D   156_A     D   156_A      7   15   22      4    5    9   11   14   15   16   16   18   20   24   26   29   34   40   44   49   59   82   84 
LCS_GDT     I   157_A     I   157_A      7   15   22      4    5    9   11   14   15   16   16   18   20   24   26   29   34   40   63   66   76   87  100 
LCS_GDT     F   158_A     F   158_A      7   15   22      4    5    9   11   14   15   16   18   23   27   30   32   33   35   40   44   49   76   88  101 
LCS_GDT     C   159_A     C   159_A      7   15   22      3    5    9   11   14   15   16   16   18   20   23   25   27   30   34   39   43   59   68   83 
LCS_GDT     P   160_A     P   160_A      7   15   22      3    4    7   10   14   14   16   16   18   20   23   25   27   27   30   34   43   59   68   83 
LCS_GDT     N   161_A     N   161_A      7   14   58      4    5    7   10   14   14   15   16   18   20   23   25   27   27   29   33   33   48   68   76 
LCS_GDT     T   162_A     T   162_A      4    9  105      3    4    4    5    6    8   13   14   16   18   23   25   27   38   53   62   76   89   95  107 
LCS_GDT     Q   172_A     Q   172_A      3    4  108      3    3    3    5    5    7   12   21   26   32   35   43   54   62   68   82   86   88   96  101 
LCS_GDT     S   173_A     S   173_A      3    4  110      3    3    3    7    9   26   32   44   50   60   64   71   78   84   89   92   98  102  108  116 
LCS_GDT     G   174_A     G   174_A      3    4  110      3    3    9   17   26   34   43   53   58   68   77   83   89   95  101  103  107  108  113  117 
LCS_GDT     K   175_A     K   175_A      3    4  110      3    3   11   15   25   29   45   53   56   61   67   75   85   90   95  102  104  108  113  117 
LCS_GDT     F   176_A     F   176_A      3   26  110      3    3    3    5   19   21   36   46   55   61   67   74   84   89   96  101  104  105  112  117 
LCS_GDT     L   177_A     L   177_A     24   26  110     10   26   42   49   52   62   72   82   86   89   92   94   96   99  102  103  107  108  113  117 
LCS_GDT     K   178_A     K   178_A     24   26  110     16   33   43   55   68   75   80   84   86   89   92   94   96   99  102  103  107  108  113  117 
LCS_GDT     S   179_A     S   179_A     24   26  110     11   27   43   49   59   72   80   84   86   89   92   94   96   99  102  103  107  108  113  117 
LCS_GDT     Q   180_A     Q   180_A     24   26  110     15   27   43   49   55   65   76   84   86   89   92   94   96   99  102  103  107  108  113  117 
LCS_GDT     A   181_A     A   181_A     24   26  110     16   33   43   55   68   75   80   84   86   89   92   94   96   99  102  103  107  108  113  117 
LCS_GDT     I   182_A     I   182_A     24   26  110     14   33   43   55   68   75   80   84   86   89   92   94   96   99  102  103  107  108  113  117 
LCS_GDT     L   183_A     L   183_A     24   26  110     16   33   43   49   61   74   80   84   86   89   92   94   96   99  102  103  107  108  113  117 
LCS_GDT     Y   184_A     Y   184_A     24   26  110     16   33   43   52   65   75   80   84   86   89   92   94   96   99  102  103  107  108  113  117 
LCS_GDT     L   185_A     L   185_A     24   26  110     16   33   43   58   68   75   80   84   86   89   92   94   96   99  102  103  107  108  113  117 
LCS_GDT     D   186_A     D   186_A     24   26  110     16   33   43   55   68   75   80   84   86   89   92   94   96   99  102  103  107  108  113  117 
LCS_GDT     L   187_A     L   187_A     24   26  110     16   33   43   55   68   75   80   84   86   89   92   94   96   99  102  103  107  108  113  117 
LCS_GDT     K   188_A     K   188_A     24   26  110     16   33   43   58   68   75   80   84   86   89   92   94   96   99  102  103  107  108  113  117 
LCS_GDT     T   189_A     T   189_A     24   26  110     14   33   43   58   68   75   80   84   86   89   92   94   96   99  102  103  107  108  113  117 
LCS_GDT     Q   190_A     Q   190_A     24   26  110     16   33   43   55   68   75   80   84   86   89   92   94   96   99  102  103  107  108  113  117 
LCS_GDT     A   191_A     A   191_A     24   26  110     16   33   43   55   68   75   80   84   86   89   92   94   96   99  102  103  107  108  113  117 
LCS_GDT     Y   192_A     Y   192_A     24   26  110     16   33   45   58   68   75   80   84   86   89   92   94   96   99  102  103  107  108  113  117 
LCS_GDT     I   193_A     I   193_A     24   26  110     16   33   43   57   68   75   80   84   86   89   92   94   96   99  102  103  107  108  113  117 
LCS_GDT     A   194_A     A   194_A     24   26  110     16   30   43   52   67   75   80   84   86   89   92   94   96   99  102  103  107  108  113  117 
LCS_GDT     G   195_A     G   195_A     24   26  110     16   33   44   58   68   75   80   84   86   89   92   94   96   99  102  103  107  108  113  117 
LCS_GDT     L   196_A     L   196_A     24   26  110     16   33   43   58   68   75   80   84   86   89   92   94   96   99  102  103  107  108  113  117 
LCS_GDT     K   197_A     K   197_A     24   26  110     16   33   43   55   68   75   80   84   86   89   92   94   96   99  102  103  107  108  113  117 
LCS_GDT     E   198_A     E   198_A     24   26  110     15   33   43   58   68   75   80   84   86   89   92   94   96   99  102  103  107  108  113  117 
LCS_GDT     F   199_A     F   199_A     24   26  110      5   34   45   58   68   75   80   84   86   89   92   94   96   99  102  103  107  108  113  117 
LCS_GDT     Q   200_A     Q   200_A     24   26  110      8   33   43   55   68   75   80   84   86   89   92   94   96   99  102  103  107  108  113  117 
LCS_GDT     D   201_A     D   201_A      3   26  110      3    4   45   54   66   75   80   84   86   89   92   94   96   99  102  103  107  108  113  117 
LCS_GDT     E   202_A     E   202_A      5   19  110      4    4    7   11   24   37   46   55   67   81   88   91   96   99  102  103  107  108  113  117 
LCS_GDT     T   203_A     T   203_A      5   20  110      4    6    7   11   18   29   44   52   61   71   83   91   92   98  102  103  107  108  113  117 
LCS_GDT     N   204_A     N   204_A     12   21  110      4    8   15   17   20   30   41   55   72   82   88   91   96   99  102  103  107  108  113  117 
LCS_GDT     E   205_A     E   205_A     13   60  110      5    8   15   23   35   48   71   80   84   87   91   94   96   99  102  103  107  108  113  117 
LCS_GDT     I   206_A     I   206_A     15   63  110      4   10   15   30   44   64   78   82   86   89   92   94   96   99  102  103  107  108  113  117 
LCS_GDT     S   207_A     S   207_A     15   64  110      4   12   19   36   52   67   78   82   86   89   92   94   96   99  102  103  107  108  113  117 
LCS_GDT     L   208_A     L   208_A     15   64  110     13   33   43   49   62   75   80   84   86   89   92   94   96   99  102  103  107  108  113  117 
LCS_GDT     E   209_A     E   209_A     15   64  110     10   13   43   49   62   75   80   84   86   89   92   94   96   99  102  103  107  108  113  117 
LCS_GDT     K   210_A     K   210_A     15   64  110     10   25   44   54   68   75   80   84   86   89   92   94   96   99  102  103  107  108  113  117 
LCS_GDT     K   211_A     K   211_A     15   64  110     10   33   45   57   68   75   80   84   86   89   92   94   96   99  102  103  107  108  113  117 
LCS_GDT     Q   212_A     Q   212_A     15   64  110     11   33   45   58   68   75   80   84   86   89   92   94   96   99  102  103  107  108  113  117 
LCS_GDT     E   213_A     E   213_A     22   64  110     10   33   45   58   68   75   80   84   86   89   92   94   96   99  102  103  107  108  113  117 
LCS_GDT     L   214_A     L   214_A     22   64  110     10   37   48   58   68   75   80   84   86   89   92   94   96   99  102  103  107  108  113  117 
LCS_GDT     L   215_A     L   215_A     22   64  110     14   37   48   58   68   75   80   84   86   89   92   94   96   99  102  103  107  108  113  117 
LCS_GDT     D   216_A     D   216_A     22   64  110     14   33   48   58   68   75   80   84   86   89   92   94   96   99  102  103  107  108  113  117 
LCS_GDT     L   217_A     L   217_A     22   64  110     14   33   48   58   68   75   80   84   86   89   92   94   96   99  102  103  107  108  113  117 
LCS_GDT     I   218_A     I   218_A     22   64  110     14   33   48   58   68   75   80   84   86   89   92   94   96   99  102  103  107  108  113  117 
LCS_GDT     F   219_A     F   219_A     22   64  110     15   33   48   58   68   75   80   84   86   89   92   94   96   99  102  103  107  108  113  117 
LCS_GDT     P   220_A     P   220_A     22   64  110     15   33   48   58   68   75   80   84   86   89   92   94   96   99  102  103  107  108  113  117 
LCS_GDT     S   221_A     S   221_A     22   64  110     15   33   48   58   68   75   80   84   86   89   92   94   96   99  102  103  107  108  113  117 
LCS_GDT     N   222_A     N   222_A     22   64  110     17   35   48   58   68   75   80   84   86   89   92   94   96   99  102  103  107  108  113  117 
LCS_GDT     L   223_A     L   223_A     22   64  110     21   37   48   58   68   75   80   84   86   89   92   94   96   99  102  103  107  108  113  117 
LCS_GDT     A   224_A     A   224_A     22   64  110     19   37   48   58   68   75   80   84   86   89   92   94   96   99  102  103  107  108  113  117 
LCS_GDT     D   225_A     D   225_A     22   64  110     17   37   48   58   68   75   80   84   86   89   92   94   96   99  102  103  107  108  113  117 
LCS_GDT     I   226_A     I   226_A     22   64  110     21   37   48   58   68   75   80   84   86   89   92   94   96   99  102  103  107  108  113  117 
LCS_GDT     L   227_A     L   227_A     22   64  110     23   37   48   58   68   75   80   84   86   89   92   94   96   99  102  103  107  108  113  117 
LCS_GDT     V   228_A     V   228_A     22   64  110     15   37   48   58   68   75   80   84   86   89   92   94   96   99  102  103  107  108  113  117 
LCS_GDT     Q   229_A     Q   229_A     22   64  110     16   37   48   58   68   75   80   84   86   89   92   94   96   99  102  103  107  108  113  117 
LCS_GDT     R   230_A     R   230_A     22   64  110     18   37   48   58   68   75   80   84   86   89   92   94   96   99  102  103  107  108  113  117 
LCS_GDT     R   231_A     R   231_A     22   64  110     19   37   48   58   68   75   80   84   86   89   92   94   96   99  102  103  107  108  113  117 
LCS_GDT     T   232_A     T   232_A     22   64  110     18   37   48   58   67   75   80   84   86   89   92   94   96   99  102  103  107  108  113  117 
LCS_GDT     G   233_A     G   233_A     22   64  110     15   37   48   58   68   75   80   84   86   89   92   94   96   99  102  103  107  108  113  117 
LCS_GDT     D   234_A     D   234_A     22   64  110     23   37   48   58   68   75   80   84   86   89   92   94   96   99  102  103  107  108  113  117 
LCS_GDT     S   235_A     S   235_A     20   64  110      4    9   15   28   47   63   75   81   84   88   92   94   96   99  102  103  107  108  113  117 
LCS_GDT     G   236_A     G   236_A     11   64  110      4    4    6   12   29   51   69   78   83   88   92   94   96   99  102  103  107  108  113  117 
LCS_GDT     D   237_A     D   237_A     31   64  110      7   33   46   58   68   75   80   84   86   89   92   94   96   99  102  103  107  108  113  117 
LCS_GDT     I   238_A     I   238_A     31   64  110      7   33   48   58   68   75   80   84   86   89   92   94   96   99  102  103  107  108  113  117 
LCS_GDT     T   239_A     T   239_A     31   64  110     12   37   48   58   68   75   80   84   86   89   92   94   96   99  102  103  107  108  113  117 
LCS_GDT     L   240_A     L   240_A     31   64  110     17   37   48   58   68   75   80   84   86   89   92   94   96   99  102  103  107  108  113  117 
LCS_GDT     L   241_A     L   241_A     31   64  110     23   37   48   58   68   75   80   84   86   89   92   94   96   99  102  103  107  108  113  117 
LCS_GDT     T   242_A     T   242_A     31   64  110     23   37   48   58   68   75   80   84   86   89   92   94   96   99  102  103  107  108  113  117 
LCS_GDT     P   243_A     P   243_A     31   64  110     23   37   48   58   68   75   80   84   86   89   92   94   96   99  102  103  107  108  113  117 
LCS_GDT     S   244_A     S   244_A     31   64  110     23   37   48   58   68   75   80   84   86   89   92   94   96   99  102  103  107  108  113  117 
LCS_GDT     E   245_A     E   245_A     31   64  110     23   37   48   58   68   75   80   84   86   89   92   94   96   99  102  103  107  108  113  117 
LCS_GDT     K   246_A     K   246_A     31   64  110     23   37   48   58   68   75   80   84   86   89   92   94   96   99  102  103  107  108  113  117 
LCS_GDT     D   247_A     D   247_A     31   64  110     23   37   48   58   68   75   80   84   86   89   92   94   96   99  102  103  107  108  113  117 
LCS_GDT     F   248_A     F   248_A     31   64  110     23   37   48   58   68   75   80   84   86   89   92   94   96   99  102  103  107  108  113  117 
LCS_GDT     V   249_A     V   249_A     31   64  110     23   37   48   58   68   75   80   84   86   89   92   94   96   99  102  103  107  108  113  117 
LCS_GDT     E   250_A     E   250_A     31   64  110     23   37   48   58   68   75   80   84   86   89   92   94   96   99  102  103  107  108  113  117 
LCS_GDT     R   251_A     R   251_A     31   64  110     23   37   48   58   68   75   80   84   86   89   92   94   96   99  102  103  107  108  113  117 
LCS_GDT     C   252_A     C   252_A     31   64  110     23   37   48   58   68   75   80   84   86   89   92   94   96   99  102  103  107  108  113  117 
LCS_GDT     D   253_A     D   253_A     31   64  110     23   37   48   58   68   75   80   84   86   89   92   94   96   99  102  103  107  108  113  117 
LCS_GDT     R   254_A     R   254_A     31   64  110     23   37   48   58   68   75   80   84   86   89   92   94   96   99  102  103  107  108  113  117 
LCS_GDT     R   255_A     R   255_A     31   64  110     23   37   48   58   68   75   80   84   86   89   92   94   96   99  102  103  107  108  113  117 
LCS_GDT     R   256_A     R   256_A     31   64  110     23   37   48   58   68   75   80   84   86   89   92   94   96   99  102  103  107  108  113  117 
LCS_GDT     E   257_A     E   257_A     31   64  110     23   37   48   58   68   75   80   84   86   89   92   94   96   99  102  103  107  108  113  117 
LCS_GDT     N   258_A     N   258_A     31   64  110     23   37   48   58   68   75   80   84   86   89   92   94   96   99  102  103  107  108  113  117 
LCS_GDT     L   259_A     L   259_A     31   64  110     23   37   48   58   68   75   80   84   86   89   92   94   96   99  102  103  107  108  113  117 
LCS_GDT     K   260_A     K   260_A     31   64  110     23   37   48   58   68   75   80   84   86   89   92   94   96   99  102  103  107  108  113  117 
LCS_GDT     I   261_A     I   261_A     31   64  110     23   37   48   58   68   75   80   84   86   89   92   94   96   99  102  103  107  108  113  117 
LCS_GDT     V   262_A     V   262_A     31   64  110      6   37   48   58   68   75   80   84   86   89   92   94   96   99  102  103  107  108  113  117 
LCS_GDT     Q   263_A     Q   263_A     31   64  110      6    9   20   54   62   72   80   84   86   89   92   94   96   99  102  103  107  108  113  117 
LCS_GDT     D   264_A     D   264_A     31   64  110      6    9   46   56   64   75   80   84   86   89   92   94   96   99  102  103  107  108  113  117 
LCS_GDT     F   265_A     F   265_A     31   64  110      6   27   48   54   63   72   79   84   86   89   92   94   96   99  102  103  107  108  113  117 
LCS_GDT     N   266_A     N   266_A     31   64  110     14   30   48   58   67   75   80   84   86   89   92   94   96   99  102  103  107  108  113  117 
LCS_GDT     S   267_A     S   267_A     31   64  110      6   27   45   58   68   75   80   84   86   89   92   94   96   99  102  103  107  108  113  117 
LCS_GDT     L   268_A     L   268_A     30   64  110      5   12   19   46   60   72   79   84   86   89   92   94   96   99  102  103  107  108  113  117 
LCS_GDT     T   269_A     T   269_A     10   64  110      5   10   15   35   49   63   77   84   86   89   92   94   96   99  102  103  107  108  113  117 
LCS_GDT     Q   270_A     Q   270_A      3   64  110      3    3    4   11   49   69   77   83   86   89   92   94   96   99  102  103  107  108  113  117 
LCS_GDT     S   271_A     S   271_A      3   62  110      3    3    4    7   11   14   16   22   26   33   51   60   88   95  101  102  107  108  113  117 
LCS_GDT     Y   272_A     Y   272_A      3   17  110      3    3    3    6    8    8   14   16   19   27   31   37   46   58   71   91  101  106  111  117 
LCS_GDT     E   273_A     E   273_A     16   17  110     13   15   16   16   16   16   17   34   48   64   87   93   96   98  102  103  107  108  113  117 
LCS_GDT     W   274_A     W   274_A     16   17  110     13   19   42   58   68   75   80   84   86   89   92   94   96   99  102  103  107  108  113  117 
LCS_GDT     A   275_A     A   275_A     16   17  110     13   15   16   23   38   57   75   82   86   89   92   94   96   99  102  103  107  108  113  117 
LCS_GDT     Q   276_A     Q   276_A     16   17  110     13   15   16   18   20   37   50   66   78   85   90   94   96   98  101  102  104  108  110  116 
LCS_GDT     F   277_A     F   277_A     16   17  110     13   15   16   18   28   54   70   80   86   89   92   94   96   99  102  103  107  108  113  117 
LCS_GDT     I   278_A     I   278_A     16   17  110     13   15   16   16   16   31   55   67   79   85   91   94   96   98  101  103  105  108  111  117 
LCS_GDT     R   279_A     R   279_A     16   17  110     13   15   16   16   16   17   17   27   41   53   63   71   86   91   96  100  103  106  107  111 
LCS_GDT     E   280_A     E   280_A     16   17  110     13   15   16   16   16   17   17   27   40   53   63   73   83   91   96  100  103  106  107  111 
LCS_GDT     L   281_A     L   281_A     16   17  110     13   15   16   16   16   28   40   49   61   74   86   89   93   97   99  101  103  106  107  111 
LCS_GDT     L   282_A     L   282_A     16   17  110     13   15   16   16   16   17   17   19   26   32   37   49   63   74   81   87   98  102  106  111 
LCS_GDT     D   283_A     D   283_A     16   17  110     13   15   16   16   16   17   17   19   26   29   37   41   46   58   69   84   88   94   99  106 
LCS_GDT     Y   284_A     Y   284_A     16   17  109     13   15   16   16   16   17   17   19   26   33   43   53   66   72   81   87   93  100  106  111 
LCS_GDT     C   285_A     C   285_A     16   17  109     11   15   16   16   16   17   17   19   26   32   38   48   56   68   80   86   91   98  105  111 
LCS_GDT     N   286_A     N   286_A     16   17   25     13   15   16   16   16   17   17   19   21   26   29   37   40   46   49   54   66   68   80   85 
LCS_GDT     K   287_A     K   287_A     16   17   25     11   15   16   16   16   17   17   19   21   26   34   37   42   46   49   58   66   68   80   85 
LCS_GDT     N   288_A     N   288_A     16   17   25      5   11   16   16   16   17   17   19   26   29   37   41   43   54   60   68   75   88   92   97 
LCS_GDT     M   289_A     M   289_A      4   17   25      3    3    4    5   10   16   17   18   26   32   42   49   63   71   81   86   92   98  106  111 
LCS_GDT     G   290_A     G   290_A      4    5   25      0    3    4    5    7    8   10   14   17   18   20   21   26   30   37   58   83   93   99  106 
LCS_GDT     L   291_A     L   291_A      3    3   25      0    3    3    4    4    8   10   10   13   15   20   20   25   36   70   87   98  102  106  111 
LCS_GDT     I   292_A     I   292_A      3    3   25      0    3    4    5   13   16   16   20   29   47   73   83   88   93   97   99  103  106  107  111 
LCS_GDT     I   293_A     I   293_A      3    5   25      3    3    4    5    6    8   11   14   17   22   26   43   72   83   86   91   96  101  108  113 
LCS_GDT     W   294_A     W   294_A      3    5   20      3    3    7   10   14   18   21   22   23   25   27   32   67   78   86   91   96   99  108  113 
LCS_GDT     G   295_A     G   295_A      4   10   17      3    5    7    8   10   11   15   18   23   27   56   66   75   78   87   91   98  104  108  113 
LCS_GDT     R   296_A     R   296_A      4   10   16      3    5    7    8    9   10   12   18   20   27   56   66   72   78   87   91   96  101  108  113 
LCS_GDT     K   297_A     K   297_A      4   10   16      3    4    6    8    9   13   14   16   23   24   32   57   68   76   82   88   95   98  106  113 
LCS_GDT     G   298_A     G   298_A      4   10   16      3    5    7    8    9    9   11   12   17   19   25   28   32   54   75   80   88   94   98  103 
LCS_GDT     R   299_A     R   299_A      4   10   16      3    5    7    8    9    9   11   13   17   19   25   28   44   54   75   80   89   94   99  103 
LCS_GDT     G   300_A     G   300_A      4   10   16      3    5    7    8    9    9   11   13   17   19   25   28   46   58   65   81   89   94   99  103 
LCS_GDT     K   301_A     K   301_A      6   10   16      3    5    6    8    9    9   10   10   13   16   17   21   23   27   30   33   47   57   68   85 
LCS_GDT     S   302_A     S   302_A      6   10   16      4    5    7    8    9    9   10   10   13   16   17   19   21   25   29   32   47   53   68   85 
LCS_GDT     P   303_A     P   303_A      6   10   16      4    5    6    7    9    9   10   10   11   12   16   19   20   24   29   32   35   41   48   55 
LCS_GDT     L   304_A     L   304_A      6   10   16      4    5    7    8    9    9   10   10   13   16   17   19   21   25   29   32   35   41   48   53 
LCS_GDT     Y   305_A     Y   305_A      6    8   16      4    5    6    7    9    9   10   10   13   16   17   19   21   25   29   32   36   41   48   53 
LCS_GDT     D   306_A     D   306_A      6    8   16      3    5    6    7    9    9    9   10   13   16   17   19   21   24   29   32   36   41   48   53 
LCS_GDT     F   307_A     F   307_A      3    4   16      3    4    4    4    5    7    9   10   13   16   17   19   21   25   29   32   36   41   48   53 
LCS_GDT     D   308_A     D   308_A      3    4   16      3    4    4    4    5    5    6    7    9   10   11   15   18   23   25   30   36   40   48   53 
LCS_GDT     V   309_A     V   309_A      3    4   14      3    3    3    4    5    5    6    9   10   10   12   16   18   21   25   30   36   39   44   50 
LCS_AVERAGE  LCS_A:  11.48  (   4.79    8.98   20.66 )

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     23     37     48     58     68     75     80     84     86     89     92     94     96     99    102    103    107    108    113    117 
GDT PERCENT_AT   7.96  12.80  16.61  20.07  23.53  25.95  27.68  29.07  29.76  30.80  31.83  32.53  33.22  34.26  35.29  35.64  37.02  37.37  39.10  40.48
GDT RMS_LOCAL    0.31   0.61   0.92   1.19   1.54   1.67   1.85   2.02   2.09   2.28   2.48   2.64   2.82   3.52   3.77   3.84   4.41   4.62   5.46   5.79
GDT RMS_ALL_AT  21.19  21.04  20.39  20.43  19.84  19.91  19.77  19.59  19.61  19.65  19.88  19.79  19.97  18.29  18.44  18.47  18.16  18.03  17.68  17.53

# Checking swapping
#   possible swapping detected:  E    10_A      E    10_A
#   possible swapping detected:  F    46_A      F    46_A
#   possible swapping detected:  E    71_A      E    71_A
#   possible swapping detected:  E    73_A      E    73_A
#   possible swapping detected:  F    82_A      F    82_A
#   possible swapping detected:  Y    89_A      Y    89_A
#   possible swapping detected:  D   100_A      D   100_A
#   possible swapping detected:  F   107_A      F   107_A
#   possible swapping detected:  Y   145_A      Y   145_A
#   possible swapping detected:  F   147_A      F   147_A
#   possible swapping detected:  E   148_A      E   148_A
#   possible swapping detected:  F   176_A      F   176_A
#   possible swapping detected:  D   186_A      D   186_A
#   possible swapping detected:  D   201_A      D   201_A
#   possible swapping detected:  E   205_A      E   205_A
#   possible swapping detected:  E   209_A      E   209_A
#   possible swapping detected:  D   237_A      D   237_A
#   possible swapping detected:  Y   272_A      Y   272_A
#   possible swapping detected:  E   273_A      E   273_A
#   possible swapping detected:  F   277_A      F   277_A
#   possible swapping detected:  E   280_A      E   280_A
#   possible swapping detected:  D   283_A      D   283_A
#   possible swapping detected:  Y   284_A      Y   284_A
#   possible swapping detected:  D   308_A      D   308_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    N     7_A      N     7_A    16.228     0    0.054   0.301    17.686    0.000    0.000
LGA    N     8_A      N     8_A    13.676     0    0.228   0.499    14.849    0.000    0.000
LGA    N     9_A      N     9_A    13.121     0    0.612   0.743    16.499    0.000    0.000
LGA    E    10_A      E    10_A    14.138     0    0.144   1.078    15.658    0.000    0.000
LGA    S    11_A      S    11_A    18.921     0    0.584   0.931    22.589    0.000    0.000
LGA    L    12_A      L    12_A    18.568     0    0.104   0.888    23.482    0.000    0.000
LGA    N    13_A      N    13_A    16.523     0    0.102   0.222    17.210    0.000    0.000
LGA    R    14_A      R    14_A    15.800     0    0.108   1.436    16.678    0.000    0.000
LGA    F    15_A      F    15_A    19.229     0    0.213   0.384    20.968    0.000    0.000
LGA    N    16_A      N    16_A    19.246     0    0.056   0.817    20.303    0.000    0.000
LGA    D    17_A      D    17_A    18.929     0    0.051   0.183    20.796    0.000    0.000
LGA    I    18_A      I    18_A    21.601     0    0.198   1.297    22.511    0.000    0.000
LGA    I    19_A      I    19_A    22.192     0    0.008   0.978    23.732    0.000    0.000
LGA    Q    20_A      Q    20_A    22.177     0    0.013   0.194    22.209    0.000    0.000
LGA    S    21_A      S    21_A    22.046     0    0.066   0.663    23.541    0.000    0.000
LGA    L    22_A      L    22_A    22.674     0    0.031   1.233    23.180    0.000    0.000
LGA    P    23_A      P    23_A    23.163     0    0.114   0.170    23.771    0.000    0.000
LGA    A    24_A      A    24_A    22.514     0    0.040   0.044    23.004    0.000    0.000
LGA    R    25_A      R    25_A    22.915     0    0.542   1.627    23.409    0.000    0.000
LGA    T    26_A      T    26_A    22.999     0    0.642   0.562    23.513    0.000    0.000
LGA    R    27_A      R    27_A    26.425     0    0.605   0.502    34.051    0.000    0.000
LGA    L    28_A      L    28_A    26.373     0    0.594   0.540    27.943    0.000    0.000
LGA    T    29_A      T    29_A    26.778     0    0.636   0.935    29.417    0.000    0.000
LGA    I    30_A      I    30_A    28.433     0    0.607   1.049    29.292    0.000    0.000
LGA    C    31_A      C    31_A    31.363     0    0.638   0.795    36.482    0.000    0.000
LGA    S    32_A      S    32_A    29.241     0    0.067   0.607    32.142    0.000    0.000
LGA    L    33_A      L    33_A    30.105     0    0.050   1.241    34.350    0.000    0.000
LGA    C    34_A      C    34_A    26.518     0    0.215   0.229    28.477    0.000    0.000
LGA    L    35_A      L    35_A    25.164     0    0.266   1.278    25.995    0.000    0.000
LGA    L    36_A      L    36_A    27.905     0    0.067   0.619    31.010    0.000    0.000
LGA    D    37_A      D    37_A    26.281     0    0.554   0.903    26.842    0.000    0.000
LGA    N    38_A      N    38_A    25.122     0    0.116   1.302    28.130    0.000    0.000
LGA    I    39_A      I    39_A    25.111     0    0.031   1.320    29.720    0.000    0.000
LGA    S    40_A      S    40_A    20.588     0    0.129   0.135    22.951    0.000    0.000
LGA    T    41_A      T    41_A    17.166     0    0.010   0.038    18.907    0.000    0.000
LGA    Q    42_A      Q    42_A    17.736     0    0.041   0.567    25.237    0.000    0.000
LGA    L    43_A      L    43_A    16.627     0    0.004   0.123    18.936    0.000    0.000
LGA    L    44_A      L    44_A    13.807     0    0.020   1.400    18.284    0.000    0.000
LGA    R    45_A      R    45_A    12.992     0    0.098   1.337    14.112    0.000    0.000
LGA    F    46_A      F    46_A    15.043     0    0.035   0.215    20.255    0.000    0.000
LGA    L    47_A      L    47_A    13.291     0    0.087   1.248    14.388    0.000    0.000
LGA    I    48_A      I    48_A    14.726     0    0.010   0.625    17.170    0.000    0.000
LGA    L    49_A      L    49_A    17.167     0    0.072   0.616    20.018    0.000    0.000
LGA    N    50_A      N    50_A    18.233     0    0.018   0.062    20.869    0.000    0.000
LGA    A    51_A      A    51_A    18.049     0    0.054   0.054    20.336    0.000    0.000
LGA    N    52_A      N    52_A    23.983     0    0.389   0.467    26.409    0.000    0.000
LGA    S    53_A      S    53_A    25.148     0    0.190   0.550    25.148    0.000    0.000
LGA    P    54_A      P    54_A    25.667     0    0.445   0.388    28.845    0.000    0.000
LGA    N    55_A      N    55_A    20.602     0    0.117   1.020    24.164    0.000    0.000
LGA    I    56_A      I    56_A    19.682     0    0.631   1.690    22.539    0.000    0.000
LGA    I    57_A      I    57_A    18.846     0    0.588   0.617    20.611    0.000    0.000
LGA    A    58_A      A    58_A    16.006     0    0.613   0.600    17.025    0.000    0.000
LGA    V    59_A      V    59_A    12.320     0    0.013   0.377    15.711    0.000    0.408
LGA    L    60_A      L    60_A    18.186     0    0.065   0.086    24.278    0.000    0.000
LGA    T    61_A      T    61_A    20.030     0    0.696   0.733    23.696    0.000    0.000
LGA    D    62_A      D    62_A    23.999     0    0.138   1.251    26.785    0.000    0.000
LGA    Q    63_A      Q    63_A    27.319     0    0.632   0.966    30.260    0.000    0.000
LGA    S    69_A      S    69_A    27.972     0    0.590   0.743    29.642    0.000    0.000
LGA    G    70_A      G    70_A    27.268     0    0.017   0.017    27.592    0.000    0.000
LGA    E    71_A      E    71_A    23.256     0    0.020   1.207    24.695    0.000    0.000
LGA    T    72_A      T    72_A    24.297     0    0.012   0.081    25.689    0.000    0.000
LGA    E    73_A      E    73_A    26.441     0    0.015   1.346    30.613    0.000    0.000
LGA    I    74_A      I    74_A    23.398     0    0.017   0.097    24.497    0.000    0.000
LGA    F    75_A      F    75_A    21.098     0    0.026   0.138    21.997    0.000    0.000
LGA    Q    76_A      Q    76_A    23.896     0    0.030   0.039    27.809    0.000    0.000
LGA    T    77_A      T    77_A    24.016     0    0.025   0.095    25.914    0.000    0.000
LGA    L    78_A      L    78_A    19.987     0    0.061   1.254    21.422    0.000    0.000
LGA    V    79_A      V    79_A    20.671     0    0.008   1.327    22.693    0.000    0.000
LGA    K    80_A      K    80_A    23.893     0    0.062   0.956    29.661    0.000    0.000
LGA    L    81_A      L    81_A    21.491     0    0.021   1.379    22.233    0.000    0.000
LGA    F    82_A      F    82_A    18.425     0    0.114   1.250    19.528    0.000    0.000
LGA    K    83_A      K    83_A    21.808     0    0.119   0.620    25.488    0.000    0.000
LGA    Q    84_A      Q    84_A    22.734     0    0.129   1.146    27.429    0.000    0.000
LGA    I    85_A      I    85_A    18.471     0    0.332   1.358    19.768    0.000    0.000
LGA    R    86_A      R    86_A    18.062     0    0.446   1.534    24.186    0.000    0.000
LGA    M    87_A      M    87_A    21.252     0    0.672   1.271    25.871    0.000    0.000
LGA    I    88_A      I    88_A    22.869     0    0.614   0.599    26.802    0.000    0.000
LGA    Y    89_A      Y    89_A    28.038     0    0.113   1.377    31.191    0.000    0.000
LGA    H    90_A      H    90_A    31.298     0    0.154   0.966    34.369    0.000    0.000
LGA    T    91_A      T    91_A    34.304     0    0.627   0.542    35.729    0.000    0.000
LGA    R    92_A      R    92_A    35.662     0    0.042   0.621    43.224    0.000    0.000
LGA    S    93_A      S    93_A    30.926     0    0.104   0.130    32.443    0.000    0.000
LGA    P    94_A      P    94_A    29.452     0    0.234   0.305    29.932    0.000    0.000
LGA    L    95_A      L    95_A    25.677     0    0.072   0.391    27.103    0.000    0.000
LGA    L    96_A      L    96_A    24.556     0    0.094   1.333    25.133    0.000    0.000
LGA    S    97_A      S    97_A    23.418     0    0.097   0.698    26.773    0.000    0.000
LGA    V    98_A      V    98_A    21.398     0    0.638   0.968    22.054    0.000    0.000
LGA    H    99_A      H    99_A    22.093     0    0.635   1.192    29.664    0.000    0.000
LGA    D   100_A      D   100_A    17.071     0    0.640   1.126    18.611    0.000    0.000
LGA    V   101_A      V   101_A    16.933     0    0.017   0.048    20.189    0.000    0.000
LGA    A   102_A      A   102_A    21.526     0    0.339   0.378    24.313    0.000    0.000
LGA    P   103_A      P   103_A    26.177     0    0.030   0.320    27.531    0.000    0.000
LGA    G   104_A      G   104_A    29.962     0    0.645   0.645    34.011    0.000    0.000
LGA    L   105_A      L   105_A    32.948     0    0.056   1.245    35.144    0.000    0.000
LGA    W   106_A      W   106_A    31.571     0    0.081   0.201    32.156    0.000    0.000
LGA    F   107_A      F   107_A    32.738     0    0.017   1.254    35.698    0.000    0.000
LGA    P   108_A      P   108_A    31.910     0    0.670   0.603    36.333    0.000    0.000
LGA    N   109_A      N   109_A    37.490     0    0.113   0.233    41.461    0.000    0.000
LGA    S   110_A      S   110_A    40.144     0    0.052   0.720    40.144    0.000    0.000
LGA    P   111_A      P   111_A    41.347     0    0.029   0.327    45.480    0.000    0.000
LGA    P   112_A      P   112_A    37.628     0    0.052   0.303    42.108    0.000    0.000
LGA    P   113_A      P   113_A    42.034     0    0.028   0.359    42.959    0.000    0.000
LGA    L   114_A      L   114_A    46.665     0    0.067   0.734    54.094    0.000    0.000
LGA    I   115_A      I   115_A    45.056     0    0.011   0.036    46.970    0.000    0.000
LGA    L   116_A      L   116_A    38.145     0    0.059   1.247    40.630    0.000    0.000
LGA    R   117_A      R   117_A    40.408     0    0.031   1.130    46.081    0.000    0.000
LGA    G   118_A      G   118_A    37.705     0    0.025   0.025    38.363    0.000    0.000
LGA    H   119_A      H   119_A    32.251     0    0.661   0.987    37.563    0.000    0.000
LGA    E   120_A      E   120_A    28.239     0    0.016   1.158    32.719    0.000    0.000
LGA    A   121_A      A   121_A    21.392     0    0.628   0.606    24.132    0.000    0.000
LGA    F   122_A      F   122_A    20.910     0    0.592   1.345    23.963    0.000    0.000
LGA    I   123_A      I   123_A    18.113     0    0.601   0.618    20.049    0.000    0.000
LGA    I   124_A      I   124_A    15.649     0    0.619   0.626    21.518    0.000    0.000
LGA    T   125_A      T   125_A    12.819     0    0.593   0.609    14.079    0.000    0.000
LGA    A   126_A      A   126_A    14.297     0    0.605   0.588    15.830    0.000    0.000
LGA    I   127_A      I   127_A    11.043     0    0.645   1.013    12.702    0.000    0.357
LGA    R   128_A      R   128_A    13.504     0    0.618   0.603    21.323    0.000    0.000
LGA    K   129_A      K   129_A    17.618     0    0.558   0.925    21.574    0.000    0.000
LGA    A   130_A      A   130_A    19.073     0    0.024   0.022    19.992    0.000    0.000
LGA    N   131_A      N   131_A    16.940     0    0.586   1.322    19.025    0.000    0.000
LGA    L   132_A      L   132_A    16.889     0    0.108   0.683    20.573    0.000    0.000
LGA    L   133_A      L   133_A    20.546     0    0.009   1.308    26.926    0.000    0.000
LGA    T   134_A      T   134_A    15.997     0    0.079   0.142    17.580    0.000    0.000
LGA    F   135_A      F   135_A    10.830     0    0.051   1.260    12.672    0.000   10.216
LGA    L   136_A      L   136_A    15.863     0    0.028   1.399    18.880    0.000    0.000
LGA    L   137_A      L   137_A    20.251     0    0.051   1.258    25.727    0.000    0.000
LGA    T   138_A      T   138_A    15.823     0    0.048   0.118    16.797    0.000    0.000
LGA    S   139_A      S   139_A    14.238     0    0.088   0.095    17.520    0.000    0.000
LGA    L   140_A      L   140_A    21.255     0    0.162   1.256    24.814    0.000    0.000
LGA    N   141_A      N   141_A    23.444     0    0.360   1.152    27.939    0.000    0.000
LGA    C   142_A      C   142_A    21.652     0    0.079   0.089    22.577    0.000    0.000
LGA    L   143_A      L   143_A    22.469     0    0.587   1.477    24.767    0.000    0.000
LGA    N   144_A      N   144_A    27.131     0    0.155   1.166    31.017    0.000    0.000
LGA    Y   145_A      Y   145_A    23.121     0    0.608   1.482    24.236    0.000    0.000
LGA    G   146_A      G   146_A    23.017     0    0.620   0.620    23.017    0.000    0.000
LGA    F   147_A      F   147_A    23.537     0    0.099   0.497    24.776    0.000    0.000
LGA    E   148_A      E   148_A    25.834     0    0.070   1.009    29.542    0.000    0.000
LGA    L   149_A      L   149_A    22.797     0    0.048   1.273    23.592    0.000    0.000
LGA    L   150_A      L   150_A    20.587     0    0.095   1.253    21.468    0.000    0.000
LGA    Q   151_A      Q   151_A    23.421     0    0.040   1.140    25.755    0.000    0.000
LGA    S   152_A      S   152_A    25.163     0    0.062   0.673    25.728    0.000    0.000
LGA    I   153_A      I   153_A    22.134     0    0.262   1.303    23.006    0.000    0.000
LGA    F   154_A      F   154_A    21.510     0    0.180   1.321    21.754    0.000    0.000
LGA    L   155_A      L   155_A    22.323     0    0.006   1.406    25.747    0.000    0.000
LGA    D   156_A      D   156_A    23.081     0    0.114   0.126    24.628    0.000    0.000
LGA    I   157_A      I   157_A    20.912     0    0.010   0.087    21.689    0.000    0.000
LGA    F   158_A      F   158_A    19.337     0    0.173   0.196    20.076    0.000    0.000
LGA    C   159_A      C   159_A    22.295     0    0.367   0.407    24.447    0.000    0.000
LGA    P   160_A      P   160_A    25.007     0    0.188   0.286    25.295    0.000    0.000
LGA    N   161_A      N   161_A    26.181     0    0.130   0.365    30.466    0.000    0.000
LGA    T   162_A      T   162_A    23.814     0    0.139   1.030    24.307    0.000    0.000
LGA    Q   172_A      Q   172_A    23.023     0    0.624   0.773    24.799    0.000    0.000
LGA    S   173_A      S   173_A    17.145     0    0.189   0.200    19.159    0.000    0.000
LGA    G   174_A      G   174_A    13.123     0    0.603   0.603    14.775    0.000    0.000
LGA    K   175_A      K   175_A    13.554     0    0.640   1.179    17.095    0.000    0.000
LGA    F   176_A      F   176_A    11.731     0    0.597   1.362    14.809    0.119    0.043
LGA    L   177_A      L   177_A     5.409     0    0.613   1.348     7.136   29.167   28.690
LGA    K   178_A      K   178_A     2.621     0    0.013   1.283     6.898   53.690   50.053
LGA    S   179_A      S   179_A     4.427     0    0.071   0.638     7.700   38.690   30.556
LGA    Q   180_A      Q   180_A     4.746     0    0.046   1.374     9.623   37.381   22.804
LGA    A   181_A      A   181_A     2.612     0    0.011   0.010     3.322   61.190   61.905
LGA    I   182_A      I   182_A     2.320     0    0.032   0.122     3.490   62.857   60.060
LGA    L   183_A      L   183_A     3.493     0    0.036   0.034     5.402   50.000   40.774
LGA    Y   184_A      Y   184_A     2.844     0    0.049   0.580     3.463   62.976   54.325
LGA    L   185_A      L   185_A     1.372     0    0.068   0.642     2.009   77.143   75.060
LGA    D   186_A      D   186_A     2.073     0    0.039   0.476     2.876   66.786   62.917
LGA    L   187_A      L   187_A     2.553     0    0.051   0.705     5.205   62.857   49.702
LGA    K   188_A      K   188_A     1.803     0    0.030   0.603     2.639   72.976   68.519
LGA    T   189_A      T   189_A     1.410     0    0.035   0.034     1.699   77.143   77.755
LGA    Q   190_A      Q   190_A     2.400     0    0.010   0.119     3.489   64.762   57.354
LGA    A   191_A      A   191_A     2.111     0    0.006   0.007     2.297   68.810   68.000
LGA    Y   192_A      Y   192_A     0.656     0    0.020   0.051     2.484   88.214   83.214
LGA    I   193_A      I   193_A     2.020     0    0.023   0.633     4.866   68.929   58.929
LGA    A   194_A      A   194_A     2.577     0    0.031   0.036     2.987   62.857   61.714
LGA    G   195_A      G   195_A     1.312     0    0.007   0.007     1.714   81.548   81.548
LGA    L   196_A      L   196_A     1.459     0    0.064   1.242     3.327   75.119   71.190
LGA    K   197_A      K   197_A     2.497     0    0.025   0.141     5.183   62.857   49.630
LGA    E   198_A      E   198_A     1.504     0    0.059   0.539     2.780   75.000   73.968
LGA    F   199_A      F   199_A     1.571     0    0.303   0.533     3.750   72.976   60.606
LGA    Q   200_A      Q   200_A     2.679     0    0.631   1.116     4.153   55.595   54.392
LGA    D   201_A      D   201_A     3.283     0    0.633   1.153     6.830   35.476   28.036
LGA    E   202_A      E   202_A    10.103     0    0.045   0.429    14.903    1.786    0.794
LGA    T   203_A      T   203_A    11.706     0    0.681   0.719    12.985    0.000    0.000
LGA    N   204_A      N   204_A    10.268     0    0.027   0.475    15.849    0.714    0.357
LGA    E   205_A      E   205_A     7.813     0    0.103   0.705    10.883    7.500    4.127
LGA    I   206_A      I   206_A     6.154     0    0.031   0.045     6.922   23.452   21.012
LGA    S   207_A      S   207_A     5.038     0    0.179   0.557     5.995   32.024   30.159
LGA    L   208_A      L   208_A     3.596     0    0.029   0.933     4.173   46.905   45.952
LGA    E   209_A      E   209_A     3.566     0    0.027   1.155     6.740   48.452   34.339
LGA    K   210_A      K   210_A     2.655     0    0.020   1.129     6.973   61.190   47.619
LGA    K   211_A      K   211_A     1.923     0    0.028   0.708     4.187   72.976   59.894
LGA    Q   212_A      Q   212_A     1.643     0    0.008   1.323     3.991   72.857   70.847
LGA    E   213_A      E   213_A     1.545     0    0.031   0.116     2.820   77.143   71.217
LGA    L   214_A      L   214_A     1.098     0    0.048   1.416     2.920   81.429   76.369
LGA    L   215_A      L   215_A     1.123     0    0.009   1.387     3.240   79.286   72.321
LGA    D   216_A      D   216_A     1.769     0    0.049   0.157     2.304   72.976   69.881
LGA    L   217_A      L   217_A     1.815     0    0.075   0.704     2.422   70.833   71.845
LGA    I   218_A      I   218_A     1.419     0    0.056   0.057     1.469   81.429   81.429
LGA    F   219_A      F   219_A     1.442     0    0.125   0.105     1.672   79.286   80.649
LGA    P   220_A      P   220_A     1.451     0    0.075   0.330     1.677   81.429   80.204
LGA    S   221_A      S   221_A     1.531     0    0.013   0.114     1.904   79.286   77.143
LGA    N   222_A      N   222_A     0.913     0    0.089   0.261     1.824   88.214   84.881
LGA    L   223_A      L   223_A     0.116     0    0.037   0.061     0.858   97.619   95.238
LGA    A   224_A      A   224_A     0.870     0    0.058   0.065     1.472   85.952   86.857
LGA    D   225_A      D   225_A     1.208     0    0.054   0.276     2.014   79.286   77.202
LGA    I   226_A      I   226_A     0.690     0    0.044   0.052     1.018   88.214   94.107
LGA    L   227_A      L   227_A     1.568     0    0.070   1.248     3.309   72.976   69.167
LGA    V   228_A      V   228_A     2.295     0    0.026   1.318     4.396   64.881   60.884
LGA    Q   229_A      Q   229_A     1.830     0    0.084   0.958     4.881   72.857   57.937
LGA    R   230_A      R   230_A     1.386     0    0.034   0.922     6.365   77.143   60.823
LGA    R   231_A      R   231_A     2.422     0    0.149   1.142     4.708   59.167   56.883
LGA    T   232_A      T   232_A     2.682     0    0.200   0.211     3.471   62.857   58.367
LGA    G   233_A      G   233_A     2.059     0    0.597   0.597     3.824   59.405   59.405
LGA    D   234_A      D   234_A     1.971     0    0.635   1.296     7.906   68.810   46.369
LGA    S   235_A      S   235_A     5.367     0    0.685   0.571     7.954   32.976   24.841
LGA    G   236_A      G   236_A     5.666     0    0.005   0.005     5.918   27.857   27.857
LGA    D   237_A      D   237_A     2.172     0    0.214   0.973     3.337   65.119   72.262
LGA    I   238_A      I   238_A     1.397     0    0.022   1.307     3.608   81.548   69.643
LGA    T   239_A      T   239_A     0.998     0    0.121   1.089     3.655   85.952   80.000
LGA    L   240_A      L   240_A     1.687     0    0.045   1.233     4.262   75.119   65.536
LGA    L   241_A      L   241_A     0.841     0    0.074   0.556     2.244   85.952   78.571
LGA    T   242_A      T   242_A     1.053     0    0.016   0.172     1.413   81.429   81.429
LGA    P   243_A      P   243_A     1.030     0    0.042   0.058     1.061   83.690   84.014
LGA    S   244_A      S   244_A     1.236     0    0.006   0.088     1.336   81.429   81.429
LGA    E   245_A      E   245_A     1.062     0    0.057   0.103     1.188   81.429   81.429
LGA    K   246_A      K   246_A     0.848     0    0.029   0.994     6.090   90.476   68.995
LGA    D   247_A      D   247_A     1.085     0    0.020   0.496     1.965   81.429   80.357
LGA    F   248_A      F   248_A     1.201     0    0.040   0.171     1.549   81.429   81.515
LGA    V   249_A      V   249_A     0.776     0    0.021   1.332     2.967   90.476   82.041
LGA    E   250_A      E   250_A     0.996     0    0.032   0.109     1.142   85.952   84.444
LGA    R   251_A      R   251_A     1.310     0    0.009   1.163     6.854   81.429   61.905
LGA    C   252_A      C   252_A     1.019     0    0.028   0.089     1.109   85.952   85.952
LGA    D   253_A      D   253_A     0.933     0    0.055   0.151     1.320   85.952   87.083
LGA    R   254_A      R   254_A     1.288     0    0.014   1.350     3.821   81.429   70.433
LGA    R   255_A      R   255_A     0.845     0    0.044   0.749     2.445   90.476   87.316
LGA    R   256_A      R   256_A     0.934     0    0.047   1.285     4.849   88.214   72.641
LGA    E   257_A      E   257_A     1.057     0    0.095   0.177     1.256   81.429   81.429
LGA    N   258_A      N   258_A     1.247     0    0.055   0.542     2.479   81.429   77.202
LGA    L   259_A      L   259_A     0.803     0    0.097   1.254     3.364   90.476   83.214
LGA    K   260_A      K   260_A     0.536     0    0.069   0.147     1.058   90.476   89.471
LGA    I   261_A      I   261_A     0.977     0    0.040   0.089     1.560   83.810   84.881
LGA    V   262_A      V   262_A     1.891     0    0.049   1.333     3.518   69.048   64.218
LGA    Q   263_A      Q   263_A     3.245     0    0.113   0.849     4.030   51.786   54.550
LGA    D   264_A      D   264_A     2.850     0    0.105   0.482     3.540   57.143   61.488
LGA    F   265_A      F   265_A     3.572     0    0.000   0.138     5.396   48.333   36.667
LGA    N   266_A      N   266_A     2.633     0    0.126   0.921     2.873   59.048   65.000
LGA    S   267_A      S   267_A     1.567     0    0.137   0.136     2.377   68.810   71.587
LGA    L   268_A      L   268_A     3.727     0    0.181   1.291     6.021   45.000   43.810
LGA    T   269_A      T   269_A     4.265     0    0.669   1.269     6.121   45.357   37.347
LGA    Q   270_A      Q   270_A     4.024     0    0.247   0.903     6.821   26.190   33.228
LGA    S   271_A      S   271_A     9.377     0    0.595   0.835    12.912    3.333    2.222
LGA    Y   272_A      Y   272_A    10.934     0    0.537   1.204    20.106    0.714    0.238
LGA    E   273_A      E   273_A     7.692     0    0.615   1.023     8.782   12.143   10.106
LGA    W   274_A      W   274_A     1.832     0    0.078   0.071     7.186   61.548   35.578
LGA    A   275_A      A   275_A     5.787     0    0.022   0.025     9.269   20.000   18.667
LGA    Q   276_A      Q   276_A    10.002     0    0.032   1.357    16.747    1.905    0.847
LGA    F   277_A      F   277_A     6.930     0    0.059   1.436     7.877   10.952   28.312
LGA    I   278_A      I   278_A     7.770     0    0.016   0.097    11.847    6.071    7.917
LGA    R   279_A      R   279_A    14.229     0    0.052   1.017    17.324    0.000    0.000
LGA    E   280_A      E   280_A    14.964     0    0.014   1.158    19.306    0.000    0.000
LGA    L   281_A      L   281_A    11.323     0    0.036   0.085    14.345    0.000    3.512
LGA    L   282_A      L   282_A    16.939     0    0.050   1.412    20.592    0.000    0.000
LGA    D   283_A      D   283_A    21.335     0    0.012   1.075    25.937    0.000    0.000
LGA    Y   284_A      Y   284_A    19.081     0    0.100   1.088    20.583    0.000    0.000
LGA    C   285_A      C   285_A    19.284     0    0.017   0.059    23.300    0.000    0.000
LGA    N   286_A      N   286_A    26.118     0    0.161   0.819    29.827    0.000    0.000
LGA    K   287_A      K   287_A    27.783     0    0.183   0.222    29.724    0.000    0.000
LGA    N   288_A      N   288_A    24.800     0    0.231   0.385    27.848    0.000    0.000
LGA    M   289_A      M   289_A    20.354     0    0.623   1.184    22.219    0.000    0.000
LGA    G   290_A      G   290_A    20.191     0    0.582   0.582    20.356    0.000    0.000
LGA    L   291_A      L   291_A    15.879     0    0.604   0.805    17.363    0.000    0.000
LGA    I   292_A      I   292_A    10.174     0    0.612   0.951    11.727    0.119    3.571
LGA    I   293_A      I   293_A    12.642     0    0.615   0.972    15.379    0.000    0.000
LGA    W   294_A      W   294_A    13.890     0    0.690   0.643    15.687    0.000    0.000
LGA    G   295_A      G   295_A    14.901     0    0.607   0.607    15.051    0.000    0.000
LGA    R   296_A      R   296_A    16.258     0    0.081   1.123    19.666    0.000    0.000
LGA    K   297_A      K   297_A    17.746     0    0.576   0.948    19.143    0.000    0.000
LGA    G   298_A      G   298_A    22.442     0    0.064   0.064    22.551    0.000    0.000
LGA    R   299_A      R   299_A    24.321     0    0.143   1.512    26.740    0.000    0.000
LGA    G   300_A      G   300_A    24.450     0    0.573   0.573    25.028    0.000    0.000
LGA    K   301_A      K   301_A    27.638     0    0.065   0.112    35.248    0.000    0.000
LGA    S   302_A      S   302_A    26.839     0    0.101   0.533    31.013    0.000    0.000
LGA    P   303_A      P   303_A    31.782     0    0.062   0.072    34.142    0.000    0.000
LGA    L   304_A      L   304_A    30.770     0    0.076   1.204    33.657    0.000    0.000
LGA    Y   305_A      Y   305_A    32.717     0    0.603   1.382    34.851    0.000    0.000
LGA    D   306_A      D   306_A    38.301     0    0.629   0.806    42.127    0.000    0.000
LGA    F   307_A      F   307_A    42.244     0    0.227   1.353    45.125    0.000    0.000
LGA    D   308_A      D   308_A    43.337     0    0.619   1.558    46.272    0.000    0.000
LGA    V   309_A      V   309_A    47.414     2    0.052   0.059    51.367    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      289    1156   1156  100.00    2335   2335  100.00               289
SUMMARY(RMSD_GDC):    17.022         17.019                 17.287           21.987   20.594

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  310  289    4.0     84    2.02    24.394    21.644     3.954

LGA_LOCAL      RMSD:   2.024  Number of atoms:   84  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  19.591  Number of assigned atoms:  289 
Std_ASGN_ATOMS RMSD:  17.022  Standard rmsd on all 289 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.970864 * X  +  -0.087545 * Y  +   0.223068 * Z  +  -0.137673
  Y_new =   0.102925 * X  +  -0.992981 * Y  +   0.058263 * Z  +  27.529100
  Z_new =   0.216402 * X  +   0.079524 * Y  +   0.973060 * Z  +  -3.758234 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  3.035973 -0.218128  0.081545   [DEG:  173.9484  -12.4978    4.6722 ]
ZXZ:  1.826276  0.232644  1.218631   [DEG:  104.6379   13.3295   69.8224 ]
 
# END of job
