
#######################################################
#                                                     #
#                        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  243 ( 1952),  selected  222 , name one
# Molecule2: number of CA atoms  222 ( 1756),  selected  222 , 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:    96     106_A - 201_A       5.00    17.41
  LONGEST_CONTINUOUS_SEGMENT:    96     107_A - 202_A       4.97    17.28
  LCS_AVERAGE:     25.07

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    42     149_A - 190_A       1.98    16.77
  LCS_AVERAGE:      8.24

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    24     114_A - 137_A       0.95    17.31
  LONGEST_CONTINUOUS_SEGMENT:    24     115_A - 138_A       0.85    17.28
  LONGEST_CONTINUOUS_SEGMENT:    24     116_A - 139_A       0.95    17.21
  LCS_AVERAGE:      3.72

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  222
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    22_A     G    22_A      3    3    9      0    3    3    3    3    3    4    5    6    6    8    8   10   10   12   12   13   13   15   17 
LCS_GDT     S    23_A     S    23_A      3    3    9      3    3    3    3    4    4    4    5    6    8    8    8   10   11   12   12   13   14   15   17 
LCS_GDT     F    24_A     F    24_A      3    3   10      3    3    3    3    4    4    5    5    6    8    8    8   10   11   12   12   13   14   15   18 
LCS_GDT     Q    25_A     Q    25_A      3    3   11      3    3    3    3    4    4    5    5    6    8    8   13   14   15   15   18   19   20   27   44 
LCS_GDT     Y    26_A     Y    26_A      3    3   11      3    3    3    3    5    6    6    8    9   10   10   13   16   20   28   30   35   38   50   57 
LCS_GDT     M    27_A     M    27_A      3    3   11      3    3    3    3    5    6    6    8    9   10   10   13   14   20   28   30   32   47   57   67 
LCS_GDT     K    28_A     K    28_A      3    3   11      3    3    3    3    3    4    5    7    8    9   12   14   22   28   30   38   46   60   68   90 
LCS_GDT     D    29_A     D    29_A      3    5   27      3    3    3    4    5    7   15   21   29   36   54   66   87   99  104  108  115  117  122  127 
LCS_GDT     L    30_A     L    30_A      3    5   27      3    3    4    4    6   12   17   24   37   55   71   79   92  101  106  112  115  119  123  127 
LCS_GDT     N    31_A     N    31_A      3    5   27      3    3    4    4    8   14   19   33   61   80   94   99  102  108  111  114  117  119  123  127 
LCS_GDT     K    32_A     K    32_A      3    5   27      3    3    4   20   35   44   67   75   85   92   97  101  104  108  111  114  117  119  123  127 
LCS_GDT     H    33_A     H    33_A      7   19   27      4   15   40   64   75   81   89   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     I    34_A     I    34_A      7   19   27      6   22   51   65   76   83   89   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     P    35_A     P    35_A      7   19   27      4   14   44   64   76   81   89   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     F    36_A     F    36_A      7   19   27      4   14   44   65   76   83   89   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     Y    37_A     Y    37_A      7   19   27     11   36   51   65   76   83   89   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     H    38_A     H    38_A      7   19   27     11   24   51   65   76   83   89   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     I    39_A     I    39_A      7   19   27     11   22   51   65   76   83   89   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     E    40_A     E    40_A      7   19   27      9   32   51   65   76   83   89   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     D    41_A     D    41_A      5   19   27      3    6   15   29   49   77   85   92   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     S    42_A     S    42_A     10   19   27     11   37   51   63   76   83   89   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     K    43_A     K    43_A     10   19   27      6   35   51   65   76   83   89   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     F    44_A     F    44_A     10   19   27     21   38   51   65   76   83   89   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     K    45_A     K    45_A     10   19   27     21   38   51   65   76   83   89   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     H    46_A     H    46_A     10   19   27     21   38   51   65   76   83   89   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     Y    47_A     Y    47_A     10   19   27     21   38   51   65   76   83   89   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     G    48_A     G    48_A     10   19   27     21   38   51   65   76   83   89   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     K    49_A     K    49_A     10   19   27     21   38   51   65   76   83   89   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     V    50_A     V    50_A     10   19   27     10   35   51   65   76   83   89   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     I    51_A     I    51_A     10   19   27      7   26   44   63   76   83   89   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     N    52_A     N    52_A      9   19   27      7   18   32   46   66   80   88   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     E    53_A     E    53_A      6   12   27      3    6   13   22   39   67   77   88   95   97   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     Y    54_A     Y    54_A      4    6   27      3    4    4   12   16   26   32   43   61   69   78   85   92  102  106  111  114  118  123  127 
LCS_GDT     D    55_A     D    55_A      4    6   27      3    4    4    6    8   13   18   31   38   47   68   78   87   94  104  108  111  118  121  125 
LCS_GDT     F    56_A     F    56_A      4    6   27      3    4    4    6    9   15   16   27   32   43   54   66   82   92  100  106  111  115  121  123 
LCS_GDT     N    57_A     N    57_A      4    6   24      3    4    4    5    7    9   11   17   24   29   34   38   44   51   70   74   89  100  104  114 
LCS_GDT     E    58_A     E    58_A      3    5   24      3    3    3    5    6   10   13   19   24   29   34   38   44   51   54   58   66   76   99  105 
LCS_GDT     L    59_A     L    59_A      3    4   24      3    3    3    4    7    9   13   16   21   24   30   35   41   51   54   58   65   72   79   84 
LCS_GDT     E    60_A     E    60_A      3    4   24      3    3    3    5    8   10   12   16   17   19   30   35   40   45   50   53   63   69   79   84 
LCS_GDT     T    61_A     T    61_A      3    4   24      3    4    5    6    8   10   13   16   21   24   30   35   44   51   54   58   65   72   79   84 
LCS_GDT     Y    62_A     Y    62_A      3    4   24      3    4    5    5    5    5    8   15   18   20   30   35   40   45   51   58   65   72   79   84 
LCS_GDT     M    63_A     M    63_A      3    4   24      3    4    5    5    6    9   13   16   21   24   30   38   44   51   54   58   65   72   79   84 
LCS_GDT     D    64_A     D    64_A      3    6   24      1    3    4    6   11   12   14   17   24   29   34   38   44   51   55   61   76   80   91   99 
LCS_GDT     S    65_A     S    65_A      4    6   24      3    4    5    7   11   12   14   17   24   29   34   38   44   51   55   61   66   80   87   96 
LCS_GDT     L    66_A     L    66_A      4    6   24      3    4    5    7   11   12   14   17   24   29   34   38   44   51   55   61   66   72   80   94 
LCS_GDT     T    67_A     T    67_A      4    6   24      3    4    5    7   11   12   14   17   24   29   34   38   44   51   55   61   66   72   87   94 
LCS_GDT     I    68_A     I    68_A      4   10   24      3    4    5    8   11   12   13   17   21   24   30   38   44   51   54   61   66   72   80   86 
LCS_GDT     P    69_A     P    69_A      4   10   24      3    4    5    6   11   12   13   17   19   25   31   38   44   51   54   58   65   72   79   84 
LCS_GDT     Q    70_A     Q    70_A      4   10   24      3    4    7    8    9   10   13   17   21   27   31   38   44   51   54   58   66   72   79   84 
LCS_GDT     D    71_A     D    71_A      3   10   24      3    3    4    7    9    9   12   14   16   23   30   37   44   51   54   58   65   72   79   84 
LCS_GDT     Q    72_A     Q    72_A      6   10   24      5    6    7    8    9    9   10   16   19   23   30   35   44   51   54   58   65   72   79   84 
LCS_GDT     N    73_A     N    73_A      6   10   24      5    6    7    8    9    9   12   14   19   23   30   35   40   48   54   58   65   70   78   84 
LCS_GDT     V    74_A     V    74_A      6   10   24      5    6    7    8    9    9   12   16   21   24   30   35   44   51   54   58   65   72   79   84 
LCS_GDT     Y    75_A     Y    75_A      6   10   24      5    6    7    8    9    9   12   14   16   19   30   35   40   45   52   58   64   72   78   84 
LCS_GDT     V    76_A     V    76_A      6   10   24      5    6    7    8    9    9   12   14   19   24   30   35   42   51   54   58   65   72   79   84 
LCS_GDT     A    77_A     A    77_A      6   10   24      4    6    7    8    9    9   12   14   16   19   22   25   29   45   50   54   63   68   77   82 
LCS_GDT     S    78_A     S    78_A      4    8   24      3    3    4    5    7    9   12   14   17   21   30   35   40   45   50   58   65   72   79   86 
LCS_GDT     V    79_A     V    79_A      4    6   24      1    3    4    5    8    9   10   13   17   18   22   29   30   34   46   54   64   72   80   92 
LCS_GDT     T    80_A     T    80_A      4    6   23      0    3    4    5    6    7   10   13   16   17   18   19   24   27   36   45   55   62   80   87 
LCS_GDT     E    81_A     E    81_A      3    6   23      3    3    3    5    7    8   10   13   16   19   22   22   24   28   30   34   55   62   80   86 
LCS_GDT     M    82_A     M    82_A      3    6   23      3    3    4    5    7    9   12   14   16   19   22   22   28   34   65   87   93  101  111  116 
LCS_GDT     E    83_A     E    83_A      3    6   23      3    3    3    3    6    9   12   14   16   19   22   22   28   34   47   60   84   91  105  111 
LCS_GDT     N    84_A     N    84_A      3    6   23      3    3    3    5    5    6   11   14   16   19   22   22   26   29   32   35   39   50   85   89 
LCS_GDT     T    85_A     T    85_A      3    6   23      0    3    4    5    6    9   11   14   16   19   22   22   24   27   28   43   48   57   66   70 
LCS_GDT     I    86_A     I    86_A      4    6   23      4    4    4    5    6    9   12   15   18   19   22   25   29   34   39   43   48   57   85   96 
LCS_GDT     I    87_A     I    87_A      4    6   23      4    4    4    5    6   10   12   15   18   19   22   25   53   61   70   74   92   95   97  104 
LCS_GDT     K    88_A     K    88_A      4    5   23      4    4    4    5    5    5    6    7    8   29   36   45   66   72   79   95   99  103  111  114 
LCS_GDT     N    89_A     N    89_A      4    5   23      4    4    4    5    5    7    8   18   29   42   75   78   87   92   95  106  107  110  117  119 
LCS_GDT     Q    90_A     Q    90_A      3    5   23      3    3    3    5    6    7    8   37   50   70   75   78   94  101  104  107  109  114  118  124 
LCS_GDT     L    91_A     L    91_A      3    3   23      3    3    3    4   36   49   66   77   88   95   99  101  104  107  111  114  117  119  123  127 
LCS_GDT     Q    92_A     Q    92_A      3    3   20      3    7   20   39   59   72   77   89   95   96   99  101  105  107  111  114  117  119  123  127 
LCS_GDT     E    93_A     E    93_A      3    3   12      3    3    3    3    4    9   28   42   68   75   83   90   98  105  111  114  116  119  123  127 
LCS_GDT     A    94_A     A    94_A      3    3   12      3    3    3    3    4   18   28   39   53   59   70   81   86   90   94  101  107  112  118  122 
LCS_GDT     F    95_A     F    95_A      4    4   11      3    3    4    7   11   18   26   36   43   53   62   72   81   86   91   97  102  110  113  122 
LCS_GDT     Y    96_A     Y    96_A      4    4   12      3    3    4    4    6   12   20   27   36   44   55   60   70   76   84   89   93  102  106  111 
LCS_GDT     G    97_A     G    97_A      4    6   12      3    3    4    7    9   11   12   16   19   24   29   36   47   54   60   63   72   78   86   96 
LCS_GDT     E    98_A     E    98_A      4    6   12      4    4    4    5    6    7   12   16   19   24   27   29   33   40   46   54   58   61   69   78 
LCS_GDT     M    99_A     M    99_A      4    6   12      4    4    4    5    6    7    9   16   19   24   27   29   33   34   35   54   58   62   69   78 
LCS_GDT     S   100_A     S   100_A      4    6   12      4    4    4    5    6    8    8    9   19   24   27   29   33   34   35   35   58   61   66   75 
LCS_GDT     I   101_A     I   101_A      4    6   12      4    4    4    4    6   11   12   16   19   24   27   29   33   40   46   54   58   61   69   75 
LCS_GDT     Q   102_A     Q   102_A      5    6   12      3    4    5    5    6    7    8   11   12   24   27   31   34   40   46   56   58   72   89   96 
LCS_GDT     I   103_A     I   103_A      5    5   12      4    4    5    5    6    7    7    8   10   11   14   16   20   33   37   49   58   67   77   87 
LCS_GDT     G   104_A     G   104_A      5    5   87      4    4    5    5    5    5    7   10   17   26   35   43   50   58   66   75   80   89   95  101 
LCS_GDT     Y   105_A     Y   105_A      5    5   92      4    4    5    5    5   10   16   18   24   32   38   47   53   62   70   78   86   93   98  103 
LCS_GDT     C   106_A     C   106_A      5    7   96      4    4    5    5    7    7    8   10   15   16   18   23   36   44   53   65   75   88  100  109 
LCS_GDT     N   107_A     N   107_A      5    7   96      3    4    5    6    7    8   10   16   22   34   49   61   71   81   89   95   98  109  116  118 
LCS_GDT     G   108_A     G   108_A      5    7   96      3    4    5    9   12   27   40   55   68   77   83   87   98  102  108  114  116  119  123  127 
LCS_GDT     P   109_A     P   109_A      5   19   96      3   11   26   40   56   67   75   82   89   95   98  100  105  107  111  114  117  119  123  127 
LCS_GDT     N   110_A     N   110_A      5   30   96      3    4    9   25   43   59   70   79   82   90   97  100  103  107  111  114  117  119  123  127 
LCS_GDT     S   111_A     S   111_A     14   30   96      5   21   37   52   66   76   86   93   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     T   112_A     T   112_A     14   30   96      5   13   36   53   67   79   88   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     L   113_A     L   113_A     14   30   96      5   26   42   63   72   83   89   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     N   114_A     N   114_A     24   30   96      4   26   39   62   70   82   89   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     G   115_A     G   115_A     24   30   96      6   26   46   63   76   83   89   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     L   116_A     L   116_A     24   30   96     18   38   51   65   76   83   89   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     E   117_A     E   117_A     24   30   96     21   38   51   65   76   83   89   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     Y   118_A     Y   118_A     24   30   96     21   38   51   65   76   83   89   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     H   119_A     H   119_A     24   30   96     21   38   51   65   76   83   89   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     K   120_A     K   120_A     24   30   96     21   38   51   65   76   83   89   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     S   121_A     S   121_A     24   30   96     15   38   51   65   76   83   89   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     S   122_A     S   122_A     24   30   96     11   38   51   65   76   83   89   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     E   123_A     E   123_A     24   30   96     21   38   51   65   76   83   89   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     I   124_A     I   124_A     24   30   96      9   38   51   65   76   83   89   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     N   125_A     N   125_A     24   30   96     21   38   51   65   76   83   89   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     I   126_A     I   126_A     24   30   96     21   38   51   65   76   83   89   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     A   127_A     A   127_A     24   30   96      9   38   51   65   76   83   89   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     I   128_A     I   128_A     24   30   96     10   38   51   65   76   83   89   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     T   129_A     T   129_A     24   30   96     21   38   51   65   76   83   89   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     D   130_A     D   130_A     24   30   96     21   38   51   65   76   83   89   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     M   131_A     M   131_A     24   30   96     21   38   51   65   76   83   89   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     V   132_A     V   132_A     24   30   96     21   38   51   65   76   83   89   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     L   133_A     L   133_A     24   30   96     21   38   51   65   76   83   89   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     L   134_A     L   134_A     24   30   96     11   38   51   65   76   83   89   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     L   135_A     L   135_A     24   30   96     11   38   51   65   76   83   89   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     G   136_A     G   136_A     24   30   96     13   38   51   65   76   83   89   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     K   137_A     K   137_A     24   30   96      5   26   51   64   76   83   89   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     V   138_A     V   138_A     24   30   96      5   21   45   63   76   83   89   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     Q   139_A     Q   139_A     24   30   96      4   10   38   62   73   81   89   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     E   140_A     E   140_A      4   29   96      4    4    4   16   21   29   47   63   81   89   95  101  105  108  111  114  117  119  123  127 
LCS_GDT     V   141_A     V   141_A      4    5   96      4    4    5   20   32   38   53   73   82   97   99  101  105  108  110  114  116  119  122  127 
LCS_GDT     E   142_A     E   142_A      4   33   96      4   11   24   41   67   79   88   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     N   143_A     N   143_A      3   33   96      6   26   50   63   76   83   89   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     N   144_A     N   144_A      3   33   96      3   10   38   58   73   83   89   94   96   98   99  101  105  107  111  114  117  119  123  127 
LCS_GDT     V   145_A     V   145_A      9   33   96      3    8   13   32   62   78   89   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     F   146_A     F   146_A     11   33   96      4    8   22   39   69   83   89   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     H   147_A     H   147_A     11   33   96      4   11   23   49   69   81   89   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     S   148_A     S   148_A     11   33   96      4   21   43   63   73   83   89   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     N   149_A     N   149_A     11   42   96      6   33   50   63   76   83   89   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     D   150_A     D   150_A     11   42   96      6   35   50   63   76   83   89   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     V   151_A     V   151_A     11   42   96      9   36   51   65   76   83   89   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     I   152_A     I   152_A     11   42   96     21   38   51   65   76   83   89   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     A   153_A     A   153_A     12   42   96     21   38   51   65   76   83   89   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     F   154_A     F   154_A     12   42   96     17   38   51   65   76   83   89   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     F   155_A     F   155_A     12   42   96     17   38   51   65   76   83   89   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     V   156_A     V   156_A     12   42   96      8   29   51   65   76   83   89   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     P   157_A     P   157_A     12   42   96      3   29   50   62   76   83   89   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     K   158_A     K   158_A     12   42   96      6   31   51   63   76   83   89   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     G   159_A     G   159_A     13   42   96      3    9   33   55   69   81   88   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     T   160_A     T   160_A     13   42   96      9   31   51   65   76   83   89   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     A   161_A     A   161_A     13   42   96      9   26   49   63   76   83   89   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     V   162_A     V   162_A     13   42   96     10   29   51   65   76   83   89   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     E   163_A     E   163_A     13   42   96     10   38   51   65   76   83   89   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     L   164_A     L   164_A     13   42   96     21   38   51   65   76   83   89   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     Y   165_A     Y   165_A     13   42   96     17   38   51   65   76   83   89   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     S   166_A     S   166_A     13   42   96      8   36   51   65   76   83   89   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     T   167_A     T   167_A     13   42   96      7   10   32   56   71   81   88   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     T   168_A     T   168_A     13   42   96      7   26   51   65   76   83   89   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     L   169_A     L   169_A     13   42   96     11   38   51   65   76   83   89   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     H   170_A     H   170_A     13   42   96     10   38   51   65   76   83   89   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     F   171_A     F   171_A     13   42   96      6   25   47   63   76   83   89   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     A   172_A     A   172_A      8   42   96      5   31   51   65   76   83   89   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     P   173_A     P   173_A      8   42   96      4   16   46   65   76   83   89   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     C   174_A     C   174_A      8   42   96      4   18   46   65   76   83   89   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     K   175_A     K   175_A      8   42   96      5   18   46   65   76   83   89   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     V   176_A     V   176_A      7   42   96      4   19   46   65   76   83   89   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     N   177_A     N   177_A      6   42   96      9   36   51   65   76   83   89   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     N   178_A     N   178_A      3   42   96      3    5   10   29   44   66   84   90   95   98   99  101  104  108  111  114  117  119  123  127 
LCS_GDT     E   179_A     E   179_A      6   42   96      6   25   49   65   76   83   89   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     G   180_A     G   180_A      9   42   96      9   16   27   52   73   80   86   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     F   181_A     F   181_A      9   42   96      8   16   42   64   75   83   89   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     K   182_A     K   182_A      9   42   96      9   16   42   65   76   83   89   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     T   183_A     T   183_A      9   42   96      9   18   48   65   76   83   89   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     I   184_A     I   184_A      9   42   96      9   18   48   65   76   83   89   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     V   185_A     V   185_A      9   42   96      6   18   48   65   76   83   89   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     I   186_A     I   186_A      9   42   96      9   28   51   65   76   83   89   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     L   187_A     L   187_A      9   42   96     10   38   51   65   76   83   89   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     P   188_A     P   188_A      9   42   96      5   38   51   65   76   83   89   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     K   189_A     K   189_A      9   42   96      3   28   50   65   76   83   89   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     G   190_A     G   190_A      3   42   96      3    3   20   59   74   83   89   94   96   98   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     T   191_A     T   191_A      3    7   96      3    3    3    5    5    7   10   14   30   60   98  101  103  105  110  114  117  119  121  127 
LCS_GDT     N   192_A     N   192_A      5    7   96      3    5    5    6    7   18   22   27   32   77   98  101  103  104  107  112  115  118  120  125 
LCS_GDT     D   193_A     D   193_A      5    7   96      3    5   13   25   37   57   82   88   94   98   99  101  103  107  110  114  117  119  122  127 
LCS_GDT     P   194_A     P   194_A      5    7   96      3    5    5    6    6    6    9   10   14   33   72  100  101  103  106  110  115  118  121  125 
LCS_GDT     L   195_A     L   195_A      5    7   96      0    5    5    6    6    9   11   16   28   41   58   83   92  102  104  109  111  116  120  125 
LCS_GDT     S   196_A     S   196_A      5    7   96      2    5    5    6    6    8    9   10   11   13   19   22   23   27   31   42   57   75   92  108 
LCS_GDT     T   197_A     T   197_A      4    7   96      3    3    5    6    6    8   11   13   17   18   20   27   30   31   48   77   86   93  106  113 
LCS_GDT     N   198_A     N   198_A      4    6   96      4    4    4    6    6    8   11   13   17   26   42   63   84   96  104  106  110  114  117  121 
LCS_GDT     I   199_A     I   199_A      4    7   96      4    4    5    6    8   19   36   68   80   90   94   99  104  107  109  114  117  119  123  127 
LCS_GDT     Q   200_A     Q   200_A      4    7   96      4    4    4    5    7   10   12   13   57   95   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     K   201_A     K   201_A      4    7   96      4    4    5   11   19   42   61   73   80   89   94  101  104  108  111  114  117  119  123  127 
LCS_GDT     R   202_A     R   202_A      3    7   96      3    3    4    5    7   12   21   28   45   51   59   70   84   90   95  102  109  113  116  122 
LCS_GDT     T   203_A     T   203_A      3    7   95      3    3    3    5    7   11   14   22   33   42   54   62   74   80   92   98  105  109  113  120 
LCS_GDT     K   204_A     K   204_A      3    7   20      3    3    4    5    7   11   14   19   30   37   45   50   59   72   85   89  100  107  111  116 
LCS_GDT     E   205_A     E   205_A      5    7   20      3    4    5    6    7   10   19   28   37   45   51   61   81   87   91   97  105  108  113  122 
LCS_GDT     D   206_A     D   206_A      5    6   23      3    4    5    6    7   10   27   37   51   56   74   85   98  100  105  111  116  119  123  127 
LCS_GDT     E   207_A     E   207_A      5    6   23      3    4    5    6    6   11   20   27   33   62   74   85   98  103  108  111  116  119  123  127 
LCS_GDT     L   208_A     L   208_A      5    6   23      3    4    5    6    6    9   18   37   44   66   80   90   98  102  111  114  116  119  123  127 
LCS_GDT     L   209_A     L   209_A      5    6   23      3    4    5    6   10   26   36   55   62   82   91   97  102  106  111  114  117  119  123  127 
LCS_GDT     F   210_A     F   210_A      3    6   23      3    3    7    7   18   45   64   73   78   86   97   98  103  106  111  114  117  119  123  127 
LCS_GDT     M   211_A     M   211_A      3    4   23      3    3    5    5    7   15   17   20   23   27   42   65   79   84   89  100  105  108  113  116 
LCS_GDT     K   212_A     K   212_A      3    4   23      3    3    5    5    6    7   13   16   23   25   27   32   44   51   58   63   85   96  103  109 
LCS_GDT     N   213_A     N   213_A      3    4   23      3    3    3    5    7    8   11   11   14   16   23   27   29   39   42   47   68   76   82   88 
LCS_GDT     K   214_A     K   214_A      3    4   23      3    3    4    5    6    8    9   12   17   18   20   23   25   27   28   30   34   40   45   48 
LCS_GDT     W   215_A     W   215_A      3    4   23      3    3    3    4    4    6    7   13   17   18   20   23   25   27   28   30   34   35   40   49 
LCS_GDT     L   216_A     L   216_A      3    4   23      3    3    4    5    6    9   11   13   17   18   20   23   30   30   34   43   51   76   88  106 
LCS_GDT     I   217_A     I   217_A      3    7   23      3    3    4    5    6    9   11   13   17   18   23   27   30   31   39   45   53   60   76  100 
LCS_GDT     A   218_A     A   218_A      6    7   23      5    6    6    6    7    9   10   13   17   18   23   27   30   31   33   35   38   41   44   57 
LCS_GDT     H   219_A     H   219_A      6    7   25      5    6    6    6    7    9   11   13   17   18   23   27   30   31   33   35   38   49   59   70 
LCS_GDT     P   220_A     P   220_A      6    7   25      5    6    6    6    7    9   13   15   17   19   23   27   30   33   42   48   58   84   89  100 
LCS_GDT     E   221_A     E   221_A      6    7   25      5    6    6    6    7    8   10   15   16   30   35   41   58   72   78   86   94  103  109  115 
LCS_GDT     R   222_A     R   222_A      6    7   25      5    6    6    6    7    8   13   15   16   32   38   55   67   89   97  103  108  112  117  118 
LCS_GDT     E   223_A     E   223_A      6    7   25      3    6    6    6    7   17   28   49   61   71   84   89   91   98  105  109  114  115  117  123 
LCS_GDT     Q   224_A     Q   224_A      4    7   25      3    4    4    9   25   35   45   67   81   87   91   98  104  108  110  114  117  119  123  127 
LCS_GDT     L   225_A     L   225_A      4    5   25      3    4    5   17   32   48   66   78   84   91   97  101  105  108  111  114  117  119  123  127 
LCS_GDT     I   226_A     I   226_A      4    4   25      3    4    4   26   35   49   67   77   83   89   94  101  104  108  111  114  117  119  123  127 
LCS_GDT     N   227_A     N   227_A      4    5   25      3    4   14   27   58   70   80   86   91   95   99  101  105  108  111  114  117  119  123  127 
LCS_GDT     K   228_A     K   228_A      4    5   25      3    3    4    5    6    8   18   25   40   58   80   90   95   98  111  114  116  119  123  127 
LCS_GDT     G   229_A     G   229_A      4    5   25      3    3    4    5    6    8   12   13   15   26   32   70   85   89   95  100  111  114  116  122 
LCS_GDT     A   230_A     A   230_A      4    5   25      3    3    4    5    6    8   12   13   15   17   20   23   30   59   84   89   99  111  116  122 
LCS_GDT     H   231_A     H   231_A      3    5   25      3    3    4    5    5    8   12   13   15   19   21   22   24   25   26   27   37   41   60   72 
LCS_GDT     P   232_A     P   232_A      3    6   25      3    3    4    6    6    7    8   11   14   19   21   22   24   25   26   27   37   60   65   78 
LCS_GDT     G   233_A     G   233_A      4    6   25      3    4    4    6    6   10   13   15   16   19   21   22   24   25   28   35   38   41   44   54 
LCS_GDT     I   234_A     I   234_A      4    6   25      3    4    4    6    6   10   13   15   16   19   21   22   24   25   26   32   38   41   44   45 
LCS_GDT     K   235_A     K   235_A      4    8   25      3    4    4    6    8   10   13   15   17   19   23   27   30   31   33   35   38   41   44   47 
LCS_GDT     G   236_A     G   236_A      6    8   25      3    4    6    7    8    9   11   14   17   18   23   27   30   31   33   35   38   41   44   45 
LCS_GDT     E   237_A     E   237_A      6    8   25      3    5    6    7    8   10   11   13   17   18   23   27   30   31   33   35   38   41   44   45 
LCS_GDT     N   238_A     N   238_A      6    8   25      4    5    6    7    8   10   11   15   17   19   23   27   30   31   33   35   38   41   44   45 
LCS_GDT     I   239_A     I   239_A      6    8   25      4    5    6    7    8   10   13   15   17   19   23   27   30   31   33   35   38   41   44   45 
LCS_GDT     K   240_A     K   240_A      6    8   25      4    5    6    7    8   10   13   15   17   19   23   27   30   31   33   35   38   41   44   45 
LCS_GDT     V   241_A     V   241_A      6    8   25      4    5    6    7    8   10   13   15   16   19   23   27   30   31   33   35   38   41   44   45 
LCS_GDT     Y   242_A     Y   242_A      6    8   25      3    5    6    7    8   10   13   15   17   19   23   27   30   31   33   35   38   41   44   45 
LCS_GDT     Q   243_A     Q   243_A      6    8   25      3    5    6    7    8   10   12   12   16   18   18   20   30   30   32   34   38   40   41   44 
LCS_AVERAGE  LCS_A:  12.34  (   3.72    8.24   25.07 )

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     21     38     51     65     76     83     89     94     96     98     99    101    105    108    111    114    117    119    123    127 
GDT PERCENT_AT   9.46  17.12  22.97  29.28  34.23  37.39  40.09  42.34  43.24  44.14  44.59  45.50  47.30  48.65  50.00  51.35  52.70  53.60  55.41  57.21
GDT RMS_LOCAL    0.35   0.62   0.88   1.25   1.44   1.68   1.86   2.03   2.11   2.22   2.29   2.47   2.84   3.18   3.35   3.49   3.78   3.95   4.54   4.79
GDT RMS_ALL_AT  16.89  16.93  16.97  16.78  16.90  17.02  17.05  17.03  17.03  17.03  17.06  17.12  16.99  16.75  16.86  16.88  16.86  16.85  16.81  16.78

# Checking swapping
#   possible swapping detected:  F    24_A      F    24_A
#   possible swapping detected:  D    29_A      D    29_A
#   possible swapping detected:  F    36_A      F    36_A
#   possible swapping detected:  E    40_A      E    40_A
#   possible swapping detected:  D    41_A      D    41_A
#   possible swapping detected:  Y    47_A      Y    47_A
#   possible swapping detected:  D    55_A      D    55_A
#   possible swapping detected:  F    56_A      F    56_A
#   possible swapping detected:  E    58_A      E    58_A
#   possible swapping detected:  E    60_A      E    60_A
#   possible swapping detected:  Y    62_A      Y    62_A
#   possible swapping detected:  E    93_A      E    93_A
#   possible swapping detected:  Y    96_A      Y    96_A
#   possible swapping detected:  E    98_A      E    98_A
#   possible swapping detected:  Y   105_A      Y   105_A
#   possible swapping detected:  E   117_A      E   117_A
#   possible swapping detected:  Y   118_A      Y   118_A
#   possible swapping detected:  D   130_A      D   130_A
#   possible swapping detected:  F   146_A      F   146_A
#   possible swapping detected:  F   155_A      F   155_A
#   possible swapping detected:  F   181_A      F   181_A
#   possible swapping detected:  D   193_A      D   193_A
#   possible swapping detected:  E   205_A      E   205_A
#   possible swapping detected:  E   207_A      E   207_A
#   possible swapping detected:  E   221_A      E   221_A
#   possible swapping detected:  Y   242_A      Y   242_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G    22_A      G    22_A    43.651     0    0.134   0.134    43.905    0.000    0.000
LGA    S    23_A      S    23_A    39.212     0    0.640   0.952    41.149    0.000    0.000
LGA    F    24_A      F    24_A    36.360     0    0.607   1.263    37.580    0.000    0.000
LGA    Q    25_A      Q    25_A    29.891     0    0.635   0.744    32.523    0.000    0.000
LGA    Y    26_A      Y    26_A    26.061     0    0.603   0.580    27.628    0.000    0.000
LGA    M    27_A      M    27_A    22.496     0    0.634   1.327    24.417    0.000    0.000
LGA    K    28_A      K    28_A    19.229     0    0.614   0.877    26.546    0.000    0.000
LGA    D    29_A      D    29_A    13.106     0    0.637   1.404    15.451    0.000    0.000
LGA    L    30_A      L    30_A    11.838     0    0.544   1.375    15.761    0.833    0.417
LGA    N    31_A      N    31_A     8.214     0    0.454   1.488     9.747    4.286    3.631
LGA    K    32_A      K    32_A     7.814     0    0.651   1.885    13.795   10.357    4.656
LGA    H    33_A      H    33_A     3.535     0    0.705   1.184     4.790   52.143   46.571
LGA    I    34_A      I    34_A     2.068     0    0.091   0.225     2.985   59.048   67.143
LGA    P    35_A      P    35_A     3.057     0    0.085   0.172     3.344   55.357   55.170
LGA    F    36_A      F    36_A     2.478     0    0.043   0.491     4.751   66.905   52.294
LGA    Y    37_A      Y    37_A     0.996     0    0.096   0.124     3.243   88.214   72.817
LGA    H    38_A      H    38_A     1.248     0    0.036   1.179     7.196   81.429   56.476
LGA    I    39_A      I    39_A     1.431     0    0.661   0.803     3.009   73.571   76.429
LGA    E    40_A      E    40_A     1.982     0    0.695   1.025     8.742   63.452   37.619
LGA    D    41_A      D    41_A     5.294     0    0.594   1.120    10.789   39.048   20.476
LGA    S    42_A      S    42_A     1.796     0    0.135   0.603     3.003   73.690   75.000
LGA    K    43_A      K    43_A     1.061     0    0.046   1.105     5.596   88.333   60.265
LGA    F    44_A      F    44_A     0.560     0    0.025   0.278     2.112   90.476   84.978
LGA    K    45_A      K    45_A     1.248     2    0.089   0.658     3.116   79.286   56.984
LGA    H    46_A      H    46_A     1.279     0    0.095   1.454     7.177   81.429   53.619
LGA    Y    47_A      Y    47_A     0.938     0    0.119   0.232     1.144   88.214   88.214
LGA    G    48_A      G    48_A     0.983     0    0.034   0.034     0.991   90.476   90.476
LGA    K    49_A      K    49_A     1.126     4    0.069   0.086     1.578   79.286   44.286
LGA    V    50_A      V    50_A     1.336     0    0.049   0.107     1.971   81.429   77.755
LGA    I    51_A      I    51_A     2.116     0    0.052   0.559     2.861   62.976   62.976
LGA    N    52_A      N    52_A     3.452     0    0.692   1.273     4.496   46.667   50.714
LGA    E    53_A      E    53_A     5.723     0    0.254   1.176    10.189   14.881    8.571
LGA    Y    54_A      Y    54_A    11.583     0    0.082   1.219    19.790    0.357    0.119
LGA    D    55_A      D    55_A    14.754     0    0.139   1.027    19.697    0.000    0.000
LGA    F    56_A      F    56_A    15.907     0    0.645   0.958    19.847    0.000    0.000
LGA    N    57_A      N    57_A    21.988     0    0.657   1.144    26.944    0.000    0.000
LGA    E    58_A      E    58_A    25.218     0    0.635   1.475    29.082    0.000    0.000
LGA    L    59_A      L    59_A    28.346     0    0.120   0.113    31.648    0.000    0.000
LGA    E    60_A      E    60_A    30.361     0    0.524   1.145    33.174    0.000    0.000
LGA    T    61_A      T    61_A    31.374     0    0.575   0.648    32.085    0.000    0.000
LGA    Y    62_A      Y    62_A    31.105     0    0.604   1.000    31.508    0.000    0.000
LGA    M    63_A      M    63_A    27.860     0    0.653   1.034    28.335    0.000    0.000
LGA    D    64_A      D    64_A    24.989     0    0.612   0.601    27.910    0.000    0.000
LGA    S    65_A      S    65_A    26.490     0    0.737   0.845    27.957    0.000    0.000
LGA    L    66_A      L    66_A    26.917     0    0.061   1.214    26.917    0.000    0.000
LGA    T    67_A      T    67_A    26.520     0    0.078   1.166    28.421    0.000    0.000
LGA    I    68_A      I    68_A    25.875     0    0.157   1.170    26.743    0.000    0.000
LGA    P    69_A      P    69_A    28.393     0    0.629   0.523    29.255    0.000    0.000
LGA    Q    70_A      Q    70_A    27.546     0    0.694   1.474    29.803    0.000    0.000
LGA    D    71_A      D    71_A    28.699     3    0.054   0.054    29.782    0.000    0.000
LGA    Q    72_A      Q    72_A    26.751     3    0.179   0.691    26.985    0.000    0.000
LGA    N    73_A      N    73_A    26.688     0    0.061   1.137    27.786    0.000    0.000
LGA    V    74_A      V    74_A    25.827     0    0.070   1.152    26.784    0.000    0.000
LGA    Y    75_A      Y    75_A    25.617     0    0.049   1.341    25.831    0.000    0.000
LGA    V    76_A      V    76_A    25.627     0    0.620   0.608    27.518    0.000    0.000
LGA    A    77_A      A    77_A    25.788     0    0.587   0.536    27.703    0.000    0.000
LGA    S    78_A      S    78_A    23.842     0    0.379   0.661    25.855    0.000    0.000
LGA    V    79_A      V    79_A    22.662     0    0.586   0.620    22.662    0.000    0.000
LGA    T    80_A      T    80_A    22.315     0    0.611   1.406    23.562    0.000    0.000
LGA    E    81_A      E    81_A    22.785     0    0.644   1.212    29.831    0.000    0.000
LGA    M    82_A      M    82_A    16.945     0    0.073   0.592    18.986    0.000    0.000
LGA    E    83_A      E    83_A    17.829     0    0.579   0.574    19.205    0.000    0.000
LGA    N    84_A      N    84_A    20.511     0    0.380   1.158    24.477    0.000    0.000
LGA    T    85_A      T    85_A    24.012     0    0.592   1.078    24.275    0.000    0.000
LGA    I    86_A      I    86_A    23.797     0    0.620   0.972    30.044    0.000    0.000
LGA    I    87_A      I    87_A    20.386     0    0.040   0.558    23.303    0.000    0.000
LGA    K    88_A      K    88_A    17.121     0    0.047   1.692    18.891    0.000    0.000
LGA    N    89_A      N    89_A    14.716     0    0.613   1.255    19.334    0.000    0.000
LGA    Q    90_A      Q    90_A    12.992     0    0.600   0.927    20.153    0.000    0.000
LGA    L    91_A      L    91_A     7.843     0    0.648   1.336     9.880    8.810    7.381
LGA    Q    92_A      Q    92_A     6.728     0    0.589   1.145     9.496    7.738    5.820
LGA    E    93_A      E    93_A    12.037     0    0.661   1.090    15.490    0.119    0.053
LGA    A    94_A      A    94_A    16.774     0    0.530   0.559    17.907    0.000    0.000
LGA    F    95_A      F    95_A    17.211     0    0.642   1.185    19.777    0.000    0.000
LGA    Y    96_A      Y    96_A    19.541     0    0.635   0.526    22.605    0.000    0.000
LGA    G    97_A      G    97_A    26.779     0    0.505   0.505    28.439    0.000    0.000
LGA    E    98_A      E    98_A    28.307     0    0.649   1.210    33.313    0.000    0.000
LGA    M    99_A      M    99_A    29.842     0    0.138   0.600    35.971    0.000    0.000
LGA    S   100_A      S   100_A    30.375     0    0.187   0.675    34.494    0.000    0.000
LGA    I   101_A      I   101_A    27.195     0    0.088   1.314    29.739    0.000    0.000
LGA    Q   102_A      Q   102_A    24.621     0    0.067   0.911    25.380    0.000    0.000
LGA    I   103_A      I   103_A    26.118     0    0.089   0.642    30.047    0.000    0.000
LGA    G   104_A      G   104_A    24.287     0    0.077   0.077    24.805    0.000    0.000
LGA    Y   105_A      Y   105_A    21.615     0    0.214   1.215    23.577    0.000    0.000
LGA    C   106_A      C   106_A    19.252     0    0.612   0.882    21.131    0.000    0.000
LGA    N   107_A      N   107_A    17.210     0    0.019   0.936    21.414    0.000    0.000
LGA    G   108_A      G   108_A    12.531     0    0.102   0.102    14.092    0.000    0.000
LGA    P   109_A      P   109_A     7.848     0    0.607   0.601     9.571    5.119    4.694
LGA    N   110_A      N   110_A     8.681     0    0.131   0.888    11.873    8.095    4.048
LGA    S   111_A      S   111_A     4.594     0    0.562   0.875     7.681   29.286   25.079
LGA    T   112_A      T   112_A     3.621     0    0.227   0.973     4.147   45.000   45.374
LGA    L   113_A      L   113_A     2.669     0    0.569   0.614     5.971   42.976   61.190
LGA    N   114_A      N   114_A     3.115     0    0.072   0.190     4.238   52.024   45.357
LGA    G   115_A      G   115_A     2.555     0    0.029   0.029     2.555   66.905   66.905
LGA    L   116_A      L   116_A     1.152     0    0.144   0.267     1.524   81.429   81.548
LGA    E   117_A      E   117_A     1.543     0    0.047   0.886     3.421   75.000   68.571
LGA    Y   118_A      Y   118_A     1.533     0    0.034   0.287     3.844   72.857   62.619
LGA    H   119_A      H   119_A     1.779     0    0.049   0.315     2.468   72.857   70.429
LGA    K   120_A      K   120_A     2.035     0    0.415   0.766     2.605   64.881   64.868
LGA    S   121_A      S   121_A     2.109     0    0.013   0.094     2.372   64.762   68.889
LGA    S   122_A      S   122_A     1.901     0    0.100   0.705     2.671   72.857   70.238
LGA    E   123_A      E   123_A     1.098     0    0.050   0.784     3.185   81.429   75.132
LGA    I   124_A      I   124_A     1.002     0    0.049   1.260     2.877   88.214   77.619
LGA    N   125_A      N   125_A     0.668     0    0.039   0.236     1.002   92.857   91.726
LGA    I   126_A      I   126_A     0.376     0    0.078   0.642     2.878   95.238   89.881
LGA    A   127_A      A   127_A     0.980     0    0.106   0.153     1.159   88.214   86.857
LGA    I   128_A      I   128_A     0.881     0    0.094   0.934     3.495   88.214   76.786
LGA    T   129_A      T   129_A     1.025     0    0.012   1.068     3.583   88.214   76.395
LGA    D   130_A      D   130_A     1.016     0    0.039   0.941     3.182   83.690   75.476
LGA    M   131_A      M   131_A     0.999     0    0.037   0.572     1.593   88.214   87.143
LGA    V   132_A      V   132_A     0.665     0    0.071   1.215     3.199   88.214   78.639
LGA    L   133_A      L   133_A     0.667     0    0.076   0.151     0.838   90.476   90.476
LGA    L   134_A      L   134_A     0.631     0    0.075   1.414     3.660   90.476   76.310
LGA    L   135_A      L   135_A     0.177     0    0.078   0.949     2.223  100.000   89.821
LGA    G   136_A      G   136_A     0.216     0    0.133   0.133     0.640   97.619   97.619
LGA    K   137_A      K   137_A     1.264     0    0.621   1.130     7.668   77.619   58.466
LGA    V   138_A      V   138_A     2.453     0    0.604   0.586     6.971   65.238   47.415
LGA    Q   139_A      Q   139_A     3.136     0    0.709   1.306     4.907   48.571   50.423
LGA    E   140_A      E   140_A     8.187     0    0.205   1.438    15.428    8.452    3.757
LGA    V   141_A      V   141_A     7.009     0    0.036   1.126     8.620   23.214   15.782
LGA    E   142_A      E   142_A     4.636     4    0.173   0.227     5.940   30.595   17.090
LGA    N   143_A      N   143_A     1.304     0    0.406   1.072     3.988   75.119   68.393
LGA    N   144_A      N   144_A     3.383     0    0.684   0.645    10.126   49.048   28.810
LGA    V   145_A      V   145_A     4.028     0    0.286   1.020     7.797   50.357   37.279
LGA    F   146_A      F   146_A     3.481     0    0.047   1.262     5.038   48.333   54.935
LGA    H   147_A      H   147_A     3.779     0    0.086   0.140     6.939   50.357   33.000
LGA    S   148_A      S   148_A     3.036     0    0.662   0.620     4.697   45.357   44.683
LGA    N   149_A      N   149_A     1.605     0    0.083   1.054     4.918   72.857   61.131
LGA    D   150_A      D   150_A     1.604     0    0.097   0.361     2.488   77.143   76.190
LGA    V   151_A      V   151_A     0.726     0    0.034   0.904     2.280   92.976   85.714
LGA    I   152_A      I   152_A     0.271     0    0.048   1.480     4.830  100.000   82.679
LGA    A   153_A      A   153_A     0.186     0    0.044   0.051     0.466  100.000  100.000
LGA    F   154_A      F   154_A     0.638     0    0.129   0.155     1.078   90.595   90.519
LGA    F   155_A      F   155_A     0.628     0    0.042   0.087     1.174   88.214   91.385
LGA    V   156_A      V   156_A     1.491     0    0.191   1.121     4.078   73.214   65.714
LGA    P   157_A      P   157_A     2.457     0    0.648   0.610     4.201   57.976   63.197
LGA    K   158_A      K   158_A     2.091     1    0.608   0.770     4.147   70.952   54.762
LGA    G   159_A      G   159_A     3.767     0    0.092   0.092     3.767   50.238   50.238
LGA    T   160_A      T   160_A     1.863     0    0.049   0.136     2.773   68.810   67.143
LGA    A   161_A      A   161_A     2.000     0    0.150   0.192     2.214   70.833   69.619
LGA    V   162_A      V   162_A     1.698     0    0.051   0.068     1.909   75.000   74.082
LGA    E   163_A      E   163_A     1.471     0    0.065   0.513     3.251   79.286   71.376
LGA    L   164_A      L   164_A     1.004     0    0.072   0.203     1.770   88.333   83.810
LGA    Y   165_A      Y   165_A     0.552     0    0.063   1.122     7.586   90.476   59.008
LGA    S   166_A      S   166_A     0.823     0    0.671   0.590     1.580   86.071   87.540
LGA    T   167_A      T   167_A     3.721     0    0.051   0.179     5.689   50.119   40.680
LGA    T   168_A      T   168_A     1.607     0    0.154   0.875     2.212   77.143   74.218
LGA    L   169_A      L   169_A     0.648     0    0.038   0.796     2.268   90.476   83.929
LGA    H   170_A      H   170_A     0.795     0    0.036   1.071     2.296   85.952   80.000
LGA    F   171_A      F   171_A     2.257     0    0.155   0.522     5.803   75.119   49.221
LGA    A   172_A      A   172_A     1.024     0    0.076   0.076     1.206   85.952   85.048
LGA    P   173_A      P   173_A     2.117     0    0.117   0.450     2.991   68.810   64.898
LGA    C   174_A      C   174_A     2.188     0    0.045   0.070     2.375   64.762   64.762
LGA    K   175_A      K   175_A     2.441     0    0.072   0.730     4.296   62.857   53.757
LGA    V   176_A      V   176_A     2.388     0    0.497   0.783     4.529   57.857   54.966
LGA    N   177_A      N   177_A     0.216     0    0.611   1.013     2.898   80.119   77.798
LGA    N   178_A      N   178_A     5.548     0    0.669   1.378    11.522   33.333   17.381
LGA    E   179_A      E   179_A     1.465     4    0.184   0.191     2.726   73.214   40.635
LGA    G   180_A      G   180_A     4.456     0    0.102   0.102     4.456   43.452   43.452
LGA    F   181_A      F   181_A     3.087     0    0.087   1.170     6.617   50.119   40.390
LGA    K   182_A      K   182_A     2.763     0    0.034   0.869     6.629   60.952   44.444
LGA    T   183_A      T   183_A     2.099     0    0.041   1.018     3.234   62.857   61.565
LGA    I   184_A      I   184_A     2.170     0    0.049   1.461     4.089   64.762   58.512
LGA    V   185_A      V   185_A     2.213     0    0.122   1.019     3.603   62.857   58.503
LGA    I   186_A      I   186_A     1.320     0    0.045   1.206     4.747   83.810   69.464
LGA    L   187_A      L   187_A     0.644     0    0.040   1.362     5.066   95.238   76.310
LGA    P   188_A      P   188_A     0.955     0    0.072   0.119     1.081   85.952   87.891
LGA    K   189_A      K   189_A     1.794     2    0.116   0.896     3.089   77.143   55.132
LGA    G   190_A      G   190_A     3.742     0    0.679   0.679     4.181   46.905   46.905
LGA    T   191_A      T   191_A     7.254     0    0.119   1.005    10.677    9.762    5.646
LGA    N   192_A      N   192_A     8.278     0    0.723   0.613    13.768    9.643    4.821
LGA    D   193_A      D   193_A     6.069     0    0.045   1.249    11.370   17.143    9.821
LGA    P   194_A      P   194_A     8.310     0    0.646   0.595    10.679    4.881    5.442
LGA    L   195_A      L   195_A     9.510     0    0.068   0.311    12.347    1.310    3.214
LGA    S   196_A      S   196_A    15.090     0    0.516   0.864    17.767    0.000    0.000
LGA    T   197_A      T   197_A    15.043     0    0.635   0.998    16.410    0.000    0.000
LGA    N   198_A      N   198_A    10.950     0    0.277   0.843    15.925    0.119    0.060
LGA    I   199_A      I   199_A     7.715     0    0.083   1.089     8.685    8.810    6.607
LGA    Q   200_A      Q   200_A     7.157     4    0.024   0.068     8.568    7.738    4.550
LGA    K   201_A      K   201_A    10.424     0    0.217   0.677    13.853    0.714    5.026
LGA    R   202_A      R   202_A    17.387     0    0.648   1.244    26.896    0.000    0.000
LGA    T   203_A      T   203_A    17.945     0    0.123   0.176    18.465    0.000    0.000
LGA    K   204_A      K   204_A    18.783     0    0.567   0.888    23.877    0.000    0.000
LGA    E   205_A      E   205_A    16.396     0    0.066   1.078    21.406    0.000    0.000
LGA    D   206_A      D   206_A    13.469     0    0.134   1.041    15.003    0.000    0.000
LGA    E   207_A      E   207_A    12.396     0    0.157   1.212    16.018    0.000    0.000
LGA    L   208_A      L   208_A    12.806     0    0.125   1.009    16.567    0.000    0.000
LGA    L   209_A      L   209_A    11.352     0    0.614   0.559    12.882    0.119    0.060
LGA    F   210_A      F   210_A     9.808     0    0.070   1.253    12.777    0.119    0.346
LGA    M   211_A      M   211_A    16.576     0    0.595   1.363    20.074    0.000    0.000
LGA    K   212_A      K   212_A    20.493     0    0.364   1.057    28.186    0.000    0.000
LGA    N   213_A      N   213_A    20.860     0    0.555   0.855    23.200    0.000    0.000
LGA    K   214_A      K   214_A    20.251     0    0.461   0.938    23.930    0.000    0.000
LGA    W   215_A      W   215_A    20.522     0    0.638   1.071    26.004    0.000    0.000
LGA    L   216_A      L   216_A    16.854     0    0.600   1.311    17.485    0.000    0.000
LGA    I   217_A      I   217_A    17.787     0    0.599   0.922    21.416    0.000    0.000
LGA    A   218_A      A   218_A    19.713     0    0.617   0.593    21.977    0.000    0.000
LGA    H   219_A      H   219_A    20.605     0    0.037   0.194    22.628    0.000    0.000
LGA    P   220_A      P   220_A    21.222     0    0.055   0.060    24.251    0.000    0.000
LGA    E   221_A      E   221_A    17.597     0    0.102   1.018    22.369    0.000    0.000
LGA    R   222_A      R   222_A    13.632     0    0.520   0.996    19.459    0.000    0.000
LGA    E   223_A      E   223_A    13.049     0    0.106   1.277    19.266    0.000    0.000
LGA    Q   224_A      Q   224_A     8.720     4    0.610   0.556    10.402    5.000    2.381
LGA    L   225_A      L   225_A     7.679     0    0.017   0.114     9.166    6.548    5.000
LGA    I   226_A      I   226_A     9.852     0    0.623   0.523    12.697    0.952    0.476
LGA    N   227_A      N   227_A     7.838     0    0.669   1.042    10.662    3.690   16.250
LGA    K   228_A      K   228_A    14.007     0    0.708   1.388    15.517    0.000    0.000
LGA    G   229_A      G   229_A    17.040     0    0.631   0.631    18.477    0.000    0.000
LGA    A   230_A      A   230_A    16.072     0    0.547   0.565    17.245    0.000    0.000
LGA    H   231_A      H   231_A    20.633     0    0.610   0.882    23.995    0.000    0.000
LGA    P   232_A      P   232_A    21.495     0    0.150   0.423    23.130    0.000    0.000
LGA    G   233_A      G   233_A    27.071     0    0.724   0.724    29.769    0.000    0.000
LGA    I   234_A      I   234_A    30.379     0    0.116   0.145    33.224    0.000    0.000
LGA    K   235_A      K   235_A    31.894     0    0.158   1.535    35.560    0.000    0.000
LGA    G   236_A      G   236_A    34.268     0    0.125   0.125    34.268    0.000    0.000
LGA    E   237_A      E   237_A    33.389     4    0.083   0.103    34.846    0.000    0.000
LGA    N   238_A      N   238_A    32.328     0    0.251   0.873    34.444    0.000    0.000
LGA    I   239_A      I   239_A    38.650     0    0.074   1.394    44.028    0.000    0.000
LGA    K   240_A      K   240_A    41.246     0    0.073   0.367    45.274    0.000    0.000
LGA    V   241_A      V   241_A    45.624     0    0.114   0.131    47.476    0.000    0.000
LGA    Y   242_A      Y   242_A    50.187     0    0.093   1.105    55.541    0.000    0.000
LGA    Q   243_A      Q   243_A    52.591     0    0.527   1.264    54.680    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      222     888    888  100.00    1756   1756  100.00               222
SUMMARY(RMSD_GDC):    15.418         15.387                 15.890           32.547   29.118

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  243  222    4.0     94    2.03    35.023    29.757     4.416

LGA_LOCAL      RMSD:   2.029  Number of atoms:   94  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  17.028  Number of assigned atoms:  222 
Std_ASGN_ATOMS RMSD:  15.418  Standard rmsd on all 222 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.937688 * X  +  -0.346073 * Y  +   0.031203 * Z  +  41.937069
  Y_new =   0.327584 * X  +   0.850485 * Y  +  -0.411538 * Z  +  -3.905852
  Z_new =   0.115884 * X  +   0.396116 * Y  +   0.910858 * Z  +  39.493664 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.336098 -0.116145  0.410211   [DEG:   19.2570   -6.6546   23.5034 ]
ZXZ:  0.075676  0.425437  0.284609   [DEG:    4.3359   24.3758   16.3069 ]
 
# END of job
