
#######################################################
#                                                     #
#                        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:   102      92_A - 193_A       4.97    24.95
  LONGEST_CONTINUOUS_SEGMENT:   102      93_A - 194_A       4.98    24.98
  LONGEST_CONTINUOUS_SEGMENT:   102      94_A - 195_A       4.95    25.01
  LONGEST_CONTINUOUS_SEGMENT:   102      95_A - 196_A       4.86    25.04
  LONGEST_CONTINUOUS_SEGMENT:   102      96_A - 197_A       4.81    25.01
  LONGEST_CONTINUOUS_SEGMENT:   102      97_A - 198_A       4.88    24.95
  LCS_AVERAGE:     27.77

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    39     151_A - 189_A       1.99    25.22
  LONGEST_CONTINUOUS_SEGMENT:    39     152_A - 190_A       1.99    25.24
  LCS_AVERAGE:      9.42

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    23     115_A - 137_A       0.95    24.71
  LONGEST_CONTINUOUS_SEGMENT:    23     116_A - 138_A       0.95    24.67
  LCS_AVERAGE:      4.16

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   19      0    3    3    3    5    5    7    8   12   19   19   20   24   25   30   33   41   44   67   76 
LCS_GDT     S    23_A     S    23_A      3    3   19      3    3    5    9   11   12   14   15   18   20   23   25   26   35   37   46   56   61   67   76 
LCS_GDT     F    24_A     F    24_A      3    6   19      3    3    5    9   11   12   14   15   24   31   47   60   72   98  110  115  118  122  125  129 
LCS_GDT     Q    25_A     Q    25_A      5    7   19      3    4    5    8   11   12   14   14   18   19   34   38   44   53   59   83  112  119  120  124 
LCS_GDT     Y    26_A     Y    26_A      5    7   19      3    4    5    6    8    9   14   14   18   19   23   26   29   35   38   61   68   86  116  124 
LCS_GDT     M    27_A     M    27_A      5    7   30      3    4    5    6    8   12   14   14   18   19   26   27   36   53   59   76  111  115  120  124 
LCS_GDT     K    28_A     K    28_A      5    7   30      3    4    5    7    8   12   14   16   20   31   37   42   48   74   80  108  112  120  123  125 
LCS_GDT     D    29_A     D    29_A      5    7   30      3    3    5    7    8   12   14   16   24   31   37   54   62   74   80  108  118  120  123  126 
LCS_GDT     L    30_A     L    30_A      4    7   30      3    3    4    7    8   12   14   26   28   32   41   84   91   97  114  119  121  123  125  129 
LCS_GDT     N    31_A     N    31_A      4    7   30      3    3    4    7   10   13   20   26   61   82   97  111  113  115  117  119  122  123  125  129 
LCS_GDT     K    32_A     K    32_A      4    7   30      3    4    4    5    8   10   32   53   80   97  107  111  113  115  117  119  122  123  125  129 
LCS_GDT     H    33_A     H    33_A      4   19   30      3   11   33   49   66   80   87   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     I    34_A     I    34_A      7   19   30      5   25   44   61   72   80   87   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     P    35_A     P    35_A      7   19   30      3   10   32   57   72   79   86   94  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     F    36_A     F    36_A      7   19   30      3   14   43   61   72   80   87   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     Y    37_A     Y    37_A      7   19   30      7   17   43   61   72   80   87   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     H    38_A     H    38_A      7   19   30      7   17   46   61   72   80   87   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     I    39_A     I    39_A      7   19   30      7   17   46   61   72   80   87   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     E    40_A     E    40_A      7   19   30     12   27   46   61   72   80   87   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     D    41_A     D    41_A      5   19   30      3   13   20   32   57   75   85   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     S    42_A     S    42_A     11   19   30     14   33   46   60   72   80   87   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     K    43_A     K    43_A     11   19   30      4   27   46   61   72   80   87   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     F    44_A     F    44_A     11   19   30     17   33   46   61   72   80   87   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     K    45_A     K    45_A     11   19   30     17   33   46   61   72   80   87   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     H    46_A     H    46_A     11   19   30     17   33   46   61   72   80   87   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     Y    47_A     Y    47_A     11   19   30     17   33   46   61   72   80   87   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     G    48_A     G    48_A     11   19   30     17   33   46   61   72   80   87   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     K    49_A     K    49_A     11   19   30     13   33   46   61   72   80   87   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     V    50_A     V    50_A     11   19   30     12   30   46   61   72   80   87   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     I    51_A     I    51_A     11   19   30      9   26   43   58   72   80   87   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     N    52_A     N    52_A     11   19   30      7   23   37   54   70   80   87   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     E    53_A     E    53_A     11   19   30      3   13   23   47   63   76   84   95  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     Y    54_A     Y    54_A     11   19   30      3   18   30   54   66   80   87   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     D    55_A     D    55_A      5   15   30      3   12   40   61   72   80   87   94  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     F    56_A     F    56_A     11   16   30      6   10   11   21   28   52   68   84   92   98  101  105  111  115  116  119  122  123  125  129 
LCS_GDT     N    57_A     N    57_A     11   16   30      6   10   11   13   14   26   31   38   65   76   93   96  101  105  110  115  118  121  125  129 
LCS_GDT     E    58_A     E    58_A     11   16   30      6   10   11   13   14   24   28   39   47   56   66   84   99  105  107  111  116  121  125  129 
LCS_GDT     L    59_A     L    59_A     11   16   30      6   10   11   13   14   17   18   23   29   33   48   55   71   86   99  104  106  112  120  129 
LCS_GDT     E    60_A     E    60_A     11   16   29      6   10   11   13   14   17   18   20   22   27   32   38   47   53   64   80   91   99  114  122 
LCS_GDT     T    61_A     T    61_A     11   16   30      6   10   11   13   14   17   18   20   21   25   30   36   40   43   49   59   71   97  107  114 
LCS_GDT     Y    62_A     Y    62_A     11   16   30      6   10   11   13   14   17   18   20   21   24   30   34   39   43   48   55   59   69   83   89 
LCS_GDT     M    63_A     M    63_A     11   16   30      6   10   11   13   14   17   18   20   21   23   26   32   37   40   45   50   56   61   67   75 
LCS_GDT     D    64_A     D    64_A     11   16   30      6   10   11   13   14   17   18   20   21   23   25   26   31   35   40   47   51   57   62   67 
LCS_GDT     S    65_A     S    65_A     11   16   30      6   10   11   13   14   17   18   20   21   23   25   26   31   35   40   44   50   54   57   62 
LCS_GDT     L    66_A     L    66_A     11   16   30      4    8   10   13   14   17   18   20   21   23   25   26   30   34   38   44   50   53   56   62 
LCS_GDT     T    67_A     T    67_A     10   16   30      4    8   10   13   14   17   18   20   21   23   25   26   28   32   35   39   45   50   55   62 
LCS_GDT     I    68_A     I    68_A     10   16   30      3    7   10   13   14   17   18   20   21   23   25   26   28   31   37   41   45   50   55   62 
LCS_GDT     P    69_A     P    69_A      7   16   30      3    5    9   11   14   17   18   20   21   23   25   26   28   31   35   39   44   49   55   61 
LCS_GDT     Q    70_A     Q    70_A      5   16   30      3    3    6    9   14   16   18   20   21   22   25   26   27   30   35   39   44   49   53   57 
LCS_GDT     D    71_A     D    71_A      4   16   30      3    3    6   10   14   17   18   20   21   23   25   26   28   30   33   35   37   45   50   55 
LCS_GDT     Q    72_A     Q    72_A      4   14   30      3    3    4    6    6   11   14   17   21   23   25   26   28   30   31   33   35   38   39   45 
LCS_GDT     N    73_A     N    73_A      5   14   30      3    5    9   12   14   17   18   20   21   23   25   26   28   30   33   35   37   38   42   48 
LCS_GDT     V    74_A     V    74_A      5    8   30      3    5    9   11   14   17   18   20   21   23   25   26   28   30   33   35   40   45   51   57 
LCS_GDT     Y    75_A     Y    75_A      5   12   30      3    4    9    9   11   12   13   15   18   23   25   26   27   29   33   35   37   38   47   55 
LCS_GDT     V    76_A     V    76_A      5   12   30      3    4    8   10   11   12   14   15   16   20   24   26   28   30   35   38   44   49   55   61 
LCS_GDT     A    77_A     A    77_A      7   12   30      3    5    7   10   11   12   13   14   14   16   19   22   26   29   31   34   41   52   60   69 
LCS_GDT     S    78_A     S    78_A      7   12   30      3    4    6    9   11   12   13   14   16   18   24   26   36   41   43   45   53   62   70   88 
LCS_GDT     V    79_A     V    79_A      7   12   30      5    6    9   10   11   12   14   15   19   19   24   26   30   31   34   39   44   50   80   88 
LCS_GDT     T    80_A     T    80_A      7   12   30      5    6    9   10   11   12   14   17   19   21   24   26   30   30   33   34   37   38   43   48 
LCS_GDT     E    81_A     E    81_A      7   12   30      5    6   10   12   12   13   14   16   19   21   24   26   30   30   33   35   38   43   51   99 
LCS_GDT     M    82_A     M    82_A      7   12   30      5    6    9   10   11   12   14   15   19   23   25   34   53   63   72   95   99  104  108  116 
LCS_GDT     E    83_A     E    83_A      7   12   30      5    6    9   10   11   12   14   17   19   21   24   28   39   45   72   78   84  103  107  114 
LCS_GDT     N    84_A     N    84_A      7   13   30      5    6    9   10   11   12   14   17   19   21   24   26   30   30   48   58   66   72   83   99 
LCS_GDT     T    85_A     T    85_A     10   13   30      7    9   10   12   12   13   14   15   17   21   24   45   52   59   66  100  107  112  118  123 
LCS_GDT     I    86_A     I    86_A     10   13   30      8    9   10   12   12   13   14   17   19   21   25   29   35   41   66   83   88  105  118  122 
LCS_GDT     I    87_A     I    87_A     10   13   30      8    9   10   12   12   13   14   17   19   21   25   31   35   69   72   83   88  105  116  122 
LCS_GDT     K    88_A     K    88_A     10   13   30      8    9   10   12   13   17   19   29   39   51   68   80   87  101  102  108  114  121  125  129 
LCS_GDT     N    89_A     N    89_A     10   13   30      8    9   10   12   13   26   36   44   52   70   78   91   96  104  109  114  118  121  125  129 
LCS_GDT     Q    90_A     Q    90_A     10   13   30      8    9   10   12   12   15   19   25   31   36   49   55   66   74  100  102  111  119  123  126 
LCS_GDT     L    91_A     L    91_A     10   13  100      8    9   10   12   12   13   14   17   21   24   30   47   66   75   90   99  111  119  123  126 
LCS_GDT     Q    92_A     Q    92_A     10   13  102      8    9   10   12   12   13   14   30   38   61   73   91  100  106  110  115  118  122  125  129 
LCS_GDT     E    93_A     E    93_A     10   13  102      8    9   10   12   12   13   15   30   38   45   71   82  100  105  110  113  118  121  125  129 
LCS_GDT     A    94_A     A    94_A     10   13  102      4    9   10   12   12   13   14   18   21   25   30   43   48   55   73   76   89  119  120  125 
LCS_GDT     F    95_A     F    95_A      5   13  102      3    5   10   12   12   13   14   17   19   21   24   26   30   35   46   63   76   81   92  117 
LCS_GDT     Y    96_A     Y    96_A      5   13  102      3    5   10   12   12   13   14   17   19   21   23   24   27   30   33  100  112  115  118  123 
LCS_GDT     G    97_A     G    97_A      4    6  102      3    3    4    4    7    9   14   36   46   70   88  100  105  110  112  115  118  122  124  126 
LCS_GDT     E    98_A     E    98_A      4   10  102      3    3   10   20   32   52   65   78   91   98  106  110  112  114  116  118  119  122  125  129 
LCS_GDT     M    99_A     M    99_A      4   28  102      3    9   24   41   61   76   84   94  103  108  110  111  114  115  117  118  122  123  125  129 
LCS_GDT     S   100_A     S   100_A      5   28  102      3    5   27   49   66   77   84   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     I   101_A     I   101_A      5   28  102      4   12   30   51   66   77   85   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     Q   102_A     Q   102_A      5   28  102      4   16   34   51   66   77   85   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     I   103_A     I   103_A      5   28  102      4   13   33   51   66   77   85   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     G   104_A     G   104_A      5   28  102      4   16   35   51   66   77   85   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     Y   105_A     Y   105_A      5   34  102      3    5   15   41   63   77   85   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     C   106_A     C   106_A      4   34  102      3    5    7   41   63   77   85   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     N   107_A     N   107_A      4   34  102      3    5   17   49   63   77   85   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     G   108_A     G   108_A      4   34  102      6   22   40   54   66   77   85   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     P   109_A     P   109_A      3   34  102      3    3   35   53   66   77   86   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     N   110_A     N   110_A      4   34  102      3    4    5   46   63   77   84   94  103  109  110  111  114  115  117  118  122  123  125  129 
LCS_GDT     S   111_A     S   111_A     13   34  102      9   26   41   53   66   77   85   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     T   112_A     T   112_A     13   34  102      4   13   36   51   66   77   85   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     L   113_A     L   113_A     13   34  102      4   22   41   54   66   79   87   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     N   114_A     N   114_A     13   34  102      5   11   34   51   66   77   85   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     G   115_A     G   115_A     23   34  102     11   29   41   57   67   80   87   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     L   116_A     L   116_A     23   34  102     17   33   46   61   72   80   87   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     E   117_A     E   117_A     23   34  102     17   33   46   61   72   80   87   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     Y   118_A     Y   118_A     23   34  102     17   33   46   61   72   80   87   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     H   119_A     H   119_A     23   34  102     17   33   46   61   72   80   87   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     K   120_A     K   120_A     23   34  102     17   33   46   61   72   80   87   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     S   121_A     S   121_A     23   34  102     17   33   46   61   72   80   87   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     S   122_A     S   122_A     23   34  102     17   33   46   61   72   80   87   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     E   123_A     E   123_A     23   34  102     17   33   46   61   72   80   87   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     I   124_A     I   124_A     23   34  102     17   33   46   61   72   80   87   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     N   125_A     N   125_A     23   34  102     11   33   46   61   72   80   87   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     I   126_A     I   126_A     23   34  102     13   33   46   61   72   80   87   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     A   127_A     A   127_A     23   34  102      6   18   43   61   72   80   87   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     I   128_A     I   128_A     23   34  102      5   18   42   61   72   80   87   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     T   129_A     T   129_A     23   34  102      6   18   41   61   72   80   87   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     D   130_A     D   130_A     23   34  102     10   31   44   61   72   80   87   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     M   131_A     M   131_A     23   34  102     13   33   46   61   72   80   87   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     V   132_A     V   132_A     23   34  102     13   33   46   61   72   80   87   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     L   133_A     L   133_A     23   34  102     17   33   46   61   72   80   87   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     L   134_A     L   134_A     23   34  102      7   32   46   61   72   80   87   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     L   135_A     L   135_A     23   34  102      9   33   46   61   72   80   87   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     G   136_A     G   136_A     23   34  102     14   33   46   61   72   80   87   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     K   137_A     K   137_A     23   34  102      7   31   46   61   72   80   87   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     V   138_A     V   138_A     23   34  102      6   17   34   57   72   80   87   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     Q   139_A     Q   139_A      4   34  102      3   16   40   58   71   79   86   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     E   140_A     E   140_A      4   25  102      3    3    4    6   37   43   51   54   88   96  106  111  113  115  117  119  122  123  125  129 
LCS_GDT     V   141_A     V   141_A      4    8  102      3    4    4    5   21   36   51   73   81   97  107  111  114  115  117  119  122  123  125  129 
LCS_GDT     E   142_A     E   142_A      4   13  102      3    4    4   17   21   27   35   44   62   92  103  111  114  115  117  119  122  123  124  125 
LCS_GDT     N   143_A     N   143_A      4   18  102      1    4    6    9   15   25   42   59   80   98  104  111  114  114  117  119  122  123  124  125 
LCS_GDT     N   144_A     N   144_A      9   29  102      3   11   24   34   55   74   87   94  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     V   145_A     V   145_A     10   29  102      3   11   24   35   61   76   87   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     F   146_A     F   146_A     10   29  102      3   11   25   42   64   80   87   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     H   147_A     H   147_A     10   29  102      4   11   19   36   63   75   87   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     S   148_A     S   148_A     10   29  102      5   11   23   52   66   77   87   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     N   149_A     N   149_A     10   29  102      4   11   34   52   66   77   87   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     D   150_A     D   150_A     10   29  102      4   14   31   52   66   80   87   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     V   151_A     V   151_A     10   39  102      9   29   46   60   71   80   87   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     I   152_A     I   152_A     12   39  102     17   33   46   61   72   80   87   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     A   153_A     A   153_A     12   39  102     17   33   46   61   72   80   87   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     F   154_A     F   154_A     12   39  102      7   33   46   61   72   80   87   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     F   155_A     F   155_A     12   39  102      8   33   46   61   72   80   87   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     V   156_A     V   156_A     12   39  102      4   26   46   61   72   80   87   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     P   157_A     P   157_A     12   39  102      3   20   40   54   67   80   87   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     K   158_A     K   158_A     12   39  102      8   26   42   57   71   80   87   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     G   159_A     G   159_A     12   39  102      5   15   32   51   64   79   86   95  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     T   160_A     T   160_A     12   39  102      8   27   46   61   72   80   87   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     A   161_A     A   161_A     12   39  102     12   27   46   60   72   80   87   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     V   162_A     V   162_A     12   39  102     12   27   46   61   72   80   87   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     E   163_A     E   163_A     12   39  102     12   33   46   61   72   80   87   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     L   164_A     L   164_A     12   39  102     17   33   46   61   72   80   87   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     Y   165_A     Y   165_A     12   39  102     10   33   46   61   72   80   87   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     S   166_A     S   166_A     12   39  102      7   27   46   61   72   80   87   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     T   167_A     T   167_A     12   39  102      4   13   32   54   66   78   86   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     T   168_A     T   168_A     12   39  102      6   25   46   61   72   80   87   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     L   169_A     L   169_A     12   39  102     13   33   46   61   72   80   87   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     H   170_A     H   170_A     12   39  102     14   33   46   61   72   80   87   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     F   171_A     F   171_A     12   39  102      5   25   41   56   67   80   87   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     A   172_A     A   172_A      8   39  102      3   18   42   60   72   80   87   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     P   173_A     P   173_A      8   39  102      3   13   32   59   72   80   87   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     C   174_A     C   174_A     12   39  102      3   15   33   61   72   80   87   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     K   175_A     K   175_A     12   39  102      5   12   30   59   72   80   87   94  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     V   176_A     V   176_A     12   39  102      5   16   41   61   72   80   87   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     N   177_A     N   177_A     12   39  102      5   16   41   61   72   80   87   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     N   178_A     N   178_A     12   39  102      5   16   29   58   72   80   87   94  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     E   179_A     E   179_A     12   39  102      5   16   33   59   72   80   87   94  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     G   180_A     G   180_A     12   39  102      3    3   22   53   72   79   85   93   98  104  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     F   181_A     F   181_A     12   39  102      3   18   32   59   72   79   87   94  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     K   182_A     K   182_A     12   39  102      6   18   32   59   72   79   87   94  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     T   183_A     T   183_A     12   39  102      6   18   43   61   72   80   87   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     I   184_A     I   184_A     12   39  102      7   19   42   61   72   80   87   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     V   185_A     V   185_A     12   39  102      5   18   43   61   72   80   87   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     I   186_A     I   186_A      9   39  102      7   23   46   61   72   80   87   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     L   187_A     L   187_A      9   39  102      8   32   46   61   72   80   87   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     P   188_A     P   188_A      9   39  102      6   33   46   61   72   80   87   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     K   189_A     K   189_A      9   39  102      5   25   42   61   72   80   87   96  103  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     G   190_A     G   190_A      3   39  102      3   12   30   55   72   79   87   93  101  109  110  111  114  115  117  119  122  123  125  129 
LCS_GDT     T   191_A     T   191_A      3    6  102      3    3    3    6    6    7    9   15   29   49   89  102  106  115  116  119  122  123  125  129 
LCS_GDT     N   192_A     N   192_A      3    6  102      3    3    5    6    7   19   22   28   38   82   90  102  105  107  112  119  122  123  125  129 
LCS_GDT     D   193_A     D   193_A      3    6  102      4    4    4    6   26   31   38   73   83   98   98  104  110  112  115  118  122  123  125  129 
LCS_GDT     P   194_A     P   194_A      4    6  102      4    4    4    6    7    8   16   23   61   91   93   98  106  112  115  117  122  123  125  129 
LCS_GDT     L   195_A     L   195_A      4    6  102      4    4    4    6    9   10   11   12   19   23   48   53  102  111  112  117  118  120  124  129 
LCS_GDT     S   196_A     S   196_A      4    6  102      3    4    4    5    7    7   10   11   13   21   27   31   36   52   65   78   91  106  113  119 
LCS_GDT     T   197_A     T   197_A      4    6  102      3    4    4    6    6    8    9   10   12   17   25   31   36   40   46   59   82   93  106  116 
LCS_GDT     N   198_A     N   198_A      4    6  102      3    3    4    6    6    8    9   10   12   18   26   31   36   40   52   66   82   94  108  116 
LCS_GDT     I   199_A     I   199_A      4    6   16      3    3    4    4    5    8    9   10   15   21   27   34   44   51   65   77   87   97  108  116 
LCS_GDT     Q   200_A     Q   200_A      3    6   16      3    3    4    6    6    8    9   11   16   21   27   33   40   56   68   80   92  102  112  116 
LCS_GDT     K   201_A     K   201_A      3    8   17      3    3    4    6    7    8    9   11   15   21   27   34   40   48   67   79   92  102  112  116 
LCS_GDT     R   202_A     R   202_A      6    8   17      4    5    6    7    7    9   10   11   11   14   18   27   33   42   57   64   76   89  102  110 
LCS_GDT     T   203_A     T   203_A      6    8   17      3    5    6    7    7    9   11   15   18   23   32   35   46   57   73   82   90  101  108  116 
LCS_GDT     K   204_A     K   204_A      6    8   17      4    5    6    7    7    9   10   15   18   21   34   36   50   56   73   82   89   97  108  114 
LCS_GDT     E   205_A     E   205_A      6    8   17      4    5    6    7    7    9   10   11   17   23   30   34   37   43   57   69   79   91  104  112 
LCS_GDT     D   206_A     D   206_A      6    8   17      4    5    6    7    7   10   13   17   19   24   30   35   39   52   64   74   86   96  108  114 
LCS_GDT     E   207_A     E   207_A      6    8   17      4    5    6    7    8   11   14   17   21   27   31   39   48   58   68   79   92  101  108  116 
LCS_GDT     L   208_A     L   208_A      6    8   17      3    4    6    7    7    9   10   13   17   23   30   34   44   51   60   70   82   92  106  112 
LCS_GDT     L   209_A     L   209_A      4    6   17      3    4    4    5    5    9   10   11   14   16   19   26   27   33   38   46   53   64   76   85 
LCS_GDT     F   210_A     F   210_A      5    7   17      4    5    5    6    7    9   10   11   14   16   16   19   24   26   30   37   41   47   54   66 
LCS_GDT     M   211_A     M   211_A      5    7   17      4    5    5    6    6    8   10   11   14   16   16   18   24   26   29   37   38   41   44   48 
LCS_GDT     K   212_A     K   212_A      5    7   17      4    5    5    6    6    8    9   10   10   11   13   14   21   22   24   27   28   31   37   42 
LCS_GDT     N   213_A     N   213_A      5    7   17      4    5    5    6    6    8    9   10   10   11   12   14   15   17   20   20   24   25   32   42 
LCS_GDT     K   214_A     K   214_A      5    7   17      3    3    5    6    6    8    9   10   10   13   14   15   18   20   20   22   26   31   35   42 
LCS_GDT     W   215_A     W   215_A      3    7   17      3    3    3    5    6    7    8   11   12   13   15   17   18   22   25   32   37   38   45   51 
LCS_GDT     L   216_A     L   216_A      3    7   17      3    3    4    5    6    7    8   11   12   14   18   20   26   32   42   46   56   65   72   79 
LCS_GDT     I   217_A     I   217_A      5    6   17      3    4    5    5    6    7    8   11   12   17   25   31   34   40   44   54   66   80   92  102 
LCS_GDT     A   218_A     A   218_A      5    6   16      3    4    5    5    6    7    8   13   18   21   27   33   36   43   50   66   76   87   97  107 
LCS_GDT     H   219_A     H   219_A      5    6   15      3    4    5    5    6    7    9   15   17   20   26   33   35   43   47   60   72   80   94  101 
LCS_GDT     P   220_A     P   220_A      5    6   15      3    4    5    5    6    8   12   15   17   20   25   31   34   38   43   52   60   65   72   79 
LCS_GDT     E   221_A     E   221_A      5    6   15      3    4    5    7    7    8   12   15   17   20   25   31   34   40   47   54   60   66   74   79 
LCS_GDT     R   222_A     R   222_A      4    5   15      3    4    4    4    5    7   12   13   16   20   22   26   31   35   42   46   56   65   69   75 
LCS_GDT     E   223_A     E   223_A      4    5   15      3    4    4    4    4    5    7   10   11   14   20   25   31   35   40   44   50   53   59   63 
LCS_GDT     Q   224_A     Q   224_A      4    5    9      3    4    4    4    4    6    7    8    9   11   13   15   19   22   35   39   42   48   55   56 
LCS_GDT     L   225_A     L   225_A      3    3    8      3    3    3    4    4    5    6    7    7   13   14   16   22   26   26   30   36   41   45   50 
LCS_GDT     I   226_A     I   226_A      3    3   12      3    3    3    4    4    5    6    9   11   14   15   19   22   26   26   30   34   39   45   50 
LCS_GDT     N   227_A     N   227_A      3    5   12      0    3    3    4    5    5    6    9   11   14   15   19   22   26   26   30   34   39   45   50 
LCS_GDT     K   228_A     K   228_A      3    8   12      0    3    4    6    7    8    9    9    9   10   10   11   13   26   26   30   33   37   40   45 
LCS_GDT     G   229_A     G   229_A      6    8   12      4    6    6    6    7    8    9    9   16   17   19   20   23   27   29   32   34   37   41   45 
LCS_GDT     A   230_A     A   230_A      6    8   12      4    6    6    6    7    8    9    9    9   12   13   13   13   13   15   18   34   38   41   45 
LCS_GDT     H   231_A     H   231_A      6    8   13      4    6    6    6    7    8    9    9    9   12   13   13   13   13   32   35   35   38   38   43 
LCS_GDT     P   232_A     P   232_A      6    8   13      4    6    6    6    7    8    9    9    9   10   11   12   13   13   15   15   17   18   20   25 
LCS_GDT     G   233_A     G   233_A      6    8   13      4    6    6    6    7    8    9    9   11   11   11   12   13   13   15   15   17   18   29   30 
LCS_GDT     I   234_A     I   234_A      6    8   13      4    6    6    6    7    8    9   10   11   11   11   12   13   13   15   15   17   18   19   19 
LCS_GDT     K   235_A     K   235_A      4    9   13      4    4    5    8    9    9    9   10   11   11   11   12   13   13   15   15   17   18   20   22 
LCS_GDT     G   236_A     G   236_A      4    9   13      4    5    6    8    9    9    9   10   11   11   11   12   13   13   15   15   17   18   19   19 
LCS_GDT     E   237_A     E   237_A      5    9   13      3    5    6    8    9    9    9   10   11   11   11   12   13   13   15   15   15   15   16   16 
LCS_GDT     N   238_A     N   238_A      6    9   13      4    5    6    8    9    9    9   10   11   11   11   12   13   13   15   15   15   15   15   16 
LCS_GDT     I   239_A     I   239_A      6    9   13      4    5    6    8    9    9    9   10   11   11   11   12   13   13   15   15   15   15   15   16 
LCS_GDT     K   240_A     K   240_A      6    9   13      4    5    6    8    9    9    9   10   11   11   11   12   13   13   15   15   15   15   15   16 
LCS_GDT     V   241_A     V   241_A      6    9   13      4    5    6    8    9    9    9   10   11   11   11   12   13   13   15   15   15   15   15   16 
LCS_GDT     Y   242_A     Y   242_A      6    9   13      3    5    6    8    9    9    9   10   11   11   11   12   13   13   15   15   15   15   15   16 
LCS_GDT     Q   243_A     Q   243_A      6    9   13      3    5    6    8    9    9    9   10   11   11   11   12   13   13   15   15   15   15   15   16 
LCS_AVERAGE  LCS_A:  13.78  (   4.16    9.42   27.77 )

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     17     33     46     61     72     80     87     96    103    109    110    111    114    115    117    119    122    123    125    129 
GDT PERCENT_AT   7.66  14.86  20.72  27.48  32.43  36.04  39.19  43.24  46.40  49.10  49.55  50.00  51.35  51.80  52.70  53.60  54.95  55.41  56.31  58.11
GDT RMS_LOCAL    0.32   0.63   0.93   1.30   1.53   1.80   2.06   2.35   2.52   2.71   2.76   2.80   3.11   3.22   3.34   3.64   3.75   3.84   4.26   4.72
GDT RMS_ALL_AT  24.92  24.96  25.06  24.97  25.05  25.15  25.20  25.33  25.29  25.28  25.27  25.27  25.37  25.39  25.48  25.47  25.43  25.45  25.21  25.02

# Checking swapping
#   possible swapping detected:  F    24_A      F    24_A
#   possible swapping detected:  Y    26_A      Y    26_A
#   possible swapping detected:  F    36_A      F    36_A
#   possible swapping detected:  Y    37_A      Y    37_A
#   possible swapping detected:  D    41_A      D    41_A
#   possible swapping detected:  Y    47_A      Y    47_A
#   possible swapping detected:  F    56_A      F    56_A
#   possible swapping detected:  Y    62_A      Y    62_A
#   possible swapping detected:  E    83_A      E    83_A
#   possible swapping detected:  E    93_A      E    93_A
#   possible swapping detected:  F    95_A      F    95_A
#   possible swapping detected:  E    98_A      E    98_A
#   possible swapping detected:  Y   105_A      Y   105_A
#   possible swapping detected:  E   123_A      E   123_A
#   possible swapping detected:  F   146_A      F   146_A
#   possible swapping detected:  F   155_A      F   155_A
#   possible swapping detected:  E   205_A      E   205_A
#   possible swapping detected:  E   223_A      E   223_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    23.721     0    0.206   0.206    26.435    0.000    0.000
LGA    S    23_A      S    23_A    19.403     0    0.555   0.911    21.146    0.000    0.000
LGA    F    24_A      F    24_A    12.603     0    0.608   1.484    14.942    0.000    0.000
LGA    Q    25_A      Q    25_A    14.704     0    0.382   1.645    16.557    0.000    0.000
LGA    Y    26_A      Y    26_A    15.123     0    0.138   0.772    19.597    0.000    0.000
LGA    M    27_A      M    27_A    13.821     0    0.304   1.315    16.753    0.000    0.000
LGA    K    28_A      K    28_A    12.474     0    0.521   0.999    13.216    0.000    0.000
LGA    D    29_A      D    29_A    12.236     0    0.077   1.086    12.401    0.000    0.000
LGA    L    30_A      L    30_A    10.271     0    0.149   1.325    13.054    1.071    0.595
LGA    N    31_A      N    31_A     8.804     0    0.612   0.658     9.741    5.357    3.869
LGA    K    32_A      K    32_A     8.647     0    0.401   1.059    15.800   13.214    6.032
LGA    H    33_A      H    33_A     3.704     0    0.537   0.661     6.109   51.786   44.048
LGA    I    34_A      I    34_A     3.210     0    0.563   0.881     6.370   45.476   37.619
LGA    P    35_A      P    35_A     4.642     0    0.187   0.217     5.247   43.810   38.707
LGA    F    36_A      F    36_A     3.757     0    0.044   1.158     4.638   37.381   40.736
LGA    Y    37_A      Y    37_A     2.580     0    0.021   0.471     8.103   67.143   38.849
LGA    H    38_A      H    38_A     1.662     0    0.040   1.033     7.552   70.833   47.857
LGA    I    39_A      I    39_A     1.461     0    0.645   1.177     4.273   71.429   63.929
LGA    E    40_A      E    40_A     1.710     0    0.682   0.927     7.330   65.476   42.169
LGA    D    41_A      D    41_A     4.556     0    0.593   0.916     7.959   48.929   28.393
LGA    S    42_A      S    42_A     0.682     0    0.099   0.667     2.599   86.190   83.651
LGA    K    43_A      K    43_A     1.306     0    0.059   0.784     6.472   83.810   59.841
LGA    F    44_A      F    44_A     0.489     0    0.097   0.260     2.216   92.976   81.861
LGA    K    45_A      K    45_A     1.213     2    0.031   0.748     5.292   81.429   52.963
LGA    H    46_A      H    46_A     1.227     0    0.027   1.045     2.915   81.429   77.381
LGA    Y    47_A      Y    47_A     0.929     0    0.035   0.230     1.149   88.214   89.722
LGA    G    48_A      G    48_A     1.103     0    0.083   0.083     1.103   85.952   85.952
LGA    K    49_A      K    49_A     0.988     4    0.136   0.282     1.977   83.690   45.291
LGA    V    50_A      V    50_A     1.356     0    0.081   0.623     2.639   83.690   78.027
LGA    I    51_A      I    51_A     1.583     0    0.023   0.060     2.180   72.976   73.988
LGA    N    52_A      N    52_A     2.350     0    0.762   0.692     4.465   57.500   54.881
LGA    E    53_A      E    53_A     3.845     0    0.546   0.915     5.389   40.357   34.815
LGA    Y    54_A      Y    54_A     2.731     0    0.187   0.638    10.619   52.143   27.540
LGA    D    55_A      D    55_A     4.469     0    0.086   0.601     8.828   30.357   22.798
LGA    F    56_A      F    56_A     8.889     0    0.255   1.254    13.279    3.214   24.545
LGA    N    57_A      N    57_A    13.763     0    0.065   1.147    17.425    0.000    0.000
LGA    E    58_A      E    58_A    15.492     0    0.051   0.352    19.661    0.000    0.000
LGA    L    59_A      L    59_A    17.931     0    0.088   1.405    21.912    0.000    0.000
LGA    E    60_A      E    60_A    20.761     0    0.091   0.397    25.402    0.000    0.000
LGA    T    61_A      T    61_A    24.812     0    0.019   0.102    29.010    0.000    0.000
LGA    Y    62_A      Y    62_A    27.400     0    0.090   1.308    31.439    0.000    0.000
LGA    M    63_A      M    63_A    29.038     0    0.052   0.555    33.007    0.000    0.000
LGA    D    64_A      D    64_A    32.826     0    0.172   0.264    37.491    0.000    0.000
LGA    S    65_A      S    65_A    37.241     0    0.121   0.511    41.097    0.000    0.000
LGA    L    66_A      L    66_A    39.203     0    0.020   0.211    40.699    0.000    0.000
LGA    T    67_A      T    67_A    44.435     0    0.142   0.242    48.309    0.000    0.000
LGA    I    68_A      I    68_A    42.910     0    0.117   0.205    47.241    0.000    0.000
LGA    P    69_A      P    69_A    46.056     0    0.456   0.527    46.371    0.000    0.000
LGA    Q    70_A      Q    70_A    48.686     0    0.648   1.419    51.332    0.000    0.000
LGA    D    71_A      D    71_A    52.693     3    0.267   0.294    55.043    0.000    0.000
LGA    Q    72_A      Q    72_A    49.864     3    0.635   0.959    51.078    0.000    0.000
LGA    N    73_A      N    73_A    44.030     0    0.194   1.304    45.969    0.000    0.000
LGA    V    74_A      V    74_A    39.955     0    0.262   1.321    41.213    0.000    0.000
LGA    Y    75_A      Y    75_A    34.701     0    0.033   1.312    36.937    0.000    0.000
LGA    V    76_A      V    76_A    31.012     0    0.611   0.670    32.308    0.000    0.000
LGA    A    77_A      A    77_A    27.357     0    0.528   0.541    28.915    0.000    0.000
LGA    S    78_A      S    78_A    23.797     0    0.071   0.711    26.188    0.000    0.000
LGA    V    79_A      V    79_A    23.104     0    0.266   1.033    23.104    0.000    0.000
LGA    T    80_A      T    80_A    23.395     0    0.071   0.138    26.189    0.000    0.000
LGA    E    81_A      E    81_A    20.633     0    0.060   1.692    22.061    0.000    0.000
LGA    M    82_A      M    82_A    19.057     0    0.040   1.055    21.696    0.000    0.000
LGA    E    83_A      E    83_A    19.623     0    0.096   1.018    23.173    0.000    0.000
LGA    N    84_A      N    84_A    20.191     0    0.501   1.125    21.442    0.000    0.000
LGA    T    85_A      T    85_A    17.646     0    0.627   1.358    18.008    0.000    0.000
LGA    I    86_A      I    86_A    19.650     0    0.071   1.258    23.445    0.000    0.000
LGA    I    87_A      I    87_A    19.897     0    0.049   1.010    21.843    0.000    0.000
LGA    K    88_A      K    88_A    15.416     0    0.032   1.641    17.079    0.000    0.000
LGA    N    89_A      N    89_A    14.720     0    0.031   0.675    15.741    0.000    0.000
LGA    Q    90_A      Q    90_A    18.607     0    0.035   1.185    25.853    0.000    0.000
LGA    L    91_A      L    91_A    17.709     0    0.029   0.120    20.702    0.000    0.000
LGA    Q    92_A      Q    92_A    13.221     0    0.088   1.117    14.733    0.000    2.222
LGA    E    93_A      E    93_A    14.846     0    0.116   1.157    17.896    0.000    0.000
LGA    A    94_A      A    94_A    19.810     0    0.155   0.169    21.676    0.000    0.000
LGA    F    95_A      F    95_A    20.035     0    0.542   1.223    22.198    0.000    0.000
LGA    Y    96_A      Y    96_A    16.178     0    0.254   1.399    24.888    0.000    0.000
LGA    G    97_A      G    97_A    12.206     0    0.284   0.284    13.558    0.000    0.000
LGA    E    98_A      E    98_A     8.219     0    0.656   1.213    15.000   15.119    7.037
LGA    M    99_A      M    99_A     4.890     0    0.150   0.659    10.200   32.262   18.333
LGA    S   100_A      S   100_A     3.607     0    0.269   0.699     7.499   43.452   35.873
LGA    I   101_A      I   101_A     3.691     0    0.170   1.209     6.639   46.667   45.655
LGA    Q   102_A      Q   102_A     3.544     0    0.088   0.724     4.376   41.786   41.323
LGA    I   103_A      I   103_A     3.817     0    0.024   0.180     6.194   43.333   34.286
LGA    G   104_A      G   104_A     3.496     0    0.407   0.407     4.523   43.690   43.690
LGA    Y   105_A      Y   105_A     3.686     0    0.346   1.158     6.578   43.452   36.667
LGA    C   106_A      C   106_A     3.251     0    0.143   0.881     4.024   46.786   49.048
LGA    N   107_A      N   107_A     3.295     0    0.016   0.189     6.572   57.381   39.107
LGA    G   108_A      G   108_A     2.470     0    0.103   0.103     3.112   63.095   63.095
LGA    P   109_A      P   109_A     2.474     0    0.688   0.558     5.281   73.214   56.259
LGA    N   110_A      N   110_A     4.099     0    0.103   0.629     8.423   40.476   24.464
LGA    S   111_A      S   111_A     2.443     0    0.387   0.354     3.440   57.262   56.032
LGA    T   112_A      T   112_A     3.073     0    0.193   0.871     4.060   53.571   50.272
LGA    L   113_A      L   113_A     2.059     0    0.581   1.355     5.514   50.238   67.024
LGA    N   114_A      N   114_A     3.238     0    0.263   0.268     6.812   59.286   40.595
LGA    G   115_A      G   115_A     1.787     0    0.031   0.031     2.142   75.119   75.119
LGA    L   116_A      L   116_A     0.856     0    0.135   0.218     1.277   88.214   89.405
LGA    E   117_A      E   117_A     0.913     0    0.032   0.208     1.082   90.476   89.471
LGA    Y   118_A      Y   118_A     0.957     0    0.029   0.579     3.033   90.476   80.516
LGA    H   119_A      H   119_A     0.904     0    0.173   0.211     0.966   92.857   93.333
LGA    K   120_A      K   120_A     1.749     0    0.313   0.824     2.481   70.833   74.921
LGA    S   121_A      S   121_A     1.015     0    0.090   0.635     1.330   81.429   81.429
LGA    S   122_A      S   122_A     1.003     0    0.098   0.135     1.351   85.952   87.460
LGA    E   123_A      E   123_A     0.717     0    0.731   1.159     3.462   78.095   79.153
LGA    I   124_A      I   124_A     0.754     0    0.118   1.455     3.699   90.476   82.321
LGA    N   125_A      N   125_A     0.820     0    0.039   0.638     2.177   92.857   85.119
LGA    I   126_A      I   126_A     1.522     0    0.077   0.214     2.970   69.048   66.905
LGA    A   127_A      A   127_A     2.628     0    0.179   0.347     3.324   59.286   60.381
LGA    I   128_A      I   128_A     3.417     0    0.194   0.971     4.027   46.667   46.905
LGA    T   129_A      T   129_A     3.594     0    0.693   1.470     5.643   42.024   42.517
LGA    D   130_A      D   130_A     2.695     0    0.187   0.942     3.026   59.167   64.048
LGA    M   131_A      M   131_A     1.868     0    0.152   1.011     3.642   72.976   64.405
LGA    V   132_A      V   132_A     1.476     0    0.031   0.171     2.597   77.143   71.905
LGA    L   133_A      L   133_A     0.774     0    0.105   1.334     3.181   90.476   81.071
LGA    L   134_A      L   134_A     0.995     0    0.024   0.996     4.029   88.214   77.143
LGA    L   135_A      L   135_A     0.340     0    0.051   0.894     4.183   97.619   80.000
LGA    G   136_A      G   136_A     0.450     0    0.115   0.115     1.011   92.976   92.976
LGA    K   137_A      K   137_A     1.237     0    0.083   0.908     5.928   85.952   65.026
LGA    V   138_A      V   138_A     2.104     0    0.673   0.601     4.329   67.024   56.939
LGA    Q   139_A      Q   139_A     3.107     0    0.688   1.126     8.529   42.857   27.513
LGA    E   140_A      E   140_A     7.960     0    0.478   0.949    13.659    9.643    4.339
LGA    V   141_A      V   141_A     8.235     0    0.061   1.040     9.879    6.667    4.490
LGA    E   142_A      E   142_A     9.792     4    0.474   0.566    11.455    0.833    0.370
LGA    N   143_A      N   143_A     8.831     0    0.645   0.860    12.082    2.738    1.369
LGA    N   144_A      N   144_A     5.245     0    0.307   0.920     5.938   26.310   30.893
LGA    V   145_A      V   145_A     4.076     0    0.076   0.095     4.519   43.571   41.769
LGA    F   146_A      F   146_A     3.036     0    0.029   1.176     7.153   50.000   42.251
LGA    H   147_A      H   147_A     4.054     0    0.071   1.012     6.864   45.119   32.810
LGA    S   148_A      S   148_A     3.030     0    0.017   0.769     3.833   55.476   51.429
LGA    N   149_A      N   149_A     3.060     0    0.050   1.029     5.149   57.381   46.667
LGA    D   150_A      D   150_A     2.392     0    0.034   1.215     4.728   66.905   55.298
LGA    V   151_A      V   151_A     0.742     0    0.055   0.208     1.658   92.976   85.578
LGA    I   152_A      I   152_A     0.705     0    0.070   0.847     3.066   95.238   86.667
LGA    A   153_A      A   153_A     0.881     0    0.041   0.118     1.726   83.810   81.619
LGA    F   154_A      F   154_A     1.124     0    0.099   0.212     2.358   88.214   78.528
LGA    F   155_A      F   155_A     0.979     0    0.018   1.198     3.651   88.214   74.545
LGA    V   156_A      V   156_A     1.344     0    0.198   1.138     4.436   77.381   69.184
LGA    P   157_A      P   157_A     2.305     0    0.637   0.607     4.258   57.976   64.422
LGA    K   158_A      K   158_A     2.257     1    0.634   0.652     3.070   66.786   53.492
LGA    G   159_A      G   159_A     3.741     0    0.096   0.096     3.741   48.452   48.452
LGA    T   160_A      T   160_A     1.761     0    0.046   0.125     2.669   72.976   70.680
LGA    A   161_A      A   161_A     1.389     0    0.175   0.212     1.817   79.286   78.000
LGA    V   162_A      V   162_A     1.375     0    0.059   0.088     1.793   83.690   80.272
LGA    E   163_A      E   163_A     0.938     0    0.154   0.699     5.372   83.810   67.037
LGA    L   164_A      L   164_A     0.888     0    0.043   0.875     3.762   90.476   79.048
LGA    Y   165_A      Y   165_A     0.673     0    0.073   1.156     8.270   90.476   55.595
LGA    S   166_A      S   166_A     0.881     0    0.397   0.629     1.986   83.810   81.587
LGA    T   167_A      T   167_A     2.839     0    0.082   0.147     4.364   60.952   52.517
LGA    T   168_A      T   168_A     1.511     0    0.084   1.185     3.822   81.667   72.517
LGA    L   169_A      L   169_A     0.604     0    0.029   1.175     3.906   90.476   81.250
LGA    H   170_A      H   170_A     0.686     0    0.050   0.092     0.845   90.476   90.476
LGA    F   171_A      F   171_A     1.745     0    0.176   0.472     5.323   83.810   55.671
LGA    A   172_A      A   172_A     2.184     0    0.058   0.054     2.798   70.952   68.190
LGA    P   173_A      P   173_A     3.708     0    0.094   0.129     4.626   45.000   40.884
LGA    C   174_A      C   174_A     4.065     0    0.081   0.796     4.212   40.238   41.270
LGA    K   175_A      K   175_A     4.829     0    0.115   1.063    10.194   30.119   16.878
LGA    V   176_A      V   176_A     4.083     0    0.545   1.379     6.304   30.714   37.211
LGA    N   177_A      N   177_A     4.424     0    0.148   0.254     4.920   35.833   39.762
LGA    N   178_A      N   178_A     5.695     0    0.096   0.829     9.278   21.548   14.583
LGA    E   179_A      E   179_A     5.395     4    0.620   0.572     5.483   27.500   15.132
LGA    G   180_A      G   180_A     6.779     0    0.227   0.227     6.916   14.286   14.286
LGA    F   181_A      F   181_A     5.185     0    0.103   0.363     6.095   28.810   25.931
LGA    K   182_A      K   182_A     4.842     0    0.040   0.764     9.662   32.976   19.683
LGA    T   183_A      T   183_A     3.304     0    0.085   0.214     3.789   46.667   48.163
LGA    I   184_A      I   184_A     3.365     0    0.041   1.077     5.291   50.000   44.048
LGA    V   185_A      V   185_A     2.770     0    0.071   0.778     3.834   53.571   52.109
LGA    I   186_A      I   186_A     2.490     0    0.073   0.626     3.156   68.810   62.083
LGA    L   187_A      L   187_A     1.512     0    0.034   0.900     3.611   72.857   69.226
LGA    P   188_A      P   188_A     1.841     0    0.072   0.168     2.195   70.952   71.837
LGA    K   189_A      K   189_A     3.124     2    0.117   0.582     3.739   48.452   39.841
LGA    G   190_A      G   190_A     6.248     0    0.691   0.691     6.519   19.524   19.524
LGA    T   191_A      T   191_A     8.972     0    0.128   0.975    12.209    2.024    1.156
LGA    N   192_A      N   192_A    11.143     0    0.718   1.215    16.098    0.119    0.060
LGA    D   193_A      D   193_A     9.960     0    0.140   1.009    13.945    0.595    0.298
LGA    P   194_A      P   194_A    10.239     0    0.575   0.576    11.509    0.238    0.204
LGA    L   195_A      L   195_A     9.888     0    0.171   1.327    11.534    0.476    7.738
LGA    S   196_A      S   196_A    15.309     0    0.691   0.840    18.615    0.000    0.000
LGA    T   197_A      T   197_A    17.245     0    0.098   1.097    17.410    0.000    0.000
LGA    N   198_A      N   198_A    18.326     0    0.191   1.060    21.635    0.000    0.000
LGA    I   199_A      I   199_A    20.700     0    0.573   1.307    22.193    0.000    0.000
LGA    Q   200_A      Q   200_A    20.537     4    0.590   0.562    21.441    0.000    0.000
LGA    K   201_A      K   201_A    19.902     0    0.597   1.471    22.826    0.000    0.000
LGA    R   202_A      R   202_A    22.776     0    0.574   1.558    30.818    0.000    0.000
LGA    T   203_A      T   203_A    21.750     0    0.108   0.095    22.890    0.000    0.000
LGA    K   204_A      K   204_A    21.575     0    0.675   1.287    22.870    0.000    0.000
LGA    E   205_A      E   205_A    23.486     0    0.053   0.840    28.791    0.000    0.000
LGA    D   206_A      D   206_A    23.320     0    0.040   0.127    25.427    0.000    0.000
LGA    E   207_A      E   207_A    20.997     0    0.278   1.237    21.679    0.000    0.000
LGA    L   208_A      L   208_A    22.235     0    0.597   0.937    22.997    0.000    0.000
LGA    L   209_A      L   209_A    25.428     0    0.049   0.971    27.191    0.000    0.000
LGA    F   210_A      F   210_A    27.898     0    0.644   1.338    29.281    0.000    0.000
LGA    M   211_A      M   211_A    31.313     0    0.028   0.960    33.400    0.000    0.000
LGA    K   212_A      K   212_A    36.944     0    0.048   0.729    45.172    0.000    0.000
LGA    N   213_A      N   213_A    36.528     0    0.636   1.141    39.367    0.000    0.000
LGA    K   214_A      K   214_A    31.036     0    0.055   0.661    33.500    0.000    0.000
LGA    W   215_A      W   215_A    28.472     0    0.291   1.088    38.217    0.000    0.000
LGA    L   216_A      L   216_A    22.164     0    0.604   0.756    24.826    0.000    0.000
LGA    I   217_A      I   217_A    22.322     0    0.549   0.659    22.322    0.000    0.000
LGA    A   218_A      A   218_A    21.859     0    0.059   0.064    23.109    0.000    0.000
LGA    H   219_A      H   219_A    23.663     0    0.137   1.196    25.525    0.000    0.000
LGA    P   220_A      P   220_A    29.383     0    0.684   0.599    31.184    0.000    0.000
LGA    E   221_A      E   221_A    30.131     0    0.718   0.980    31.042    0.000    0.000
LGA    R   222_A      R   222_A    32.801     0    0.298   1.021    35.544    0.000    0.000
LGA    E   223_A      E   223_A    38.559     0    0.672   1.230    40.408    0.000    0.000
LGA    Q   224_A      Q   224_A    40.764     4    0.645   0.607    42.544    0.000    0.000
LGA    L   225_A      L   225_A    42.760     0    0.628   0.637    46.075    0.000    0.000
LGA    I   226_A      I   226_A    49.489     0    0.626   0.969    53.165    0.000    0.000
LGA    N   227_A      N   227_A    54.355     0    0.671   1.107    56.938    0.000    0.000
LGA    K   228_A      K   228_A    56.899     0    0.639   1.183    58.065    0.000    0.000
LGA    G   229_A      G   229_A    60.728     0    0.669   0.669    60.728    0.000    0.000
LGA    A   230_A      A   230_A    60.435     0    0.082   0.082    62.627    0.000    0.000
LGA    H   231_A      H   231_A    62.851     0    0.037   0.177    65.067    0.000    0.000
LGA    P   232_A      P   232_A    65.718     0    0.175   0.366    67.208    0.000    0.000
LGA    G   233_A      G   233_A    66.501     0    0.692   0.692    66.501    0.000    0.000
LGA    I   234_A      I   234_A    66.731     0    0.080   1.245    68.700    0.000    0.000
LGA    K   235_A      K   235_A    68.841     0    0.155   1.107    69.131    0.000    0.000
LGA    G   236_A      G   236_A    70.862     0    0.128   0.128    71.910    0.000    0.000
LGA    E   237_A      E   237_A    72.407     4    0.041   0.055    72.879    0.000    0.000
LGA    N   238_A      N   238_A    74.695     0    0.215   1.154    77.246    0.000    0.000
LGA    I   239_A      I   239_A    73.189     0    0.083   1.061    73.947    0.000    0.000
LGA    K   240_A      K   240_A    75.363     0    0.087   1.642    77.827    0.000    0.000
LGA    V   241_A      V   241_A    73.111     0    0.138   1.020    75.196    0.000    0.000
LGA    Y   242_A      Y   242_A    75.691     0    0.079   1.174    87.212    0.000    0.000
LGA    Q   243_A      Q   243_A    75.053     0    0.238   1.266    80.400    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):    20.296         20.279                 20.375           32.221   28.747

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  243  222    4.0     96    2.35    34.797    30.453     3.918

LGA_LOCAL      RMSD:   2.350  Number of atoms:   96  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  25.326  Number of assigned atoms:  222 
Std_ASGN_ATOMS RMSD:  20.296  Standard rmsd on all 222 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.382506 * X  +   0.698282 * Y  +  -0.605055 * Z  +  -6.702322
  Y_new =  -0.714546 * X  +   0.638721 * Y  +   0.285411 * Z  +  36.435017
  Z_new =   0.585758 * X  +   0.323168 * Y  +   0.743269 * Z  +  31.516333 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.079299 -0.625815  0.410136   [DEG:  -61.8393  -35.8566   23.4991 ]
ZXZ: -2.011558  0.732852  1.066642   [DEG: -115.2538   41.9893   61.1141 ]
 
# END of job
