
#######################################################
#                                                     #
#                        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:   110      86_A - 195_A       4.97    25.20
  LCS_AVERAGE:     30.06

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    39     152_A - 190_A       2.00    25.67
  LCS_AVERAGE:      9.11

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    23     115_A - 137_A       0.97    25.15
  LONGEST_CONTINUOUS_SEGMENT:    23     116_A - 138_A       0.97    25.11
  LCS_AVERAGE:      3.86

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    4   20      0    2    3    3    4    6    7    8   11   13   16   18   21   23   24   28   31   42   46   48 
LCS_GDT     S    23_A     S    23_A      3    4   20      0    3    3    3    4    6    7   12   12   14   16   17   18   21   28   35   36   42   46   48 
LCS_GDT     F    24_A     F    24_A      3    7   20      3    3    3    5    6    8   10   12   12   22   29   35   40   64   92  100  119  125  129  131 
LCS_GDT     Q    25_A     Q    25_A      5    8   20      4    4    5    8    9   11   11   16   19   22   26   35   40   46   51   96  112  125  127  129 
LCS_GDT     Y    26_A     Y    26_A      5    8   20      4    4    5    7    9   11   11   14   19   20   23   30   33   39   51   52   58   62   79  124 
LCS_GDT     M    27_A     M    27_A      5    8   28      4    4    5    7    9   11   11   14   19   20   23   30   33   46   52   84  100  117  120  129 
LCS_GDT     K    28_A     K    28_A      5    8   28      4    4    5    8    9   11   11   16   19   22   26   34   57   63   92  100  119  125  129  131 
LCS_GDT     D    29_A     D    29_A      5    8   28      3    4    5    8    9   11   11   16   19   22   26   34   57   80   92  100  119  125  129  131 
LCS_GDT     L    30_A     L    30_A      4    8   28      3    4    5    8    9   11   11   16   19   44   55   76   85  112  114  118  123  126  131  132 
LCS_GDT     N    31_A     N    31_A      4    8   28      3    4    5    8   12   17   24   35   71   83  101  108  112  115  118  121  124  126  131  132 
LCS_GDT     K    32_A     K    32_A      3    8   28      3    3    4    5    7   17   24   35   71   87  101  108  112  115  117  121  123  126  131  132 
LCS_GDT     H    33_A     H    33_A      3   19   28      3   12   37   56   69   78   86   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     I    34_A     I    34_A      6   19   28      7   29   45   60   73   78   86   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     P    35_A     P    35_A      6   19   28      3    9   33   57   73   77   84   90  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     F    36_A     F    36_A      6   19   28      3   14   43   60   73   78   86   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     Y    37_A     Y    37_A      6   19   28      7   19   45   60   73   78   86   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     H    38_A     H    38_A      6   19   28      5   19   44   60   73   78   86   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     I    39_A     I    39_A      6   19   28      7   19   45   60   73   78   86   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     E    40_A     E    40_A      6   19   28     11   29   45   60   73   78   86   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     D    41_A     D    41_A      5   19   28      3    8   19   36   57   74   85   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     S    42_A     S    42_A     11   19   28     16   33   45   60   73   78   86   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     K    43_A     K    43_A     11   19   28      4   27   45   60   73   78   86   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     F    44_A     F    44_A     11   19   28     16   33   45   60   73   78   86   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     K    45_A     K    45_A     11   19   28     16   33   45   60   73   78   86   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     H    46_A     H    46_A     11   19   28     16   33   45   60   73   78   86   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     Y    47_A     Y    47_A     11   19   28     16   33   45   60   73   78   86   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     G    48_A     G    48_A     11   19   28     16   33   45   60   73   78   86   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     K    49_A     K    49_A     11   19   28     12   33   45   60   73   78   86   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     V    50_A     V    50_A     11   19   28     11   26   45   60   73   78   86   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     I    51_A     I    51_A     11   19   28      9   25   41   57   73   78   86   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     N    52_A     N    52_A     11   19   28      5   21   35   49   64   78   86   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     E    53_A     E    53_A     10   17   28      4    7   18   26   51   67   79   87   99  107  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     Y    54_A     Y    54_A      4   11   28      4    4    9   23   39   47   74   82   86   91  104  110  113  116  118  121  124  126  131  132 
LCS_GDT     D    55_A     D    55_A      4   11   28      4    4    8   12   20   29   43   55   70   80   91  100  105  108  117  121  124  126  131  132 
LCS_GDT     F    56_A     F    56_A     10   11   28      9   10   10   10   12   14   21   31   42   52   60   73   86  100  103  110  120  126  131  132 
LCS_GDT     N    57_A     N    57_A     10   11   26      9   10   10   11   12   14   17   22   24   31   36   45   63   68   79   83  102  107  119  124 
LCS_GDT     E    58_A     E    58_A     10   11   23      9   10   10   11   12   14   15   15   18   22   25   33   39   48   54   72   78   96  114  116 
LCS_GDT     L    59_A     L    59_A     10   11   23      9   10   10   11   12   14   17   22   24   28   36   42   48   58   71   83   98  107  114  118 
LCS_GDT     E    60_A     E    60_A     10   11   23      9   10   10   11   12   14   15   17   23   28   36   39   43   47   50   59   64   72   86   96 
LCS_GDT     T    61_A     T    61_A     10   11   26      9   10   10   11   12   14   15   18   21   25   32   36   42   47   50   53   57   64   67   76 
LCS_GDT     Y    62_A     Y    62_A     10   11   26      9   10   10   11   12   14   15   17   19   21   25   31   36   42   44   46   51   57   65   68 
LCS_GDT     M    63_A     M    63_A     10   11   26      9   10   10   11   12   14   15   15   18   22   23   27   29   36   41   46   51   56   60   66 
LCS_GDT     D    64_A     D    64_A     10   11   26      9   10   10   11   12   14   15   15   18   22   23   26   29   36   37   44   48   53   59   62 
LCS_GDT     S    65_A     S    65_A     10   11   26      6   10   10   11   12   14   17   17   19   22   23   24   25   27   33   38   45   50   56   59 
LCS_GDT     L    66_A     L    66_A      4   11   26      3    3    8   10   11   13   17   17   19   22   23   24   24   29   33   40   45   50   56   59 
LCS_GDT     T    67_A     T    67_A      5   10   26      3    4    8   10   11   13   17   17   19   20   22   23   24   28   33   38   45   50   56   59 
LCS_GDT     I    68_A     I    68_A      5   10   26      3    4    8   10   11   13   17   17   19   20   23   26   29   32   33   40   45   50   56   59 
LCS_GDT     P    69_A     P    69_A      5   10   26      4    4    8   10   11   13   17   17   19   20   22   25   29   32   33   35   41   48   54   58 
LCS_GDT     Q    70_A     Q    70_A      5   10   26      4    4    7   10   11   13   17   17   19   20   22   25   29   32   33   35   39   45   49   55 
LCS_GDT     D    71_A     D    71_A      5   10   26      4    4    8   10   11   13   17   17   19   20   22   24   29   32   33   35   37   41   44   44 
LCS_GDT     Q    72_A     Q    72_A      5   10   26      4    4    8   10   11   13   17   17   19   20   22   24   28   32   33   35   37   41   44   50 
LCS_GDT     N    73_A     N    73_A      4   10   26      3    5    6    7   10   13   17   17   19   20   22   25   29   32   33   35   37   41   49   53 
LCS_GDT     V    74_A     V    74_A      4   10   26      3    4    5    8   11   13   17   17   19   20   22   25   29   32   33   35   39   45   53   58 
LCS_GDT     Y    75_A     Y    75_A      4    7   26      3    4    5    7    8   10   17   17   19   20   22   24   29   32   33   35   39   45   54   58 
LCS_GDT     V    76_A     V    76_A      4    7   26      3    4    5    7    8   12   17   17   19   20   22   24   26   29   33   35   39   48   54   58 
LCS_GDT     A    77_A     A    77_A      4    7   26      3    4    6    7    8   10   17   17   19   20   22   23   24   26   31   35   44   48   54   58 
LCS_GDT     S    78_A     S    78_A      4    7   26      3    4    5    7    8   10   17   17   19   20   22   24   30   36   40   44   47   58   64   68 
LCS_GDT     V    79_A     V    79_A      4    7   26      3    4    7   10   10   13   17   17   19   21   24   27   29   36   37   41   45   58   61   65 
LCS_GDT     T    80_A     T    80_A      4    7   26      3    4    8   10   11   13   17   17   19   21   24   27   29   32   33   40   43   50   75   84 
LCS_GDT     E    81_A     E    81_A      3    7   26      3    3    8   10   11   13   17   17   19   20   22   25   29   32   33   36   47   51   54   61 
LCS_GDT     M    82_A     M    82_A      4    6   26      3    4    4    5    9   11   12   15   19   20   22   27   44   50   56   81   96  105  114  118 
LCS_GDT     E    83_A     E    83_A      4    6   26      3    4    4    5    8   10   12   15   18   20   25   34   44   50   56   61   67   82  113  117 
LCS_GDT     N    84_A     N    84_A      4    7   26      3    4    4    6    6    9   11   13   16   19   21   21   44   50   56   61   67   73  102  117 
LCS_GDT     T    85_A     T    85_A      5    7  107      5    5    6    7    8   10   12   14   19   20   25   34   44   50   70   98  109  112  118  122 
LCS_GDT     I    86_A     I    86_A      5    7  110      5    5    6    6    6    9   11   15   17   27   56   79   88  100  111  118  121  126  131  132 
LCS_GDT     I    87_A     I    87_A      5    8  110      5    5   11   19   24   31   39   59   79   90   99  102  107  116  118  121  124  126  131  132 
LCS_GDT     K    88_A     K    88_A      7   11  110      6    7    9   11   13   18   24   48   63   84   91  100  105  107  115  121  124  126  131  132 
LCS_GDT     N    89_A     N    89_A      7   11  110      6    7    9   31   59   69   79   84   93   97  101  107  111  116  118  121  124  126  131  132 
LCS_GDT     Q    90_A     Q    90_A      7   11  110      6    7    9   10   11   13   15   34   65   72   95  100  106  112  117  121  124  126  131  132 
LCS_GDT     L    91_A     L    91_A      7   11  110      6    7    9   10   11   13   15   17   23   28   36   74   78   98  103  113  121  126  131  132 
LCS_GDT     Q    92_A     Q    92_A      7   11  110      6    7    9   10   11   16   46   69   87   96  101  107  111  116  118  121  124  126  131  132 
LCS_GDT     E    93_A     E    93_A      7   11  110      6    7    9   10   11   13   63   70   87   97  104  110  112  116  118  121  124  126  131  132 
LCS_GDT     A    94_A     A    94_A      7   11  110      4    7    9   10   11   13   15   17   20   27   34   81   90   97  106  113  119  125  130  132 
LCS_GDT     F    95_A     F    95_A      5   11  110      3    4    8   10   11   13   15   17   20   22   31   39   42   47  106  113  119  125  127  131 
LCS_GDT     Y    96_A     Y    96_A      5   11  110      3    4    6    7   10   11   15   17   20   22   24   36   90   97  110  113  123  125  130  132 
LCS_GDT     G    97_A     G    97_A      4   11  110      4    4    4   11   23   29   40   50   62   91   98  107  109  114  117  118  123  125  130  132 
LCS_GDT     E    98_A     E    98_A      4   27  110      4   11   20   43   56   71   84   93  101  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     M    99_A     M    99_A      4   28  110      4   10   25   46   64   77   85   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     S   100_A     S   100_A      5   28  110      4    4    7   48   63   77   84   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     I   101_A     I   101_A      5   28  110      5   14   32   49   65   77   84   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     Q   102_A     Q   102_A      5   28  110      5   18   32   49   65   77   84   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     I   103_A     I   103_A      5   28  110      5   13   32   49   65   77   84   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     G   104_A     G   104_A      5   28  110      4   16   35   50   65   77   84   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     Y   105_A     Y   105_A      5   34  110      3    6   19   43   65   77   85   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     C   106_A     C   106_A      5   34  110      3    6   19   49   65   77   85   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     N   107_A     N   107_A      5   34  110      3    6   24   48   64   77   85   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     G   108_A     G   108_A      4   34  110      8   22   39   52   65   77   85   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     P   109_A     P   109_A      3   34  110      3   14   38   52   65   77   86   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     N   110_A     N   110_A      4   34  110      3    4    4   45   63   77   84   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     S   111_A     S   111_A      9   34  110      4   25   41   51   65   77   86   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     T   112_A     T   112_A      9   34  110      3   12   38   50   64   77   85   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     L   113_A     L   113_A      9   34  110      3   21   39   52   65   77   86   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     N   114_A     N   114_A      9   34  110      5   10   16   47   59   77   84   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     G   115_A     G   115_A     23   34  110     11   27   41   57   66   78   86   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     L   116_A     L   116_A     23   34  110     16   33   45   60   73   78   86   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     E   117_A     E   117_A     23   34  110     16   33   45   60   73   78   86   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     Y   118_A     Y   118_A     23   34  110     16   33   45   60   73   78   86   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     H   119_A     H   119_A     23   34  110     16   33   45   60   73   78   86   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     K   120_A     K   120_A     23   34  110     16   33   45   60   73   77   86   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     S   121_A     S   121_A     23   34  110     16   33   45   60   73   78   86   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     S   122_A     S   122_A     23   34  110     16   33   45   60   73   78   86   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     E   123_A     E   123_A     23   34  110     16   33   45   60   73   78   86   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     I   124_A     I   124_A     23   34  110     16   33   45   60   73   78   86   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     N   125_A     N   125_A     23   34  110     10   33   45   60   73   78   86   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     I   126_A     I   126_A     23   34  110      9   33   45   60   73   78   86   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     A   127_A     A   127_A     23   34  110      8   20   45   60   73   78   86   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     I   128_A     I   128_A     23   34  110      8   21   45   60   73   78   86   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     T   129_A     T   129_A     23   34  110      3   14   40   60   73   78   86   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     D   130_A     D   130_A     23   34  110     10   30   45   60   73   78   86   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     M   131_A     M   131_A     23   34  110     10   33   45   60   73   78   86   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     V   132_A     V   132_A     23   34  110     11   33   45   60   73   78   86   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     L   133_A     L   133_A     23   34  110     16   33   45   60   73   78   86   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     L   134_A     L   134_A     23   34  110      8   33   45   60   73   78   86   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     L   135_A     L   135_A     23   34  110      9   33   45   60   73   78   86   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     G   136_A     G   136_A     23   34  110     14   33   45   60   73   78   86   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     K   137_A     K   137_A     23   34  110      8   29   45   60   73   78   86   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     V   138_A     V   138_A     23   34  110      8   19   35   56   73   78   86   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     Q   139_A     Q   139_A      4   34  110      7   20   40   57   72   77   86   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     E   140_A     E   140_A      4   27  110      3    3    6   24   38   54   68   77   90  101  108  111  113  116  118  121  124  126  131  132 
LCS_GDT     V   141_A     V   141_A      4   11  110      3    4   15   23   38   50   69   85   96  101  108  111  113  116  118  121  124  126  131  132 
LCS_GDT     E   142_A     E   142_A      4   13  110      3    4   11   14   20   35   47   69   77   92  104  110  112  115  116  119  123  125  127  130 
LCS_GDT     N   143_A     N   143_A      4   18  110      3    6    7    9   16   27   43   56   78   95  103  110  112  114  115  119  123  125  127  130 
LCS_GDT     N   144_A     N   144_A      9   28  110      3   11   23   38   48   73   85   94  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     V   145_A     V   145_A     10   28  110      4   10   23   38   59   76   86   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     F   146_A     F   146_A     10   28  110      4   10   28   43   66   78   86   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     H   147_A     H   147_A     10   28  110      5   11   20   32   62   76   86   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     S   148_A     S   148_A     10   28  110      4   11   24   50   65   77   86   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     N   149_A     N   149_A     10   28  110      4   11   28   50   65   77   86   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     D   150_A     D   150_A     10   28  110      4   12   32   52   66   78   86   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     V   151_A     V   151_A     10   38  110      8   27   44   59   71   78   86   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     I   152_A     I   152_A     12   39  110     16   33   45   60   73   78   86   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     A   153_A     A   153_A     12   39  110     11   33   45   60   73   78   86   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     F   154_A     F   154_A     12   39  110      8   33   45   60   73   78   86   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     F   155_A     F   155_A     12   39  110      8   33   45   60   73   78   86   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     V   156_A     V   156_A     12   39  110      3   26   45   60   73   78   86   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     P   157_A     P   157_A     12   39  110      3   20   40   54   67   78   86   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     K   158_A     K   158_A     12   39  110      7   26   42   57   71   78   86   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     G   159_A     G   159_A     12   39  110      5   15   31   51   65   77   86   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     T   160_A     T   160_A     12   39  110      8   28   45   60   73   78   86   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     A   161_A     A   161_A     12   39  110     11   26   44   60   73   78   86   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     V   162_A     V   162_A     12   39  110     11   27   45   60   73   78   86   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     E   163_A     E   163_A     12   39  110     12   33   45   60   73   78   86   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     L   164_A     L   164_A     12   39  110     16   33   45   60   73   78   86   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     Y   165_A     Y   165_A     12   39  110     11   33   45   60   73   78   86   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     S   166_A     S   166_A     12   39  110      4   28   45   60   73   78   86   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     T   167_A     T   167_A     12   39  110      4   10   31   52   66   77   86   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     T   168_A     T   168_A     12   39  110      7   24   45   60   73   78   86   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     L   169_A     L   169_A     12   39  110     13   33   45   60   73   78   86   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     H   170_A     H   170_A     12   39  110     14   33   45   60   73   78   86   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     F   171_A     F   171_A     12   39  110      6   26   41   57   66   78   86   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     A   172_A     A   172_A      8   39  110      3   17   41   59   73   78   86   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     P   173_A     P   173_A      8   39  110      3   14   34   58   73   78   86   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     C   174_A     C   174_A     11   39  110      4   16   34   60   73   78   86   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     K   175_A     K   175_A     11   39  110      3   11   29   58   73   78   86   93  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     V   176_A     V   176_A     11   39  110      6   19   43   60   73   78   86   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     N   177_A     N   177_A     11   39  110      6   19   43   60   73   78   86   94  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     N   178_A     N   178_A     11   39  110      3   19   28   56   73   78   86   93  101  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     E   179_A     E   179_A     11   39  110      6   19   35   58   73   78   86   93  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     G   180_A     G   180_A     11   39  110      3   13   24   54   73   77   84   90   95  102  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     F   181_A     F   181_A     11   39  110      3   18   33   57   73   77   85   93  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     K   182_A     K   182_A     11   39  110      8   18   33   58   73   78   86   93  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     T   183_A     T   183_A     11   39  110      8   23   45   60   73   78   86   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     I   184_A     I   184_A     11   39  110      8   21   42   60   73   78   86   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     V   185_A     V   185_A      9   39  110      8   23   45   60   73   78   86   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     I   186_A     I   186_A      9   39  110      8   23   45   60   73   78   86   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     L   187_A     L   187_A      9   39  110      8   33   45   60   73   78   86   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     P   188_A     P   188_A      9   39  110      4   33   45   60   73   78   86   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     K   189_A     K   189_A      9   39  110      3   24   42   60   72   78   86   95  102  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     G   190_A     G   190_A      3   39  110      3    5   30   54   73   77   86   92   99  108  109  111  113  116  118  121  124  126  131  132 
LCS_GDT     T   191_A     T   191_A      3    6  110      3    4    4    6    6    8   10   14   24   83   97  101  109  116  118  121  124  126  131  132 
LCS_GDT     N   192_A     N   192_A      3    6  110      3    4    5    6    6   10   19   21   34   69   91   94  100  106  114  119  124  126  131  132 
LCS_GDT     D   193_A     D   193_A      3    6  110      3    3    4    6    9   31   35   48   69   88   95  103  107  113  115  121  124  126  131  132 
LCS_GDT     P   194_A     P   194_A      4    6  110      3    6    8   11   12   14   14   22   33   40   83   96  100  111  115  118  123  126  131  132 
LCS_GDT     L   195_A     L   195_A      4    6  110      3    4    8   11   12   14   14   15   21   25   45   59   85  101  114  118  121  126  131  132 
LCS_GDT     S   196_A     S   196_A      4    7  108      3    4    8   11   12   14   14   16   18   20   27   35   44   54   67   79   94  106  113  120 
LCS_GDT     T   197_A     T   197_A      5    7  106      3    5    9   10   11   12   15   16   19   21   26   32   37   42   47   59   78   98  109  114 
LCS_GDT     N   198_A     N   198_A      5    7  103      4    5    9   10   11   12   15   16   19   21   27   32   37   42   50   66   87   98  109  114 
LCS_GDT     I   199_A     I   199_A      5    7   16      4    5    5    6    8    9   12   15   20   23   30   35   41   52   67   77   87   97  109  114 
LCS_GDT     Q   200_A     Q   200_A      5    7   16      4    5    5    6    7    8    9   10   14   19   26   32   37   43   50   62   74   89   97  107 
LCS_GDT     K   201_A     K   201_A      5    7   16      4    5    6    8   11   14   18   23   28   36   45   57   68   80   88   97  103  112  115  120 
LCS_GDT     R   202_A     R   202_A      5    7   16      3    5    6    7   10   13   18   20   26   31   38   47   57   67   80   90   98  104  112  117 
LCS_GDT     T   203_A     T   203_A      5    6   16      3    5    6    6    8    9   12   18   24   28   32   40   52   62   70   84   95  104  109  117 
LCS_GDT     K   204_A     K   204_A      5    6   16      3    5    6    6    8   11   11   12   15   21   24   38   45   63   77   83   95  104  109  117 
LCS_GDT     E   205_A     E   205_A      5    6   16      3    5    6    6    8   11   11   12   15   20   24   30   39   51   63   71   86   96  109  113 
LCS_GDT     D   206_A     D   206_A      4    6   16      3    3    4    5    5    9   11   16   18   25   30   33   38   44   58   66   78   90  101  111 
LCS_GDT     E   207_A     E   207_A      4    7   16      3    4    4    5    8   10   13   17   22   26   30   33   40   47   59   69   83   93  102  112 
LCS_GDT     L   208_A     L   208_A      4    7   16      3    4    4    5    7   11   11   12   18   23   27   32   37   43   51   62   74   88   96  107 
LCS_GDT     L   209_A     L   209_A      4    7   16      3    4    4    4    7   11   11   12   14   17   20   23   27   32   37   42   50   55   60   74 
LCS_GDT     F   210_A     F   210_A      4    7   16      3    4    4    5    7   11   11   12   14   17   20   21   27   30   32   36   41   50   56   63 
LCS_GDT     M   211_A     M   211_A      4    7   15      3    4    4    5    7   11   11   12   14   17   20   21   27   30   30   36   37   39   44   50 
LCS_GDT     K   212_A     K   212_A      4    7   15      3    4    4    5    7    7    8    9   10   12   20   21   22   25   30   34   34   35   43   44 
LCS_GDT     N   213_A     N   213_A      4    7   15      3    4    4    5    7    7    8    9   10   12   13   13   15   18   19   22   27   31   41   41 
LCS_GDT     K   214_A     K   214_A      3    8   15      1    3    3    3    6    8    9    9   10   12   13   13   15   19   22   26   32   37   40   50 
LCS_GDT     W   215_A     W   215_A      5    8   15      1    4    6    7    7    8    9    9   10   12   13   13   15   15   17   23   26   30   35   37 
LCS_GDT     L   216_A     L   216_A      5    8   15      3    4    6    7    7    8    9    9   10   12   13   13   15   17   21   25   26   32   35   43 
LCS_GDT     I   217_A     I   217_A      5    8   15      3    4    6    7    7    8    9    9   10   12   15   19   23   29   34   39   45   50   54   62 
LCS_GDT     A   218_A     A   218_A      5    8   15      3    4    6    7    7    8    9    9   11   15   17   24   29   34   38   44   58   59   72   80 
LCS_GDT     H   219_A     H   219_A      5    8   15      3    4    6    7    7    8   10   11   13   17   22   26   29   32   38   46   58   59   67   80 
LCS_GDT     P   220_A     P   220_A      4    8   15      3    3    5    7    7    9   10   10   13   15   20   24   29   31   35   40   47   55   61   67 
LCS_GDT     E   221_A     E   221_A      4    8   15      3    4    6    7    7    9   11   13   16   21   24   27   30   36   43   50   58   60   65   74 
LCS_GDT     R   222_A     R   222_A      4    8   15      3    4    4    4    6    8    9    9   12   14   20   23   29   30   38   41   48   55   59   67 
LCS_GDT     E   223_A     E   223_A      4    5   15      3    4    4    4    4    5    6    9   11   12   16   21   26   30   33   40   43   47   53   59 
LCS_GDT     Q   224_A     Q   224_A      4    5   13      3    4    4    4    5    6    7    8   11   12   15   16   18   21   25   29   31   33   49   51 
LCS_GDT     L   225_A     L   225_A      3    3   10      3    3    3    4    5    6    6    8   11   12   13   16   18   21   25   29   31   33   42   45 
LCS_GDT     I   226_A     I   226_A      3    3   11      3    3    3    4    5    6    6    8   10   11   13   16   17   21   21   26   31   36   41   45 
LCS_GDT     N   227_A     N   227_A      3    5   11      0    3    3    3    5    5    5    8   10   11   13   16   17   21   21   27   32   38   42   45 
LCS_GDT     K   228_A     K   228_A      6    8   11      0    3    6    6    7    8    9    9    9   10   12   16   17   21   21   23   24   33   37   39 
LCS_GDT     G   229_A     G   229_A      6    8   11      4    6    6    6    7    8    9    9    9   10   12   15   16   19   24   27   28   31   36   38 
LCS_GDT     A   230_A     A   230_A      6    8   11      4    6    6    6    7    8    9    9    9   10   12   13   16   16   22   27   28   31   36   38 
LCS_GDT     H   231_A     H   231_A      6    8   13      4    6    6    6    7    8    9    9    9   10   12   13   16   19   20   24   30   32   34   38 
LCS_GDT     P   232_A     P   232_A      6    8   13      4    6    6    6    7    8    9    9    9   10   12   13   16   16   16   17   18   19   21   24 
LCS_GDT     G   233_A     G   233_A      6    8   13      4    6    6    6    7    8    9   10   11   11   12   13   16   16   16   17   18   19   20   24 
LCS_GDT     I   234_A     I   234_A      6    8   13      4    6    6    6    7    8    9   10   11   11   12   13   16   16   16   17   18   19   20   20 
LCS_GDT     K   235_A     K   235_A      4    9   13      4    4    5    8    9    9    9   10   11   11   12   13   16   16   16   17   18   19   20   24 
LCS_GDT     G   236_A     G   236_A      4    9   13      4    4    7    8    9    9    9   10   11   11   12   12   16   16   16   16   18   19   20   24 
LCS_GDT     E   237_A     E   237_A      4    9   13      3    4    7    8    9    9    9   10   11   11   11   12   12   13   13   15   15   15   16   19 
LCS_GDT     N   238_A     N   238_A      5    9   13      3    4    7    8    9    9    9   10   11   11   11   12   12   13   13   15   15   15   15   15 
LCS_GDT     I   239_A     I   239_A      5    9   13      3    4    6    8    9    9    9   10   11   11   11   12   12   13   13   15   15   15   15   15 
LCS_GDT     K   240_A     K   240_A      5    9   13      3    4    7    8    9    9    9   10   11   11   11   12   12   13   13   15   15   15   15   15 
LCS_GDT     V   241_A     V   241_A      5    9   13      3    4    7    8    9    9    9   10   11   11   11   12   12   13   13   15   15   15   15   15 
LCS_GDT     Y   242_A     Y   242_A      5    9   13      3    4    7    8    9    9    9   10   11   11   11   12   12   13   13   15   15   15   15   15 
LCS_GDT     Q   243_A     Q   243_A      5    9   13      3    4    7    8    9    9    9   10   11   11   11   12   12   13   13   15   15   15   15   15 
LCS_AVERAGE  LCS_A:  14.35  (   3.86    9.11   30.06 )

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     16     33     45     60     73     78     86     95    102    108    109    111    113    116    118    121    124    126    131    132 
GDT PERCENT_AT   7.21  14.86  20.27  27.03  32.88  35.14  38.74  42.79  45.95  48.65  49.10  50.00  50.90  52.25  53.15  54.50  55.86  56.76  59.01  59.46
GDT RMS_LOCAL    0.31   0.64   0.93   1.27   1.61   1.77   2.07   2.32   2.54   2.74   2.78   2.91   3.03   3.28   3.42   3.71   4.01   4.14   4.62   4.70
GDT RMS_ALL_AT  25.28  25.37  25.44  25.42  25.54  25.56  25.59  25.69  25.67  25.66  25.68  25.72  25.71  25.62  25.64  25.55  25.50  25.54  25.42  25.44

# Checking swapping
#   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:  E    53_A      E    53_A
#   possible swapping detected:  Y    54_A      Y    54_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    81_A      E    81_A
#   possible swapping detected:  E    83_A      E    83_A
#   possible swapping detected:  Y   105_A      Y   105_A
#   possible swapping detected:  E   123_A      E   123_A
#   possible swapping detected:  E   140_A      E   140_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:  E   207_A      E   207_A
#   possible swapping detected:  F   210_A      F   210_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    25.497     0    0.320   0.320    28.009    0.000    0.000
LGA    S    23_A      S    23_A    20.689     0    0.602   0.676    22.797    0.000    0.000
LGA    F    24_A      F    24_A    13.733     0    0.412   1.333    16.098    0.000    0.087
LGA    Q    25_A      Q    25_A    14.164     0    0.625   1.088    14.410    0.000    0.000
LGA    Y    26_A      Y    26_A    15.880     0    0.178   0.784    17.411    0.000    0.000
LGA    M    27_A      M    27_A    13.895     0    0.259   0.668    16.095    0.000    0.000
LGA    K    28_A      K    28_A    12.384     0    0.499   1.090    13.157    0.000    0.000
LGA    D    29_A      D    29_A    12.035     0    0.062   1.046    12.244    0.000    0.000
LGA    L    30_A      L    30_A     9.835     0    0.139   1.302    11.591    1.190    1.190
LGA    N    31_A      N    31_A     8.414     0    0.643   1.257     9.760    8.690    5.298
LGA    K    32_A      K    32_A     8.982     0    0.406   1.815    14.066    4.762    2.169
LGA    H    33_A      H    33_A     2.918     0    0.186   0.373     6.613   47.262   42.143
LGA    I    34_A      I    34_A     3.412     0    0.316   0.850     5.063   40.833   44.048
LGA    P    35_A      P    35_A     5.289     0    0.085   0.172     5.923   36.190   32.109
LGA    F    36_A      F    36_A     4.269     0    0.040   1.192     5.238   31.667   36.320
LGA    Y    37_A      Y    37_A     3.009     0    0.033   1.367     9.256   61.548   35.317
LGA    H    38_A      H    38_A     1.997     0    0.032   1.174     7.326   68.810   48.190
LGA    I    39_A      I    39_A     1.597     0    0.650   1.018     5.034   65.476   63.393
LGA    E    40_A      E    40_A     1.579     0    0.176   0.935     5.765   79.405   51.217
LGA    D    41_A      D    41_A     4.241     0    0.488   0.847     7.315   52.143   31.905
LGA    S    42_A      S    42_A     0.196     0    0.089   0.587     1.603   86.190   89.206
LGA    K    43_A      K    43_A     1.673     0    0.037   0.783     5.895   77.143   60.582
LGA    F    44_A      F    44_A     0.527     0    0.088   0.356     2.371   88.214   79.394
LGA    K    45_A      K    45_A     1.198     2    0.065   0.942     5.830   83.690   51.799
LGA    H    46_A      H    46_A     1.206     0    0.026   1.039     3.460   81.429   72.571
LGA    Y    47_A      Y    47_A     0.920     0    0.039   0.220     1.153   88.214   89.722
LGA    G    48_A      G    48_A     0.977     0    0.030   0.030     0.977   90.476   90.476
LGA    K    49_A      K    49_A     1.011     4    0.049   0.057     1.499   83.690   47.249
LGA    V    50_A      V    50_A     1.527     0    0.057   0.377     2.068   75.000   72.925
LGA    I    51_A      I    51_A     1.689     0    0.035   0.040     2.239   68.810   72.976
LGA    N    52_A      N    52_A     2.805     0    0.752   1.207     4.482   52.262   48.690
LGA    E    53_A      E    53_A     5.177     0    0.349   0.399     8.459   18.929   17.513
LGA    Y    54_A      Y    54_A     8.229     0    0.081   1.454     8.729    8.690   15.833
LGA    D    55_A      D    55_A    12.111     0    0.210   0.842    17.100    0.000    0.000
LGA    F    56_A      F    56_A    15.848     0    0.253   0.873    19.755    0.000    0.000
LGA    N    57_A      N    57_A    21.954     0    0.041   0.895    25.265    0.000    0.000
LGA    E    58_A      E    58_A    23.792     0    0.047   1.348    25.725    0.000    0.000
LGA    L    59_A      L    59_A    21.753     0    0.053   1.388    25.078    0.000    0.000
LGA    E    60_A      E    60_A    25.788     0    0.022   1.605    30.223    0.000    0.000
LGA    T    61_A      T    61_A    31.139     0    0.050   0.125    34.260    0.000    0.000
LGA    Y    62_A      Y    62_A    31.038     0    0.017   1.290    33.487    0.000    0.000
LGA    M    63_A      M    63_A    30.967     0    0.127   1.302    34.846    0.000    0.000
LGA    D    64_A      D    64_A    36.878     0    0.235   0.886    41.131    0.000    0.000
LGA    S    65_A      S    65_A    39.755     0    0.529   0.770    43.542    0.000    0.000
LGA    L    66_A      L    66_A    41.649     0    0.197   0.320    43.384    0.000    0.000
LGA    T    67_A      T    67_A    47.114     0    0.144   1.194    51.599    0.000    0.000
LGA    I    68_A      I    68_A    46.454     0    0.123   0.241    50.059    0.000    0.000
LGA    P    69_A      P    69_A    48.866     0    0.202   0.278    50.178    0.000    0.000
LGA    Q    70_A      Q    70_A    54.002     0    0.061   1.012    56.356    0.000    0.000
LGA    D    71_A      D    71_A    56.631     3    0.023   0.041    57.921    0.000    0.000
LGA    Q    72_A      Q    72_A    51.287     3    0.677   0.780    52.803    0.000    0.000
LGA    N    73_A      N    73_A    46.878     0    0.510   0.578    48.430    0.000    0.000
LGA    V    74_A      V    74_A    43.392     0    0.110   1.126    45.714    0.000    0.000
LGA    Y    75_A      Y    75_A    37.314     0    0.024   1.241    39.579    0.000    0.000
LGA    V    76_A      V    76_A    36.149     0    0.055   0.077    40.031    0.000    0.000
LGA    A    77_A      A    77_A    30.395     0    0.597   0.593    32.876    0.000    0.000
LGA    S    78_A      S    78_A    27.208     0    0.099   0.562    28.578    0.000    0.000
LGA    V    79_A      V    79_A    25.326     0    0.643   1.390    25.455    0.000    0.000
LGA    T    80_A      T    80_A    23.703     0    0.618   0.610    24.467    0.000    0.000
LGA    E    81_A      E    81_A    24.577     0    0.665   1.016    31.206    0.000    0.000
LGA    M    82_A      M    82_A    18.829     0    0.679   1.198    20.849    0.000    0.000
LGA    E    83_A      E    83_A    19.094     0    0.523   1.019    22.851    0.000    0.000
LGA    N    84_A      N    84_A    20.704     0    0.473   1.180    23.605    0.000    0.000
LGA    T    85_A      T    85_A    19.093     0    0.336   1.125    21.957    0.000    0.000
LGA    I    86_A      I    86_A    14.197     0    0.076   1.378    16.212    0.000    0.000
LGA    I    87_A      I    87_A    11.615     0    0.046   1.277    14.314    0.000    0.060
LGA    K    88_A      K    88_A    13.859     0    0.522   1.336    18.397    0.000    0.000
LGA    N    89_A      N    89_A     9.901     0    0.113   0.363    11.311    0.476    1.310
LGA    Q    90_A      Q    90_A    12.317     0    0.043   1.431    18.656    0.000    0.000
LGA    L    91_A      L    91_A    14.103     0    0.025   0.109    18.427    0.000    0.000
LGA    Q    92_A      Q    92_A     9.886     0    0.080   0.809    11.296    1.190    2.063
LGA    E    93_A      E    93_A     9.206     0    0.081   0.165    11.112    0.714    2.963
LGA    A    94_A      A    94_A    13.936     0    0.145   0.161    15.325    0.000    0.000
LGA    F    95_A      F    95_A    15.138     0    0.044   1.324    16.759    0.000    0.000
LGA    Y    96_A      Y    96_A    12.350     0    0.591   0.947    18.494    0.357    0.119
LGA    G    97_A      G    97_A    10.109     0    0.276   0.276    10.757    2.976    2.976
LGA    E    98_A      E    98_A     4.960     0    0.423   0.776     6.543   36.310   35.503
LGA    M    99_A      M    99_A     3.756     0    0.047   1.114     8.333   43.452   27.143
LGA    S   100_A      S   100_A     3.568     0    0.291   0.453     6.965   46.667   37.698
LGA    I   101_A      I   101_A     3.422     0    0.186   1.328     6.231   50.000   50.833
LGA    Q   102_A      Q   102_A     3.188     0    0.072   1.279     6.116   48.333   40.952
LGA    I   103_A      I   103_A     3.335     0    0.078   0.178     5.172   50.000   42.262
LGA    G   104_A      G   104_A     2.981     0    0.272   0.272     3.338   53.571   53.571
LGA    Y   105_A      Y   105_A     3.122     0    0.217   1.042     4.768   53.690   50.992
LGA    C   106_A      C   106_A     2.943     0    0.077   0.868     4.087   48.571   47.937
LGA    N   107_A      N   107_A     3.032     0    0.035   0.309     6.828   63.214   42.738
LGA    G   108_A      G   108_A     1.836     0    0.108   0.108     3.355   69.286   69.286
LGA    P   109_A      P   109_A     2.434     0    0.709   0.577     4.699   79.762   62.517
LGA    N   110_A      N   110_A     3.640     0    0.178   1.164     8.488   39.524   25.893
LGA    S   111_A      S   111_A     2.095     0    0.404   0.648     4.843   64.762   59.206
LGA    T   112_A      T   112_A     2.854     0    0.172   1.003     4.138   53.690   50.340
LGA    L   113_A      L   113_A     2.040     0    0.240   0.251     4.124   55.952   62.857
LGA    N   114_A      N   114_A     3.512     0    0.215   1.309     6.676   55.595   42.083
LGA    G   115_A      G   115_A     1.544     0    0.094   0.094     2.062   75.119   75.119
LGA    L   116_A      L   116_A     0.823     0    0.162   1.228     3.001   88.214   82.143
LGA    E   117_A      E   117_A     0.696     0    0.039   0.550     1.565   90.476   87.513
LGA    Y   118_A      Y   118_A     0.789     0    0.046   0.554     2.952   90.476   83.294
LGA    H   119_A      H   119_A     0.798     0    0.173   0.224     0.874   92.857   94.286
LGA    K   120_A      K   120_A     1.758     0    0.285   1.332     4.666   68.929   64.021
LGA    S   121_A      S   121_A     0.982     0    0.083   0.661     1.259   88.214   85.952
LGA    S   122_A      S   122_A     0.999     0    0.107   0.685     1.673   88.214   84.524
LGA    E   123_A      E   123_A     0.613     0    0.062   0.582     2.097   88.214   81.746
LGA    I   124_A      I   124_A     0.895     0    0.033   1.261     4.090   88.214   80.476
LGA    N   125_A      N   125_A     1.045     0    0.525   1.162     3.989   72.024   74.643
LGA    I   126_A      I   126_A     1.745     0    0.195   0.302     3.244   67.262   64.167
LGA    A   127_A      A   127_A     2.835     0    0.168   0.290     3.586   53.810   54.476
LGA    I   128_A      I   128_A     3.677     0    0.108   0.970     4.360   43.452   45.298
LGA    T   129_A      T   129_A     3.982     0    0.794   1.459     6.816   40.357   36.599
LGA    D   130_A      D   130_A     2.975     0    0.247   0.857     3.373   59.167   60.119
LGA    M   131_A      M   131_A     2.085     0    0.158   0.808     3.928   70.952   62.500
LGA    V   132_A      V   132_A     1.811     0    0.037   0.167     3.039   68.810   64.966
LGA    L   133_A      L   133_A     0.949     0    0.086   0.327     1.080   85.952   89.405
LGA    L   134_A      L   134_A     1.155     0    0.032   0.335     2.871   83.690   75.357
LGA    L   135_A      L   135_A     0.340     0    0.031   1.252     3.097   97.619   82.798
LGA    G   136_A      G   136_A     0.387     0    0.114   0.114     0.919   95.238   95.238
LGA    K   137_A      K   137_A     1.285     0    0.073   0.601     3.571   85.952   70.212
LGA    V   138_A      V   138_A     2.131     0    0.681   0.617     4.498   67.024   57.891
LGA    Q   139_A      Q   139_A     2.905     0    0.351   0.686     9.716   47.143   29.471
LGA    E   140_A      E   140_A     6.848     0    0.564   1.443    10.316   13.095    6.561
LGA    V   141_A      V   141_A     6.689     0    0.094   0.147     7.498   12.619   12.449
LGA    E   142_A      E   142_A     8.816     4    0.087   0.098    11.482    3.333    1.481
LGA    N   143_A      N   143_A     8.799     0    0.224   0.382    13.170    5.000    2.500
LGA    N   144_A      N   144_A     5.272     0    0.364   0.994     8.708   23.929   19.821
LGA    V   145_A      V   145_A     4.217     0    0.091   1.198     5.352   41.905   37.483
LGA    F   146_A      F   146_A     3.048     0    0.037   1.097     7.125   50.000   42.294
LGA    H   147_A      H   147_A     3.991     0    0.072   1.014     6.827   48.452   34.143
LGA    S   148_A      S   148_A     2.859     0    0.016   0.774     3.568   59.286   55.079
LGA    N   149_A      N   149_A     2.783     0    0.046   0.805     4.622   60.952   50.655
LGA    D   150_A      D   150_A     2.269     0    0.041   1.214     4.796   68.810   57.143
LGA    V   151_A      V   151_A     0.575     0    0.105   0.223     1.406   90.595   87.959
LGA    I   152_A      I   152_A     1.023     0    0.061   1.059     3.445   88.214   78.750
LGA    A   153_A      A   153_A     1.283     0    0.044   0.176     2.335   79.286   76.381
LGA    F   154_A      F   154_A     1.364     0    0.102   0.226     2.541   81.429   73.074
LGA    F   155_A      F   155_A     1.319     0    0.016   0.178     3.323   81.429   67.403
LGA    V   156_A      V   156_A     1.299     0    0.194   1.331     4.796   77.381   69.524
LGA    P   157_A      P   157_A     2.058     0    0.637   0.578     4.142   59.881   65.510
LGA    K   158_A      K   158_A     2.067     1    0.629   0.770     5.079   68.810   51.058
LGA    G   159_A      G   159_A     3.618     0    0.095   0.095     3.618   48.452   48.452
LGA    T   160_A      T   160_A     1.637     0    0.052   1.038     3.556   72.976   68.707
LGA    A   161_A      A   161_A     1.300     0    0.163   0.199     1.742   79.286   79.714
LGA    V   162_A      V   162_A     1.316     0    0.030   0.087     1.683   83.690   81.497
LGA    E   163_A      E   163_A     0.878     0    0.087   0.865     2.602   85.952   82.751
LGA    L   164_A      L   164_A     0.831     0    0.039   1.022     2.624   90.476   79.762
LGA    Y   165_A      Y   165_A     0.693     0    0.065   1.169     8.173   90.476   56.190
LGA    S   166_A      S   166_A     0.988     0    0.398   0.612     1.957   86.071   84.524
LGA    T   167_A      T   167_A     2.686     0    0.075   1.181     5.825   62.976   55.646
LGA    T   168_A      T   168_A     1.444     0    0.078   0.904     2.424   85.952   79.184
LGA    L   169_A      L   169_A     0.563     0    0.025   0.978     3.597   92.857   84.762
LGA    H   170_A      H   170_A     0.542     0    0.039   0.098     0.678   92.857   94.286
LGA    F   171_A      F   171_A     1.455     0    0.172   0.470     4.711   85.952   58.658
LGA    A   172_A      A   172_A     2.423     0    0.054   0.053     3.017   67.024   63.619
LGA    P   173_A      P   173_A     4.073     0    0.100   0.214     5.029   40.357   36.599
LGA    C   174_A      C   174_A     4.603     0    0.061   0.818     4.691   34.286   34.286
LGA    K   175_A      K   175_A     5.300     0    0.068   1.208    10.878   25.000   15.238
LGA    V   176_A      V   176_A     4.544     0    0.049   0.113     5.434   30.119   35.782
LGA    N   177_A      N   177_A     5.073     0    0.734   0.829     5.165   27.500   29.524
LGA    N   178_A      N   178_A     6.127     0    0.131   0.811     9.302   17.262   12.143
LGA    E   179_A      E   179_A     5.764     4    0.619   0.565     5.805   22.619   12.434
LGA    G   180_A      G   180_A     7.385     0    0.248   0.248     7.385   10.833   10.833
LGA    F   181_A      F   181_A     5.553     0    0.105   1.127    10.094   22.738   14.632
LGA    K   182_A      K   182_A     5.241     0    0.054   0.822     6.095   28.810   28.942
LGA    T   183_A      T   183_A     3.597     0    0.022   1.052     4.663   40.238   43.878
LGA    I   184_A      I   184_A     3.701     0    0.738   0.823     5.719   37.976   40.655
LGA    V   185_A      V   185_A     3.090     0    0.092   0.173     3.791   48.333   49.048
LGA    I   186_A      I   186_A     2.830     0    0.076   0.616     3.530   60.952   55.536
LGA    L   187_A      L   187_A     1.810     0    0.023   1.321     3.922   68.810   66.131
LGA    P   188_A      P   188_A     2.032     0    0.068   0.151     2.403   66.786   68.231
LGA    K   189_A      K   189_A     3.349     2    0.103   0.759     4.271   46.905   36.878
LGA    G   190_A      G   190_A     6.495     0    0.704   0.704     6.631   19.524   19.524
LGA    T   191_A      T   191_A     8.952     0    0.149   0.939    12.456    1.905    1.088
LGA    N   192_A      N   192_A    11.407     0    0.726   0.643    15.766    0.000    0.000
LGA    D   193_A      D   193_A    10.552     0    0.175   1.072    14.590    0.000    0.000
LGA    P   194_A      P   194_A    10.808     0    0.544   0.477    12.195    0.000    0.000
LGA    L   195_A      L   195_A     9.898     0    0.173   1.479    11.569    0.476    1.845
LGA    S   196_A      S   196_A    15.369     0    0.694   0.834    18.491    0.000    0.000
LGA    T   197_A      T   197_A    16.997     0    0.096   1.101    18.954    0.000    0.000
LGA    N   198_A      N   198_A    18.167     0    0.187   1.004    21.347    0.000    0.000
LGA    I   199_A      I   199_A    20.245     0    0.082   1.072    21.404    0.000    0.000
LGA    Q   200_A      Q   200_A    23.604     4    0.044   0.096    26.408    0.000    0.000
LGA    K   201_A      K   201_A    19.757     0    0.506   1.324    22.489    0.000    0.000
LGA    R   202_A      R   202_A    22.599     0    0.088   0.822    29.149    0.000    0.000
LGA    T   203_A      T   203_A    22.569     0    0.133   0.251    23.546    0.000    0.000
LGA    K   204_A      K   204_A    21.255     0    0.545   0.639    24.327    0.000    0.000
LGA    E   205_A      E   205_A    21.119     0    0.547   1.034    25.168    0.000    0.000
LGA    D   206_A      D   206_A    24.229     0    0.045   0.196    26.725    0.000    0.000
LGA    E   207_A      E   207_A    22.456     0    0.632   1.213    22.498    0.000    0.000
LGA    L   208_A      L   208_A    22.953     0    0.613   0.965    24.085    0.000    0.000
LGA    L   209_A      L   209_A    25.795     0    0.031   1.139    27.857    0.000    0.000
LGA    F   210_A      F   210_A    27.930     0    0.594   1.425    29.419    0.000    0.000
LGA    M   211_A      M   211_A    29.826     0    0.298   0.999    32.628    0.000    0.000
LGA    K   212_A      K   212_A    33.950     0    0.232   1.204    41.375    0.000    0.000
LGA    N   213_A      N   213_A    33.544     0    0.657   1.184    37.043    0.000    0.000
LGA    K   214_A      K   214_A    28.164     0    0.554   1.434    30.461    0.000    0.000
LGA    W   215_A      W   215_A    30.917     0    0.599   1.126    38.009    0.000    0.000
LGA    L   216_A      L   216_A    29.116     0    0.079   0.158    29.950    0.000    0.000
LGA    I   217_A      I   217_A    27.225     0    0.076   1.186    29.719    0.000    0.000
LGA    A   218_A      A   218_A    25.231     0    0.651   0.664    27.532    0.000    0.000
LGA    H   219_A      H   219_A    26.175     0    0.141   1.215    27.576    0.000    0.000
LGA    P   220_A      P   220_A    30.404     0    0.720   0.643    32.438    0.000    0.000
LGA    E   221_A      E   221_A    30.301     0    0.705   0.988    32.470    0.000    0.000
LGA    R   222_A      R   222_A    33.590     0    0.280   1.257    36.027    0.000    0.000
LGA    E   223_A      E   223_A    39.694     0    0.671   1.095    42.322    0.000    0.000
LGA    Q   224_A      Q   224_A    42.609     4    0.620   0.571    44.417    0.000    0.000
LGA    L   225_A      L   225_A    43.727     0    0.629   1.055    46.803    0.000    0.000
LGA    I   226_A      I   226_A    50.037     0    0.624   0.539    53.623    0.000    0.000
LGA    N   227_A      N   227_A    54.299     0    0.654   1.249    56.810    0.000    0.000
LGA    K   228_A      K   228_A    57.008     0    0.628   0.984    58.108    0.000    0.000
LGA    G   229_A      G   229_A    60.178     0    0.664   0.664    60.178    0.000    0.000
LGA    A   230_A      A   230_A    59.195     0    0.107   0.110    61.542    0.000    0.000
LGA    H   231_A      H   231_A    61.489     0    0.038   0.186    63.657    0.000    0.000
LGA    P   232_A      P   232_A    64.220     0    0.170   0.364    65.739    0.000    0.000
LGA    G   233_A      G   233_A    64.877     0    0.686   0.686    64.877    0.000    0.000
LGA    I   234_A      I   234_A    65.048     0    0.090   1.029    67.141    0.000    0.000
LGA    K   235_A      K   235_A    67.216     0    0.140   1.350    68.728    0.000    0.000
LGA    G   236_A      G   236_A    69.446     0    0.132   0.132    70.387    0.000    0.000
LGA    E   237_A      E   237_A    71.143     4    0.048   0.060    71.763    0.000    0.000
LGA    N   238_A      N   238_A    73.717     0    0.223   0.627    77.059    0.000    0.000
LGA    I   239_A      I   239_A    72.647     0    0.092   1.057    73.582    0.000    0.000
LGA    K   240_A      K   240_A    75.036     0    0.069   0.604    81.978    0.000    0.000
LGA    V   241_A      V   241_A    73.332     0    0.143   0.183    75.156    0.000    0.000
LGA    Y   242_A      Y   242_A    75.202     0    0.062   1.156    85.047    0.000    0.000
LGA    Q   243_A      Q   243_A    75.525     0    0.043   1.276    81.766    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):    20.760         20.743                 20.822           31.563   28.451

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  243  222    4.0     95    2.32    34.797    30.235     3.921

LGA_LOCAL      RMSD:   2.323  Number of atoms:   95  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  25.688  Number of assigned atoms:  222 
Std_ASGN_ATOMS RMSD:  20.760  Standard rmsd on all 222 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.250935 * X  +   0.716195 * Y  +  -0.651227 * Z  +  -5.797809
  Y_new =  -0.727056 * X  +   0.583599 * Y  +   0.361666 * Z  +  41.087036
  Z_new =   0.639079 * X  +   0.382724 * Y  +   0.667159 * Z  +  26.383619 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.238459 -0.693300  0.520828   [DEG:  -70.9585  -39.7231   29.8412 ]
ZXZ: -2.077746  0.840408  1.031210   [DEG: -119.0461   48.1518   59.0840 ]
 
# END of job
