
#######################################################
#                                                     #
#                        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:   106      90_A - 195_A       4.84    22.70
  LONGEST_CONTINUOUS_SEGMENT:   106      91_A - 196_A       4.77    22.73
  LONGEST_CONTINUOUS_SEGMENT:   106      92_A - 197_A       4.88    22.70
  LCS_AVERAGE:     29.08

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    37     152_A - 188_A       2.00    22.87
  LCS_AVERAGE:      9.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    23     115_A - 137_A       0.97    22.43
  LONGEST_CONTINUOUS_SEGMENT:    23     116_A - 138_A       0.98    22.40
  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   18      0    3    3    3    6    7    8   11   12   17   21   30   36   45   52   53   71   78   85  105 
LCS_GDT     S    23_A     S    23_A      3    4   18      0    3    3    4    6    7    8    9   12   17   21   30   58   63   67   80   86  111  122  131 
LCS_GDT     F    24_A     F    24_A      3    4   18      0    3    3    4    6    7   11   29   40   50   55   61  106  112  119  124  126  129  132  133 
LCS_GDT     Q    25_A     Q    25_A      4    9   18      3    3    4    5    7   10   14   19   22   25   32   37   55   60   65   94  103  115  120  123 
LCS_GDT     Y    26_A     Y    26_A      4    9   18      3    4    4    6    8   10   11   14   15   22   23   26   27   41   52   55   59   77   94  117 
LCS_GDT     M    27_A     M    27_A      5    9   32      3    4    6    7    8   10   11   14   15   22   23   34   37   45   52   72  107  117  123  131 
LCS_GDT     K    28_A     K    28_A      6    9   33      3    4    6    7    8   11   14   21   23   25   32   48   79  103  111  120  124  127  132  133 
LCS_GDT     D    29_A     D    29_A      6    9   33      3    4    6    7    8   11   14   21   23   26   32   62   73   98  111  120  124  127  132  133 
LCS_GDT     L    30_A     L    30_A      6    9   33      4    4    6    7    8   10   14   21   23   50   55   94  109  115  119  124  126  129  132  133 
LCS_GDT     N    31_A     N    31_A      6    9   33      4    4    6    8   18   29   53   72   85  101  109  113  116  117  119  124  126  129  132  133 
LCS_GDT     K    32_A     K    32_A      6    9   33      4    4    6    7    8   23   29   34   65   81   98  106  113  117  119  123  125  129  132  133 
LCS_GDT     H    33_A     H    33_A      6    9   33      4    4   11   31   52   67   82   93  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     I    34_A     I    34_A      6   18   33      4   19   44   59   70   78   86   93  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     P    35_A     P    35_A      6   18   33      3   11   22   54   70   78   83   90  102  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     F    36_A     F    36_A      6   18   33      4   11   30   59   70   78   86   93  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     Y    37_A     Y    37_A      6   18   33      4   19   42   59   70   78   86   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     H    38_A     H    38_A      6   18   33      4   19   44   59   70   78   86   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     I    39_A     I    39_A      6   18   33      6   19   44   59   70   78   86   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     E    40_A     E    40_A      6   18   33      8   26   44   59   70   78   86   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     D    41_A     D    41_A      5   18   33      3    4   19   41   56   73   83   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     S    42_A     S    42_A     10   18   33     15   34   44   59   70   78   86   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     K    43_A     K    43_A     10   18   33      4   34   44   59   70   78   86   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     F    44_A     F    44_A     10   18   33     15   34   44   59   70   78   86   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     K    45_A     K    45_A     10   18   33     15   34   44   59   70   78   86   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     H    46_A     H    46_A     10   18   33     15   34   44   59   70   78   86   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     Y    47_A     Y    47_A     10   18   33     15   34   44   59   70   78   86   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     G    48_A     G    48_A     10   18   33     15   34   44   59   70   78   86   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     K    49_A     K    49_A     10   18   33     14   34   44   59   70   78   86   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     V    50_A     V    50_A     10   18   33     10   27   44   59   70   78   86   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     I    51_A     I    51_A     10   18   33      8   22   42   55   70   78   86   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     N    52_A     N    52_A     10   17   33      7   21   32   50   64   76   85   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     E    53_A     E    53_A      9   15   33      3    7   16   21   47   62   77   87   98  104  110  113  116  117  119  123  125  127  131  133 
LCS_GDT     Y    54_A     Y    54_A      7   14   33      3    7   16   30   50   69   81   88  101  107  110  113  116  117  119  123  125  127  131  133 
LCS_GDT     D    55_A     D    55_A      4   14   33      3    4    8   38   60   74   85   93  102  107  110  113  116  117  119  123  126  129  132  133 
LCS_GDT     F    56_A     F    56_A     11   15   33      6   10   11   17   68   77   83   91  100  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     N    57_A     N    57_A     11   15   33      6   10   18   29   57   75   82   89   95  103  110  113  115  116  119  124  126  129  132  133 
LCS_GDT     E    58_A     E    58_A     11   15   33      6   10   11   12   21   52   68   75   87   94  101  105  113  115  119  121  125  127  132  133 
LCS_GDT     L    59_A     L    59_A     11   15   33      6   10   11   12   14   18   31   39   58   68   82   93   99  107  109  117  123  126  132  133 
LCS_GDT     E    60_A     E    60_A     11   15   33      6   10   11   12   13   16   21   34   45   59   72   92   97  104  109  115  121  126  132  133 
LCS_GDT     T    61_A     T    61_A     11   15   32      6   10   11   12   14   17   26   34   45   59   72   81   97  102  108  113  118  126  132  133 
LCS_GDT     Y    62_A     Y    62_A     11   15   30      6   10   11   12   13   14   20   29   37   39   46   56   63   76   87   98  105  109  116  126 
LCS_GDT     M    63_A     M    63_A     11   15   28      6   10   11   12   13   14   16   18   20   25   28   34   43   53   59   69   78   90  100  110 
LCS_GDT     D    64_A     D    64_A     11   15   28      6   10   11   12   13   14   16   18   20   21   24   27   33   37   48   58   60   65   74   84 
LCS_GDT     S    65_A     S    65_A     11   15   28      6   10   11   12   13   14   16   18   20   21   25   30   38   48   54   60   65   71   82   88 
LCS_GDT     L    66_A     L    66_A     11   15   28      3    8   11   12   13   14   16   18   20   21   24   25   28   30   34   38   46   52   58   62 
LCS_GDT     T    67_A     T    67_A     10   15   28      3    7   10   12   13   14   16   18   20   21   24   25   28   30   31   33   37   40   41   43 
LCS_GDT     I    68_A     I    68_A     10   15   28      3    6   10   11   13   14   16   18   20   21   24   25   26   28   30   32   35   37   39   41 
LCS_GDT     P    69_A     P    69_A      5   15   28      3    3    7    8   12   14   16   18   20   21   24   25   26   28   30   32   33   35   37   41 
LCS_GDT     Q    70_A     Q    70_A      5   15   28      3    4    5    8   12   14   16   18   20   21   24   25   26   28   30   32   33   35   36   38 
LCS_GDT     D    71_A     D    71_A      5   13   28      3    4    5    7   11   14   16   17   20   21   24   25   26   28   30   32   33   35   36   38 
LCS_GDT     Q    72_A     Q    72_A      3    7   28      3    3    4    5    6   12   13   17   20   21   23   25   26   28   30   32   33   35   36   38 
LCS_GDT     N    73_A     N    73_A      6    6   28      3    4    6    6    7    8   10   13   18   21   23   25   26   28   29   32   33   35   36   37 
LCS_GDT     V    74_A     V    74_A      6    6   28      3    5    6    6    7    9   12   17   20   21   24   25   26   28   30   32   33   35   36   38 
LCS_GDT     Y    75_A     Y    75_A      6    6   28      3    5    6    6    7    8   10   15   19   21   24   25   26   28   30   32   33   35   39   41 
LCS_GDT     V    76_A     V    76_A      6    6   28      3    5    6    6    7    8   10   12   14   16   20   23   28   30   31   35   38   42   46   50 
LCS_GDT     A    77_A     A    77_A      6    6   25      4    5    6    6    6    8   10   12   16   17   24   25   29   33   40   48   52   65   70   74 
LCS_GDT     S    78_A     S    78_A      6    6   25      4    5    6    6    7    8   11   14   16   21   30   34   41   47   50   52   65   72   86   97 
LCS_GDT     V    79_A     V    79_A      4    6   25      4    4    5    6    7    9   10   13   16   17   20   25   27   28   34   42   48   54   62   86 
LCS_GDT     T    80_A     T    80_A      4    6   25      4    4    4    5    7    9   10   13   15   17   20   23   25   27   28   31   42   45   47   86 
LCS_GDT     E    81_A     E    81_A      3    6   25      3    3    4    5    7    8   10   12   16   17   20   23   25   27   28   31   32   34   48   67 
LCS_GDT     M    82_A     M    82_A      3    6   25      3    3    4    4    7    9   12   13   16   21   25   29   37   42   48   94  101  106  108  117 
LCS_GDT     E    83_A     E    83_A      3    6   25      3    3    4    8   10   11   12   13   16   21   25   33   37   42   48   94  100  104  114  117 
LCS_GDT     N    84_A     N    84_A      3    6   25      3    4    4    4    8    9   11   13   16   21   26   33   37   42   48   55   61   71   98  104 
LCS_GDT     T    85_A     T    85_A      3    8   25      3    3    5    7   10   11   12   13   16   17   20   23   25   27   39   43   61   71   73   85 
LCS_GDT     I    86_A     I    86_A      3   10   25      3    4    4    5    9   10   12   13   16   20   23   29   30   36   39   43   61   71   73   85 
LCS_GDT     I    87_A     I    87_A      9   10   25      8    8    8    9    9   11   13   16   16   20   23   29   30   36   39   43   50   87   95  103 
LCS_GDT     K    88_A     K    88_A      9   10   25      8    8    8    9   10   11   12   13   16   17   36   45   59   76   92  102  108  115  120  125 
LCS_GDT     N    89_A     N    89_A      9   10  105      8    8    8    9   10   11   13   21   25   34   40   57   72   83  105  107  112  118  124  128 
LCS_GDT     Q    90_A     Q    90_A      9   10  106      8    8    8    9   10   11   12   15   20   30   36   56   70   81   92  102  112  115  121  129 
LCS_GDT     L    91_A     L    91_A      9   10  106      8    8    8    9   10   11   12   13   16   25   46   56   68   86  104  107  119  126  132  133 
LCS_GDT     Q    92_A     Q    92_A      9   10  106      8    8    8    9   11   28   39   60   91   97  100  107  113  116  119  124  126  129  132  133 
LCS_GDT     E    93_A     E    93_A      9   10  106      8    8    8    9   10   11   20   54   74   96  100  107  113  116  119  124  126  129  132  133 
LCS_GDT     A    94_A     A    94_A      9   10  106      8    8    8    9   10   11   12   13   16   21   25   28   74   95  109  120  126  129  130  133 
LCS_GDT     F    95_A     F    95_A      9   10  106      3    4    6    9   10   11   12   13   16   19   25   30   36   63   92  124  126  129  130  133 
LCS_GDT     Y    96_A     Y    96_A      4   10  106      3    3    5    9    9   11   11   13   15   16   52   66   72  114  117  124  126  129  131  133 
LCS_GDT     G    97_A     G    97_A      4    6  106      3    3    4    6    9   28   39   58   81   92  102  107  113  116  119  124  126  129  132  133 
LCS_GDT     E    98_A     E    98_A      4   10  106      3    5   12   21   34   49   70   79   92  100  106  112  113  116  119  124  126  129  132  133 
LCS_GDT     M    99_A     M    99_A      4   28  106      3    9   31   51   63   76   85   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     S   100_A     S   100_A      5   28  106      3    4    7   42   62   76   85   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     I   101_A     I   101_A      5   28  106      4   16   32   50   64   76   85   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     Q   102_A     Q   102_A      5   28  106      4   16   32   50   64   76   85   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     I   103_A     I   103_A      5   28  106      4    9   32   46   64   76   85   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     G   104_A     G   104_A      5   28  106      4   15   32   48   63   76   85   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     Y   105_A     Y   105_A      5   35  106      3    5   14   39   60   76   85   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     C   106_A     C   106_A      4   35  106      3    5   19   50   63   76   85   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     N   107_A     N   107_A      4   35  106      3    5   25   48   64   76   85   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     G   108_A     G   108_A      4   35  106      3   23   39   55   64   76   85   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     P   109_A     P   109_A      3   35  106      3   22   42   52   66   76   86   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     N   110_A     N   110_A      4   35  106      3    3    4   44   62   76   85   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     S   111_A     S   111_A      9   35  106      3   25   42   55   66   76   86   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     T   112_A     T   112_A      9   35  106      3   10   34   51   63   76   85   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     L   113_A     L   113_A      9   35  106      4   14   39   55   66   78   86   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     N   114_A     N   114_A     11   35  106      5   11   18   47   62   76   85   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     G   115_A     G   115_A     23   35  106     10   28   42   55   66   78   86   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     L   116_A     L   116_A     23   35  106     15   34   44   59   70   78   86   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     E   117_A     E   117_A     23   35  106     15   34   44   59   70   78   86   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     Y   118_A     Y   118_A     23   35  106     15   34   44   59   70   78   86   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     H   119_A     H   119_A     23   35  106     15   34   44   59   70   78   86   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     K   120_A     K   120_A     23   35  106     15   32   44   59   70   78   86   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     S   121_A     S   121_A     23   35  106     15   34   44   59   70   78   86   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     S   122_A     S   122_A     23   35  106     15   34   44   59   70   78   86   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     E   123_A     E   123_A     23   35  106     15   34   44   59   70   78   86   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     I   124_A     I   124_A     23   35  106     15   34   44   59   70   78   86   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     N   125_A     N   125_A     23   35  106      9   34   44   59   70   78   86   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     I   126_A     I   126_A     23   35  106     13   34   44   59   70   78   86   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     A   127_A     A   127_A     23   35  106      8   19   42   59   70   78   86   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     I   128_A     I   128_A     23   35  106      7   19   42   59   70   78   86   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     T   129_A     T   129_A     23   35  106      6   19   39   59   70   78   86   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     D   130_A     D   130_A     23   35  106     10   30   44   59   70   78   86   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     M   131_A     M   131_A     23   35  106     15   34   44   59   70   78   86   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     V   132_A     V   132_A     23   35  106     12   34   44   59   70   78   86   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     L   133_A     L   133_A     23   35  106     15   34   44   59   70   78   86   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     L   134_A     L   134_A     23   35  106      6   34   44   59   70   78   86   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     L   135_A     L   135_A     23   35  106      9   34   44   59   70   78   86   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     G   136_A     G   136_A     23   35  106     15   34   44   59   70   78   86   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     K   137_A     K   137_A     23   35  106      6   34   44   59   70   78   86   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     V   138_A     V   138_A     23   35  106      6   19   33   55   69   78   86   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     Q   139_A     Q   139_A      4   35  106      6   17   40   57   69   78   85   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     E   140_A     E   140_A      4   25  106      3    4   11   19   26   31   54   65   92  101  104  112  115  117  119  124  126  129  132  133 
LCS_GDT     V   141_A     V   141_A      4    5  106      3    4    4    6    7   18   40   58   73   83  100  111  116  117  119  124  126  129  131  133 
LCS_GDT     E   142_A     E   142_A      4   14  106      3    3    4    5    5   32   40   50   74   91  106  112  116  117  119  123  126  129  131  133 
LCS_GDT     N   143_A     N   143_A      4   18  106      3    6    7    7   14   26   44   65   80  100  107  112  116  117  119  124  126  129  131  133 
LCS_GDT     N   144_A     N   144_A      4   29  106      3   12   20   32   52   71   86   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     V   145_A     V   145_A      8   29  106      5    9   21   33   60   75   86   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     F   146_A     F   146_A      9   29  106      5    9   23   43   66   76   86   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     H   147_A     H   147_A      9   29  106      5   12   19   36   62   75   86   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     S   148_A     S   148_A      9   29  106      5   12   24   52   66   75   86   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     N   149_A     N   149_A      9   29  106      5   12   30   52   66   75   86   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     D   150_A     D   150_A      9   29  106      5   12   32   52   66   76   86   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     V   151_A     V   151_A      9   29  106     11   29   44   56   69   78   86   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     I   152_A     I   152_A      9   37  106      6   34   44   59   70   78   86   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     A   153_A     A   153_A     11   37  106      9   34   44   59   70   78   86   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     F   154_A     F   154_A     11   37  106      5   32   44   59   70   78   86   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     F   155_A     F   155_A     11   37  106      6   34   44   59   70   78   86   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     V   156_A     V   156_A     11   37  106      4   23   44   59   70   78   86   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     P   157_A     P   157_A     11   37  106      3   18   40   55   67   78   86   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     K   158_A     K   158_A     11   37  106      7   25   42   57   69   78   86   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     G   159_A     G   159_A     11   37  106      5   16   29   49   64   75   85   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     T   160_A     T   160_A     12   37  106      7   25   44   59   70   78   86   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     A   161_A     A   161_A     12   37  106     10   26   44   57   70   78   86   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     V   162_A     V   162_A     12   37  106     10   28   44   59   70   78   86   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     E   163_A     E   163_A     12   37  106     11   31   44   59   70   78   86   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     L   164_A     L   164_A     12   37  106     15   34   44   59   70   78   86   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     Y   165_A     Y   165_A     12   37  106     13   34   44   59   70   78   86   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     S   166_A     S   166_A     12   37  106      7   30   44   59   70   78   86   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     T   167_A     T   167_A     12   37  106      4   10   30   48   64   77   85   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     T   168_A     T   168_A     12   37  106      7   23   44   59   70   78   86   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     L   169_A     L   169_A     12   37  106     14   34   44   59   70   78   86   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     H   170_A     H   170_A     12   37  106     15   34   44   59   70   78   86   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     F   171_A     F   171_A     12   37  106      6   26   42   55   66   78   86   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     A   172_A     A   172_A      8   37  106      3   16   36   57   70   78   86   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     P   173_A     P   173_A      8   37  106      3    8   30   57   70   78   86   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     C   174_A     C   174_A      8   37  106      3   13   32   57   70   78   86   93  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     K   175_A     K   175_A      8   37  106      3   11   30   57   70   78   86   92  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     V   176_A     V   176_A      5   37  106      3   19   35   59   70   78   86   93  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     N   177_A     N   177_A      5   37  106      3   10   33   55   70   78   86   92  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     N   178_A     N   178_A      3   37  106      3    6   18   36   62   75   81   87   95  101  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     E   179_A     E   179_A      8   37  106      3   19   36   59   70   78   86   92  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     G   180_A     G   180_A      8   37  106      3    5   28   57   69   77   83   91   97  104  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     F   181_A     F   181_A      9   37  106      4   19   32   57   70   78   86   91  102  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     K   182_A     K   182_A      9   37  106      8   19   32   57   70   78   86   92  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     T   183_A     T   183_A      9   37  106      8   19   42   59   70   78   86   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     I   184_A     I   184_A      9   37  106      7   20   39   59   70   78   86   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     V   185_A     V   185_A      9   37  106      7   20   40   59   70   78   86   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     I   186_A     I   186_A      9   37  106      8   20   44   59   70   78   86   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     L   187_A     L   187_A      9   37  106      6   32   44   59   70   78   86   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     P   188_A     P   188_A      9   37  106      4   34   44   59   70   78   86   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     K   189_A     K   189_A      9   31  106      3   34   43   59   70   78   86   94  103  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     G   190_A     G   190_A      3   31  106      3    5   28   56   69   77   86   92  101  107  110  113  116  117  119  124  126  129  132  133 
LCS_GDT     T   191_A     T   191_A      3    6  106      3    3    5    5    6    8    9   17   46   75   99  102  111  116  119  124  126  129  132  133 
LCS_GDT     N   192_A     N   192_A      3    6  106      3    3    5    6    8   10   18   23   61   75   87   94  104  109  117  123  126  129  132  133 
LCS_GDT     D   193_A     D   193_A      3    6  106      3    3   10   17   24   30   39   62   80   87   93  105  111  116  119  124  126  129  132  133 
LCS_GDT     P   194_A     P   194_A      4    6  106      3    4    4    5    6    8   10   20   71   78   89   95  108  114  119  123  125  127  132  133 
LCS_GDT     L   195_A     L   195_A      4    6  106      3    4    5    8   10   10   10   12   17   36   43   72   83  110  114  120  122  125  132  133 
LCS_GDT     S   196_A     S   196_A      6    7  106      3    4    6    6    7    8   10   12   14   20   27   31   37   55   64   93   98  104  115  121 
LCS_GDT     T   197_A     T   197_A      6    7  106      3    5    6    6    6    8   11   12   14   19   24   31   37   43   53   64   77   92  108  115 
LCS_GDT     N   198_A     N   198_A      6    7  104      4    5    6    6    6    8   11   12   14   19   24   30   37   43   53   66   76   92  106  115 
LCS_GDT     I   199_A     I   199_A      6    7   16      4    5    6    7    7    8   11   12   18   24   30   37   44   54   69   78   89  100  108  114 
LCS_GDT     Q   200_A     Q   200_A      6    7   16      4    5    6    6    6    8    8   11   14   17   25   31   37   41   51   58   67   79   91  103 
LCS_GDT     K   201_A     K   201_A      6    7   16      4    5    7    8   11   14   17   22   28   36   43   52   63   73   85   92  101  107  115  122 
LCS_GDT     R   202_A     R   202_A      3    7   16      3    4    7    8   11   14   18   22   28   38   48   58   67   80   90   97  103  111  119  123 
LCS_GDT     T   203_A     T   203_A      4    7   16      4    4    5    8   11   14   18   22   28   38   46   55   67   78   89   96  102  109  116  122 
LCS_GDT     K   204_A     K   204_A      4    7   16      4    4    4    7    8   10   13   16   27   38   46   55   67   82   91   98  106  113  119  123 
LCS_GDT     E   205_A     E   205_A      4    7   16      4    4    4    7    7    8   11   15   16   21   26   33   41   54   67   76   87   98  108  114 
LCS_GDT     D   206_A     D   206_A      4    7   16      4    4    4    7   10   13   16   20   24   30   34   41   51   59   68   81   89  100  108  114 
LCS_GDT     E   207_A     E   207_A      3    6   16      3    3    5    8   10   13   16   20   25   30   35   41   51   59   69   81   89  100  108  114 
LCS_GDT     L   208_A     L   208_A      3    6   16      3    3    4    4    6    9   11   12   20   27   31   36   43   52   64   73   85   95  104  114 
LCS_GDT     L   209_A     L   209_A      3    6   16      3    3    4    4    6    7   10   12   15   18   23   29   31   38   44   49   59   66   73   83 
LCS_GDT     F   210_A     F   210_A      3    7   16      3    3    4    5    7    9   10   10   12   12   14   17   19   26   29   34   41   49   57   68 
LCS_GDT     M   211_A     M   211_A      4    7   15      3    4    5    5    7    9   10   10   10   12   13   17   19   24   25   33   36   44   53   53 
LCS_GDT     K   212_A     K   212_A      4    7   15      3    4    5    5    7    9   10   10   10   10   11   13   14   24   25   27   32   34   39   42 
LCS_GDT     N   213_A     N   213_A      4    7   14      3    4    5    5    7    9   10   10   10   10   11   13   17   24   25   27   32   32   35   37 
LCS_GDT     K   214_A     K   214_A      4    7   14      3    4    5    5    7    9   10   10   10   11   12   14   18   24   25   27   32   37   42   52 
LCS_GDT     W   215_A     W   215_A      4    7   14      3    4    5    5    7    9   10   10   11   12   18   28   29   32   34   39   44   49   58   70 
LCS_GDT     L   216_A     L   216_A      6    7   14      3    4    6    7    7    9   12   14   16   21   27   31   37   42   52   59   69   80   95  106 
LCS_GDT     I   217_A     I   217_A      6    7   14      3    4    6    7    7    7   12   14   18   21   27   30   37   41   51   58   67   79   91  103 
LCS_GDT     A   218_A     A   218_A      6    7   13      3    4    6    7    7   11   13   17   19   22   27   34   37   45   52   60   69   79   91  102 
LCS_GDT     H   219_A     H   219_A      6    7   13      3    4    6    7    7    7   13   16   19   22   27   32   37   42   52   60   67   78   88   99 
LCS_GDT     P   220_A     P   220_A      6    7   11      3    4    6    7    7   10   13   17   19   22   27   29   31   37   43   53   59   67   75   83 
LCS_GDT     E   221_A     E   221_A      6    7   11      3    4    6    7   11   11   13   17   19   22   27   29   32   40   44   54   63   70   76   85 
LCS_GDT     R   222_A     R   222_A      5    7   11      3    4    5    7    7    8   10   14   18   21   26   29   31   36   43   49   59   64   72   80 
LCS_GDT     E   223_A     E   223_A      3    7   11      3    3    4    4    5    7    8   11   11   12   13   17   23   27   33   34   40   48   54   61 
LCS_GDT     Q   224_A     Q   224_A      3    5   11      3    3    4    4    5    6    8    9   10   10   13   16   19   24   26   31   32   46   52   54 
LCS_GDT     L   225_A     L   225_A      3    5   11      3    3    3    4    4    6    6    7   10   11   13   17   19   24   26   30   32   35   37   41 
LCS_GDT     I   226_A     I   226_A      3    4   18      3    3    3    4    4    6    6    8   10   11   14   17   19   24   26   30   32   35   37   41 
LCS_GDT     N   227_A     N   227_A      3    7   18      1    3    3    4    5    6    7   10   13   13   15   17   19   24   26   30   32   35   37   41 
LCS_GDT     K   228_A     K   228_A      6    7   18      0    6    6    7    7    9   11   12   13   15   16   17   19   24   26   29   31   32   35   38 
LCS_GDT     G   229_A     G   229_A      6    7   18      3    6    6    7    8   10   11   13   14   15   16   17   19   19   26   29   31   31   35   38 
LCS_GDT     A   230_A     A   230_A      6    7   18      3    6    6    7    8   10   11   13   14   15   16   16   17   17   19   21   24   28   28   32 
LCS_GDT     H   231_A     H   231_A      6    7   18      3    6    6    6    6   10   11   13   14   15   16   16   17   17   19   21   24   28   29   32 
LCS_GDT     P   232_A     P   232_A      6   10   18      3    6    6    7   10   10   12   12   14   15   16   16   17   17   19   21   24   28   28   32 
LCS_GDT     G   233_A     G   233_A      6   10   18      3    6    6    6    8   10   12   12   13   15   16   16   17   17   19   21   24   28   28   30 
LCS_GDT     I   234_A     I   234_A      6   10   18      3    4    6    8   10   10   12   13   14   15   16   16   17   17   17   18   18   19   19   19 
LCS_GDT     K   235_A     K   235_A      6   10   18      5    5    6    8   10   10   12   13   14   15   16   16   17   17   18   18   19   25   28   31 
LCS_GDT     G   236_A     G   236_A      6   10   18      5    5    6    8   10   10   12   13   14   15   16   16   17   17   17   18   19   21   23   26 
LCS_GDT     E   237_A     E   237_A      6   10   18      5    5    6    8   10   10   12   13   14   15   16   16   17   17   17   17   17   17   17   18 
LCS_GDT     N   238_A     N   238_A      6   10   18      5    5    6    8   10   10   12   13   14   15   16   16   17   17   17   17   17   17   17   18 
LCS_GDT     I   239_A     I   239_A      6   10   18      5    5    6    7    9   10   12   13   14   15   16   16   17   17   17   17   17   17   17   18 
LCS_GDT     K   240_A     K   240_A      5   10   18      4    4    5    8   10   10   12   13   14   15   16   16   17   17   17   17   17   17   17   18 
LCS_GDT     V   241_A     V   241_A      5   10   18      4    4    5    8   10   10   12   13   14   15   16   16   17   17   17   17   17   17   17   18 
LCS_GDT     Y   242_A     Y   242_A      5   10   18      3    4    5    7   10   10   12   13   14   15   16   16   17   17   17   17   17   17   17   18 
LCS_GDT     Q   243_A     Q   243_A      4   10   18      3    4    5    8   10   10   12   13   14   15   16   16   17   17   17   17   17   17   17   18 
LCS_AVERAGE  LCS_A:  13.98  (   3.86    9.00   29.08 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT     15     34     44     59     70     78     86     94    103    107    110    113    116    117    119    124    126    129    132    133 
GDT PERCENT_AT   6.76  15.32  19.82  26.58  31.53  35.14  38.74  42.34  46.40  48.20  49.55  50.90  52.25  52.70  53.60  55.86  56.76  58.11  59.46  59.91
GDT RMS_LOCAL    0.28   0.71   0.91   1.28   1.55   1.73   2.14   2.33   2.60   2.71   2.82   2.96   3.26   3.32   3.43   4.03   4.15   4.33   4.75   4.47
GDT RMS_ALL_AT  22.65  22.67  22.78  22.63  22.70  22.72  22.94  23.13  23.10  23.03  23.06  23.00  23.17  23.20  23.19  22.92  22.88  22.98  22.69  23.05

# Checking swapping
#   possible swapping detected:  F    24_A      F    24_A
#   possible swapping detected:  F    36_A      F    36_A
#   possible swapping detected:  E    40_A      E    40_A
#   possible swapping detected:  D    41_A      D    41_A
#   possible swapping detected:  Y    47_A      Y    47_A
#   possible swapping detected:  E    53_A      E    53_A
#   possible swapping detected:  D    55_A      D    55_A
#   possible swapping detected:  F    56_A      F    56_A
#   possible swapping detected:  Y    75_A      Y    75_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:  Y    96_A      Y    96_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   155_A      F   155_A
#   possible swapping detected:  E   221_A      E   221_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    19.916     0    0.051   0.051    22.389    0.000    0.000
LGA    S    23_A      S    23_A    16.568     0    0.595   0.687    18.376    0.000    0.000
LGA    F    24_A      F    24_A    10.954     0    0.690   1.297    13.766    0.000    1.082
LGA    Q    25_A      Q    25_A    14.471     0    0.586   1.186    15.120    0.000    0.000
LGA    Y    26_A      Y    26_A    15.909     0    0.117   1.107    18.304    0.000    0.000
LGA    M    27_A      M    27_A    13.341     0    0.192   0.839    14.813    0.000    0.000
LGA    K    28_A      K    28_A    10.733     0    0.209   1.423    13.565    0.119    0.053
LGA    D    29_A      D    29_A    10.724     0    0.440   0.558    13.836    0.476    0.238
LGA    L    30_A      L    30_A     9.167     0    0.266   1.278    12.084    5.833    3.095
LGA    N    31_A      N    31_A     6.890     0    0.250   0.417     8.158    8.095   13.988
LGA    K    32_A      K    32_A     8.770     0    0.458   1.126    11.745    4.405    2.222
LGA    H    33_A      H    33_A     4.768     0    0.139   1.070     8.234   29.048   25.286
LGA    I    34_A      I    34_A     4.375     0    0.570   1.034     6.187   34.524   33.393
LGA    P    35_A      P    35_A     5.618     0    0.153   0.170     6.083   31.905   28.231
LGA    F    36_A      F    36_A     4.636     0    0.085   0.820     5.817   31.548   30.779
LGA    Y    37_A      Y    37_A     3.062     0    0.054   1.368     7.332   59.405   42.262
LGA    H    38_A      H    38_A     2.052     0    0.036   1.359     7.276   66.786   47.857
LGA    I    39_A      I    39_A     1.651     0    0.646   0.770     3.717   65.476   63.333
LGA    E    40_A      E    40_A     1.812     0    0.688   1.333     9.598   65.476   38.466
LGA    D    41_A      D    41_A     4.228     0    0.604   1.053     7.916   52.143   31.131
LGA    S    42_A      S    42_A     0.335     0    0.087   0.082     1.996   88.571   86.270
LGA    K    43_A      K    43_A     1.615     0    0.038   0.971     3.593   77.143   67.937
LGA    F    44_A      F    44_A     0.495     0    0.055   0.362     2.430   92.976   81.861
LGA    K    45_A      K    45_A     1.287     2    0.067   0.730     5.505   81.429   50.794
LGA    H    46_A      H    46_A     1.332     0    0.031   0.942     3.029   81.429   73.286
LGA    Y    47_A      Y    47_A     1.045     0    0.046   0.228     1.290   81.429   87.460
LGA    G    48_A      G    48_A     1.055     0    0.036   0.036     1.055   83.690   83.690
LGA    K    49_A      K    49_A     1.054     4    0.053   0.062     1.432   81.429   46.243
LGA    V    50_A      V    50_A     1.598     0    0.044   0.070     2.418   75.000   70.612
LGA    I    51_A      I    51_A     1.827     0    0.055   0.057     2.367   68.810   72.976
LGA    N    52_A      N    52_A     3.037     0    0.681   1.017     5.132   46.905   43.929
LGA    E    53_A      E    53_A     5.949     0    0.229   0.812     7.212   18.690   20.899
LGA    Y    54_A      Y    54_A     5.242     0    0.120   1.233     7.596   33.214   20.595
LGA    D    55_A      D    55_A     3.780     0    0.168   1.112     4.961   38.810   43.036
LGA    F    56_A      F    56_A     5.468     0    0.242   1.493     8.462   20.357   25.671
LGA    N    57_A      N    57_A     7.218     0    0.036   1.317    10.475    8.571    8.631
LGA    E    58_A      E    58_A    10.396     0    0.042   0.242    14.476    1.190    0.688
LGA    L    59_A      L    59_A    13.991     0    0.067   1.449    17.274    0.000    0.000
LGA    E    60_A      E    60_A    15.338     0    0.089   0.908    19.434    0.000    0.000
LGA    T    61_A      T    61_A    17.386     0    0.019   1.140    21.809    0.000    0.000
LGA    Y    62_A      Y    62_A    21.775     0    0.066   1.155    26.043    0.000    0.000
LGA    M    63_A      M    63_A    24.356     0    0.080   0.815    28.281    0.000    0.000
LGA    D    64_A      D    64_A    26.751     0    0.132   0.224    31.078    0.000    0.000
LGA    S    65_A      S    65_A    30.193     0    0.043   0.590    34.331    0.000    0.000
LGA    L    66_A      L    66_A    34.480     0    0.098   1.278    36.374    0.000    0.000
LGA    T    67_A      T    67_A    40.705     0    0.373   1.250    44.450    0.000    0.000
LGA    I    68_A      I    68_A    42.804     0    0.128   0.400    45.749    0.000    0.000
LGA    P    69_A      P    69_A    45.740     0    0.258   0.323    47.777    0.000    0.000
LGA    Q    70_A      Q    70_A    51.957     0    0.496   1.221    54.653    0.000    0.000
LGA    D    71_A      D    71_A    54.563     3    0.426   0.421    56.902    0.000    0.000
LGA    Q    72_A      Q    72_A    49.269     3    0.462   0.801    50.887    0.000    0.000
LGA    N    73_A      N    73_A    45.830     0    0.596   1.499    47.207    0.000    0.000
LGA    V    74_A      V    74_A    40.435     0    0.089   1.165    42.116    0.000    0.000
LGA    Y    75_A      Y    75_A    35.453     0    0.041   1.371    37.540    0.000    0.000
LGA    V    76_A      V    76_A    32.149     0    0.056   1.176    34.109    0.000    0.000
LGA    A    77_A      A    77_A    27.102     0    0.667   0.627    28.995    0.000    0.000
LGA    S    78_A      S    78_A    24.194     0    0.020   0.688    27.137    0.000    0.000
LGA    V    79_A      V    79_A    23.733     0    0.643   0.602    23.733    0.000    0.000
LGA    T    80_A      T    80_A    23.434     0    0.637   0.596    24.401    0.000    0.000
LGA    E    81_A      E    81_A    24.455     0    0.637   1.242    31.742    0.000    0.000
LGA    M    82_A      M    82_A    18.946     0    0.654   1.037    20.880    0.000    0.000
LGA    E    83_A      E    83_A    19.316     0    0.561   1.111    23.177    0.000    0.000
LGA    N    84_A      N    84_A    21.412     0    0.298   1.321    24.652    0.000    0.000
LGA    T    85_A      T    85_A    24.849     0    0.601   1.399    27.870    0.000    0.000
LGA    I    86_A      I    86_A    25.540     0    0.605   1.504    27.642    0.000    0.000
LGA    I    87_A      I    87_A    24.607     0    0.547   1.416    27.365    0.000    0.000
LGA    K    88_A      K    88_A    19.492     0    0.068   0.738    21.809    0.000    0.000
LGA    N    89_A      N    89_A    19.060     0    0.034   0.921    22.995    0.000    0.000
LGA    Q    90_A      Q    90_A    19.464     0    0.029   1.610    25.951    0.000    0.000
LGA    L    91_A      L    91_A    15.380     0    0.037   0.114    19.307    0.000    0.000
LGA    Q    92_A      Q    92_A    10.132     0    0.061   1.162    14.077    2.143    0.952
LGA    E    93_A      E    93_A    10.545     0    0.026   0.979    15.083    0.119    0.053
LGA    A    94_A      A    94_A    13.125     0    0.112   0.118    15.423    0.000    0.000
LGA    F    95_A      F    95_A    11.894     0    0.065   0.310    13.692    0.000    0.000
LGA    Y    96_A      Y    96_A    10.622     0    0.549   1.274    21.181    0.476    0.159
LGA    G    97_A      G    97_A     9.352     0    0.652   0.652     9.360    2.619    2.619
LGA    E    98_A      E    98_A     7.647     0    0.720   0.976    14.514   20.952    9.630
LGA    M    99_A      M    99_A     3.471     0    0.130   0.928     8.658   44.167   27.321
LGA    S   100_A      S   100_A     3.558     0    0.212   0.302     7.006   48.452   37.540
LGA    I   101_A      I   101_A     3.441     0    0.202   1.099     6.307   51.786   48.810
LGA    Q   102_A      Q   102_A     3.187     0    0.101   1.191     4.447   45.119   54.074
LGA    I   103_A      I   103_A     3.271     0    0.712   0.916     6.110   45.357   38.095
LGA    G   104_A      G   104_A     3.114     0    0.179   0.179     3.724   51.905   51.905
LGA    Y   105_A      Y   105_A     3.448     0    0.338   1.257     5.610   51.786   43.611
LGA    C   106_A      C   106_A     2.790     0    0.127   0.166     3.800   51.905   54.921
LGA    N   107_A      N   107_A     2.899     0    0.021   0.219     6.409   66.905   45.060
LGA    G   108_A      G   108_A     1.589     0    0.139   0.139     3.273   69.286   69.286
LGA    P   109_A      P   109_A     2.112     0    0.706   0.659     4.334   79.524   63.197
LGA    N   110_A      N   110_A     3.500     0    0.115   0.489     9.511   47.143   29.226
LGA    S   111_A      S   111_A     1.978     0    0.357   0.752     4.737   66.786   60.556
LGA    T   112_A      T   112_A     2.933     0    0.518   1.338     4.590   48.929   49.456
LGA    L   113_A      L   113_A     2.181     0    0.372   0.312     4.096   55.952   66.607
LGA    N   114_A      N   114_A     3.179     0    0.263   1.050     5.876   61.071   46.667
LGA    G   115_A      G   115_A     1.551     0    0.064   0.064     2.007   75.119   75.119
LGA    L   116_A      L   116_A     0.950     0    0.132   0.229     1.502   85.952   86.012
LGA    E   117_A      E   117_A     0.882     0    0.055   0.664     1.680   90.476   86.561
LGA    Y   118_A      Y   118_A     0.959     0    0.039   0.142     2.535   90.476   76.786
LGA    H   119_A      H   119_A     0.909     0    0.196   0.246     0.996   92.857   94.286
LGA    K   120_A      K   120_A     1.988     0    0.280   1.270     6.108   68.929   56.296
LGA    S   121_A      S   121_A     1.180     0    0.095   0.109     1.615   81.429   80.000
LGA    S   122_A      S   122_A     1.156     0    0.098   0.307     1.655   81.429   80.000
LGA    E   123_A      E   123_A     0.711     0    0.065   0.615     2.057   88.214   82.646
LGA    I   124_A      I   124_A     0.878     0    0.035   0.452     2.817   88.214   77.560
LGA    N   125_A      N   125_A     1.013     0    0.036   1.116     4.174   90.595   80.536
LGA    I   126_A      I   126_A     1.678     0    0.077   0.202     3.224   67.262   65.060
LGA    A   127_A      A   127_A     2.847     0    0.179   0.369     3.559   53.810   54.476
LGA    I   128_A      I   128_A     3.748     0    0.054   0.139     4.412   41.905   42.619
LGA    T   129_A      T   129_A     4.057     0    0.821   0.774     5.228   38.810   34.898
LGA    D   130_A      D   130_A     2.967     0    0.256   0.868     3.396   59.167   60.119
LGA    M   131_A      M   131_A     2.020     0    0.165   0.279     2.191   70.952   71.905
LGA    V   132_A      V   132_A     1.798     0    0.034   0.179     3.061   70.833   66.122
LGA    L   133_A      L   133_A     0.963     0    0.089   0.857     2.359   83.690   81.667
LGA    L   134_A      L   134_A     1.166     0    0.030   0.962     4.106   83.690   73.869
LGA    L   135_A      L   135_A     0.424     0    0.063   0.921     4.119   95.238   78.810
LGA    G   136_A      G   136_A     0.449     0    0.113   0.113     1.058   92.976   92.976
LGA    K   137_A      K   137_A     1.276     0    0.085   0.861     5.562   88.333   67.460
LGA    V   138_A      V   138_A     1.981     0    0.669   0.569     3.649   71.071   63.129
LGA    Q   139_A      Q   139_A     2.948     0    0.385   1.228     8.397   47.143   28.201
LGA    E   140_A      E   140_A     7.790     0    0.417   1.247    14.162    9.881    4.444
LGA    V   141_A      V   141_A     8.969     0    0.563   0.533    11.173    6.190    3.810
LGA    E   142_A      E   142_A     9.497     4    0.600   0.594    10.701    1.190    0.529
LGA    N   143_A      N   143_A     8.355     0    0.625   1.291    12.156    4.524    2.321
LGA    N   144_A      N   144_A     4.877     0    0.325   0.634     5.540   27.619   28.988
LGA    V   145_A      V   145_A     3.971     0    0.100   1.001     4.908   46.905   43.673
LGA    F   146_A      F   146_A     2.864     0    0.051   1.106     6.790   55.357   47.532
LGA    H   147_A      H   147_A     3.696     0    0.075   1.148     7.119   50.119   35.619
LGA    S   148_A      S   148_A     2.602     0    0.022   0.781     3.497   61.190   57.460
LGA    N   149_A      N   149_A     2.651     0    0.056   0.903     4.599   62.976   50.179
LGA    D   150_A      D   150_A     2.078     0    0.068   1.218     5.035   73.095   59.464
LGA    V   151_A      V   151_A     0.255     0    0.061   0.090     0.980   95.238   93.197
LGA    I   152_A      I   152_A     1.134     0    0.435   0.766     4.216   77.619   63.155
LGA    A   153_A      A   153_A     1.468     0    0.210   0.326     2.798   77.143   73.143
LGA    F   154_A      F   154_A     1.368     0    0.126   0.218     2.506   81.429   73.853
LGA    F   155_A      F   155_A     1.326     0    0.016   0.247     2.861   81.429   70.909
LGA    V   156_A      V   156_A     1.186     0    0.204   1.201     4.525   77.381   67.279
LGA    P   157_A      P   157_A     1.966     0    0.631   0.559     4.124   64.048   67.891
LGA    K   158_A      K   158_A     1.933     1    0.629   0.732     3.002   70.833   61.376
LGA    G   159_A      G   159_A     3.573     0    0.093   0.093     3.573   50.119   50.119
LGA    T   160_A      T   160_A     1.635     0    0.048   1.300     2.542   72.976   69.524
LGA    A   161_A      A   161_A     1.405     0    0.170   0.215     1.899   77.143   76.286
LGA    V   162_A      V   162_A     1.439     0    0.038   0.084     1.864   83.690   80.272
LGA    E   163_A      E   163_A     1.014     0    0.086   0.855     2.625   83.690   79.841
LGA    L   164_A      L   164_A     0.952     0    0.044   0.737     3.060   90.476   82.083
LGA    Y   165_A      Y   165_A     0.699     0    0.036   1.264     9.142   90.476   53.611
LGA    S   166_A      S   166_A     0.818     0    0.660   0.566     2.442   84.048   86.190
LGA    T   167_A      T   167_A     2.839     0    0.063   1.315     6.209   59.167   51.701
LGA    T   168_A      T   168_A     1.576     0    0.082   1.173     3.814   79.405   71.224
LGA    L   169_A      L   169_A     0.661     0    0.021   0.939     2.883   90.476   84.048
LGA    H   170_A      H   170_A     0.522     0    0.047   0.099     0.650   92.857   93.333
LGA    F   171_A      F   171_A     1.376     0    0.170   0.482     4.497   85.952   60.346
LGA    A   172_A      A   172_A     2.453     0    0.063   0.064     3.011   67.024   63.619
LGA    P   173_A      P   173_A     4.195     0    0.108   0.163     5.109   38.690   34.898
LGA    C   174_A      C   174_A     4.725     0    0.082   0.768     4.799   32.857   32.381
LGA    K   175_A      K   175_A     5.424     0    0.064   0.750     7.966   25.000   17.513
LGA    V   176_A      V   176_A     4.613     0    0.043   1.185     5.424   30.119   31.633
LGA    N   177_A      N   177_A     5.133     0    0.477   1.180     8.638   27.500   21.310
LGA    N   178_A      N   178_A     8.122     0    0.439   1.174    11.642    5.833    3.155
LGA    E   179_A      E   179_A     5.700     4    0.689   0.640     6.096   18.214   10.476
LGA    G   180_A      G   180_A     7.200     0    0.255   0.255     7.885   10.119   10.119
LGA    F   181_A      F   181_A     5.744     0    0.059   0.283     6.041   22.738   22.381
LGA    K   182_A      K   182_A     5.397     0    0.068   0.546     8.336   27.619   18.677
LGA    T   183_A      T   183_A     3.754     0    0.031   0.147     4.304   40.238   41.633
LGA    I   184_A      I   184_A     3.787     0    0.052   0.578     4.213   46.667   46.905
LGA    V   185_A      V   185_A     3.153     0    0.062   0.182     3.734   48.333   49.048
LGA    I   186_A      I   186_A     2.859     0    0.086   1.103     5.247   60.952   50.060
LGA    L   187_A      L   187_A     1.835     0    0.083   0.824     2.649   68.810   66.845
LGA    P   188_A      P   188_A     2.009     0    0.070   0.148     2.279   66.786   68.231
LGA    K   189_A      K   189_A     3.133     2    0.118   0.693     3.836   48.452   41.429
LGA    G   190_A      G   190_A     6.265     0    0.710   0.710     6.469   20.476   20.476
LGA    T   191_A      T   191_A     8.853     0    0.137   1.065    12.241    2.024    1.156
LGA    N   192_A      N   192_A    11.109     0    0.727   0.800    14.277    0.238    0.119
LGA    D   193_A      D   193_A     9.982     0    0.152   1.027    14.046    0.357    0.179
LGA    P   194_A      P   194_A    10.306     0    0.561   0.565    11.616    0.238    0.204
LGA    L   195_A      L   195_A     9.756     0    0.175   0.989    11.385    0.476    1.667
LGA    S   196_A      S   196_A    15.145     0    0.695   0.835    18.353    0.000    0.000
LGA    T   197_A      T   197_A    16.943     0    0.080   1.107    17.027    0.000    0.000
LGA    N   198_A      N   198_A    18.303     0    0.182   0.980    21.356    0.000    0.000
LGA    I   199_A      I   199_A    20.222     0    0.087   1.299    21.087    0.000    0.000
LGA    Q   200_A      Q   200_A    24.082     4    0.056   0.079    26.804    0.000    0.000
LGA    K   201_A      K   201_A    20.747     0    0.571   0.906    21.981    0.000    0.000
LGA    R   202_A      R   202_A    19.990     0    0.091   1.430    21.230    0.000    0.000
LGA    T   203_A      T   203_A    20.217     0    0.579   0.634    21.221    0.000    0.000
LGA    K   204_A      K   204_A    19.229     0    0.060   1.183    23.216    0.000    0.000
LGA    E   205_A      E   205_A    22.188     0    0.418   0.932    27.833    0.000    0.000
LGA    D   206_A      D   206_A    22.130     0    0.666   0.643    24.273    0.000    0.000
LGA    E   207_A      E   207_A    21.581     0    0.612   1.243    21.581    0.000    0.000
LGA    L   208_A      L   208_A    21.463     0    0.675   1.272    22.815    0.000    0.000
LGA    L   209_A      L   209_A    25.065     0    0.154   0.879    26.667    0.000    0.000
LGA    F   210_A      F   210_A    27.177     0    0.622   0.811    28.779    0.000    0.000
LGA    M   211_A      M   211_A    29.929     0    0.058   1.066    33.105    0.000    0.000
LGA    K   212_A      K   212_A    35.578     0    0.330   0.679    44.617    0.000    0.000
LGA    N   213_A      N   213_A    35.384     0    0.203   0.254    37.638    0.000    0.000
LGA    K   214_A      K   214_A    28.670     0    0.293   1.197    31.146    0.000    0.000
LGA    W   215_A      W   215_A    24.830     0    0.071   0.575    32.538    0.000    0.000
LGA    L   216_A      L   216_A    20.289     0    0.372   1.221    23.049    0.000    0.000
LGA    I   217_A      I   217_A    22.442     0    0.194   1.608    26.348    0.000    0.000
LGA    A   218_A      A   218_A    22.342     0    0.032   0.045    24.455    0.000    0.000
LGA    H   219_A      H   219_A    24.444     0    0.070   1.203    26.316    0.000    0.000
LGA    P   220_A      P   220_A    30.039     0    0.054   0.082    31.858    0.000    0.000
LGA    E   221_A      E   221_A    30.324     0    0.721   1.082    30.501    0.000    0.000
LGA    R   222_A      R   222_A    29.605     0    0.300   1.457    33.670    0.000    0.000
LGA    E   223_A      E   223_A    35.610     0    0.659   1.148    36.581    0.000    0.000
LGA    Q   224_A      Q   224_A    36.830     4    0.663   0.633    39.462    0.000    0.000
LGA    L   225_A      L   225_A    40.326     0    0.634   0.814    42.643    0.000    0.000
LGA    I   226_A      I   226_A    45.478     0    0.623   0.523    49.582    0.000    0.000
LGA    N   227_A      N   227_A    50.807     0    0.692   0.736    54.481    0.000    0.000
LGA    K   228_A      K   228_A    51.894     0    0.592   0.980    53.908    0.000    0.000
LGA    G   229_A      G   229_A    54.537     0    0.623   0.623    54.537    0.000    0.000
LGA    A   230_A      A   230_A    53.795     0    0.116   0.133    57.175    0.000    0.000
LGA    H   231_A      H   231_A    58.123     0    0.044   0.217    63.248    0.000    0.000
LGA    P   232_A      P   232_A    60.419     0    0.159   0.225    63.011    0.000    0.000
LGA    G   233_A      G   233_A    62.662     0    0.710   0.710    62.662    0.000    0.000
LGA    I   234_A      I   234_A    60.423     0    0.150   1.011    62.493    0.000    0.000
LGA    K   235_A      K   235_A    61.901     0    0.155   1.274    63.776    0.000    0.000
LGA    G   236_A      G   236_A    63.552     0    0.062   0.062    63.552    0.000    0.000
LGA    E   237_A      E   237_A    63.243     4    0.042   0.048    63.979    0.000    0.000
LGA    N   238_A      N   238_A    59.982     0    0.558   1.214    61.812    0.000    0.000
LGA    I   239_A      I   239_A    59.743     0    0.074   1.228    61.006    0.000    0.000
LGA    K   240_A      K   240_A    60.483     0    0.108   0.781    60.857    0.000    0.000
LGA    V   241_A      V   241_A    59.781     0    0.149   0.186    60.693    0.000    0.000
LGA    Y   242_A      Y   242_A    62.292     0    0.079   1.170    74.088    0.000    0.000
LGA    Q   243_A      Q   243_A    61.553     0    0.633   1.291    66.200    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):    18.345         18.338                 18.449           31.623   28.380

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  243  222    4.0     94    2.33    35.023    30.231     3.862

LGA_LOCAL      RMSD:   2.334  Number of atoms:   94  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  23.129  Number of assigned atoms:  222 
Std_ASGN_ATOMS RMSD:  18.345  Standard rmsd on all 222 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.554290 * X  +   0.615603 * Y  +  -0.560174 * Z  +  -6.366711
  Y_new =  -0.663689 * X  +   0.733046 * Y  +   0.148863 * Z  +  28.669464
  Z_new =   0.502274 * X  +   0.289268 * Y  +   0.814889 * Z  +  36.559502 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.874978 -0.526227  0.341103   [DEG:  -50.1325  -30.1506   19.5438 ]
ZXZ: -1.830538  0.618258  1.048274   [DEG: -104.8821   35.4236   60.0617 ]
 
# END of job
