
#######################################################
#                                                     #
#                        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  302 ( 2523),  selected  285 , name one
# Molecule2: number of CA atoms  285 ( 2384),  selected  285 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   247      22_B - 268_B       4.99     6.54
  LCS_AVERAGE:     80.64

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    85      22_B - 106_B       1.96     9.02
  LCS_AVERAGE:     19.04

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    45      59_B - 103_B       0.89    10.71
  LCS_AVERAGE:      8.17

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  285
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     E    18_B     E    18_B      3    4  243      3    3    3    3    4    4    9   10   22   29   34   42   46   56  132  167  182  198  210  219 
LCS_GDT     N    19_B     N    19_B      3    9  244      3    3    3    4    7    8   13   23   35   48   57   65  122  152  159  173  187  230  233  240 
LCS_GDT     T    20_B     T    20_B      7   11  245      3    4    4   10   13   15   18   24   31   70  112  127  130  142  149  167  182  198  233  240 
LCS_GDT     Y    21_B     Y    21_B      7   84  246      3    6    9   14   15   18   23   28   41   57   71  159  186  198  214  219  232  246  254  259 
LCS_GDT     L    22_B     L    22_B      7   85  247      5    7   14   22   49  106  124  141  155  167  188  204  212  220  228  235  240  248  254  259 
LCS_GDT     S    23_B     S    23_B      7   85  247      5   24   77   97  108  117  125  143  156  176  190  204  212  220  228  235  240  248  254  259 
LCS_GDT     K    24_B     K    24_B      7   85  247      5   30   65   89  101  111  120  133  146  164  176  191  204  217  228  235  240  248  254  259 
LCS_GDT     S    25_B     S    25_B      7   85  247      5   13   31   68   97  110  120  132  146  164  181  194  208  220  228  235  240  248  254  259 
LCS_GDT     Q    26_B     Q    26_B      7   85  247      5   22   80   97  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     Q    27_B     Q    27_B      7   85  247     14   44   77   93  105  114  123  134  148  165  181  194  207  220  228  235  240  248  254  259 
LCS_GDT     D    28_B     D    28_B      6   85  247      3   37   77   96  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     T    29_B     T    29_B      6   85  247     10   55   80   97  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     Q    30_B     Q    30_B      6   85  247      6   54   79   97  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     V    31_B     V    31_B      6   85  247     10   56   80   97  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     N    32_B     N    32_B      6   85  247     17   56   80   97  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     C    33_B     C    33_B      3   85  247      3    8   17   31   50   82  120  131  154  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     Q    34_B     Q    34_B     11   85  247      5   21   74   93  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     L    35_B     L    35_B     11   85  247     12   52   80   97  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     K    36_B     K    36_B     20   85  247      6   48   80   97  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     I    37_B     I    37_B     20   85  247     18   56   80   97  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     N    38_B     N    38_B     20   85  247     14   55   80   97  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     S    39_B     S    39_B     20   85  247     13   51   80   97  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     S    40_B     S    40_B     20   85  247     11   38   80   97  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     Q    41_B     Q    41_B     20   85  247     12   56   80   97  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     H    42_B     H    42_B     20   85  247     16   56   80   97  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     L    43_B     L    43_B     20   85  247     18   56   80   97  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     V    44_B     V    44_B     20   85  247     19   56   80   97  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     V    45_B     V    45_B     20   85  247      3   14   64   93  107  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     N    46_B     N    46_B     20   85  247     16   56   80   97  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     S    47_B     S    47_B     20   85  247      7   49   80   97  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     Q    48_B     Q    48_B     20   85  247      8   52   80   97  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     T    49_B     T    49_B     20   85  247     10   56   80   97  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     R    50_B     R    50_B     20   85  247      8   56   80   97  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     D    51_B     D    51_B     20   85  247      8   56   80   97  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     C    52_B     C    52_B     20   85  247     17   56   80   97  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     F    53_B     F    53_B     20   85  247     19   56   80   97  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     E    54_B     E    54_B     20   85  247     17   56   80   97  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     Y    55_B     Y    55_B     20   85  247     18   56   80   97  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     F    56_B     F    56_B     16   85  247      6   16   77   97  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     I    57_B     I    57_B      6   85  247      5    6   15   24   47  105  124  141  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     T    58_B     T    58_B      6   85  247      5   16   52   88  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     Q    59_B     Q    59_B     45   85  247      5   17   39   84   98  113  122  138  155  174  190  204  212  220  228  235  240  248  254  259 
LCS_GDT     Y    60_B     Y    60_B     45   85  247      5   16   65   90  104  113  124  140  156  174  188  204  212  220  228  235  240  248  254  259 
LCS_GDT     G    61_B     G    61_B     45   85  247     17   56   80   97  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     E    62_B     E    62_B     45   85  247      6   53   80   97  108  117  124  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     S    63_B     S    63_B     45   85  247     18   56   80   97  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     N    64_B     N    64_B     45   85  247     19   56   80   97  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     L    65_B     L    65_B     45   85  247     19   56   80   97  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     Q    66_B     Q    66_B     45   85  247     14   56   80   97  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     K    67_B     K    67_B     45   85  247     19   56   80   97  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     V    68_B     V    68_B     45   85  247     19   56   80   97  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     K    69_B     K    69_B     45   85  247     17   56   80   97  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     T    70_B     T    70_B     45   85  247     19   56   80   97  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     H    71_B     H    71_B     45   85  247     18   56   80   97  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     F    72_B     F    72_B     45   85  247     18   56   80   97  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     E    73_B     E    73_B     45   85  247     19   56   80   97  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     K    74_B     K    74_B     45   85  247     14   51   80   97  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     F    75_B     F    75_B     45   85  247     14   48   80   97  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     I    76_B     I    76_B     45   85  247     14   51   80   97  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     Q    77_B     Q    77_B     45   85  247     14   49   80   97  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     D    78_B     D    78_B     45   85  247     14   41   77   97  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     Q    79_B     Q    79_B     45   85  247     14   46   80   97  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     Y    80_B     Y    80_B     45   85  247     19   56   80   97  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     L    81_B     L    81_B     45   85  247      4   38   77   97  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     E    82_B     E    82_B     45   85  247      6   30   77   97  108  117  125  141  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     P    83_B     P    83_B     45   85  247     12   55   80   97  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     A    84_B     A    84_B     45   85  247     19   56   80   97  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     R    85_B     R    85_B     45   85  247     19   56   80   97  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     S    86_B     S    86_B     45   85  247     19   56   80   97  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     Q    87_B     Q    87_B     45   85  247     16   56   80   97  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     I    88_B     I    88_B     45   85  247     19   56   80   97  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     I    89_B     I    89_B     45   85  247     18   56   80   97  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     D    90_B     D    90_B     45   85  247     19   56   80   97  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     L    91_B     L    91_B     45   85  247     19   56   80   97  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     W    92_B     W    92_B     45   85  247     19   56   80   97  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     T    93_B     T    93_B     45   85  247     18   56   80   97  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     R    94_B     R    94_B     45   85  247     19   56   80   97  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     Y    95_B     Y    95_B     45   85  247     19   56   80   97  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     L    96_B     L    96_B     45   85  247     19   56   80   97  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     K    97_B     K    97_B     45   85  247     18   56   80   97  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     Y    98_B     Y    98_B     45   85  247     18   56   80   97  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     R    99_B     R    99_B     45   85  247     19   56   80   97  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     E   100_B     E   100_B     45   85  247     19   56   80   97  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     Q   101_B     Q   101_B     45   85  247     19   56   80   97  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     L   102_B     L   102_B     45   85  247     18   56   80   97  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     A   103_B     A   103_B     45   85  247     19   54   80   97  108  117  125  138  155  174  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     Q   104_B     Q   104_B      6   85  247      4    9   31   62   88  112  124  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     I   105_B     I   105_B      6   85  247      4    5   13   24   79   99  120  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     Q   106_B     Q   106_B      6   85  247      4    5   13   19   77   98  117  138  155  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     P   107_B     P   107_B      6   12  247      4    5    6   14   23   36   95  125  153  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     S   108_B     S   108_B      6   12  247      3    5    6   14   56   76  109  130  154  175  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     Q   109_B     Q   109_B      6   12  247      3    4    7   14   54   79  110  132  154  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     S   110_B     S   110_B      4   17  247      3    3    4    8   26   89  115  131  140  155  174  190  207  219  228  235  240  248  254  259 
LCS_GDT     K   111_B     K   111_B      4   22  247      3    3    8   16   30   45   75   99  129  140  157  169  181  204  212  225  234  242  251  259 
LCS_GDT     Q   112_B     Q   112_B     13   23  247      3   22   46   78  101  117  125  132  142  160  181  201  212  220  228  235  240  248  254  259 
LCS_GDT     Q   113_B     Q   113_B     14   23  247      6   14   24   47   60   97  114  126  140  151  165  188  207  220  228  235  240  248  254  259 
LCS_GDT     D   114_B     D   114_B     14   23  247      6   14   27   61   88  111  125  132  148  172  191  204  212  220  228  235  240  248  254  259 
LCS_GDT     Q   115_B     Q   115_B     14   23  247      6   14   36   63   95  114  125  138  155  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     N   116_B     N   116_B     14   34  247      6   14   45   78  103  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     Y   117_B     Y   117_B     15   36  247      6   26   73   97  108  117  125  134  153  172  191  204  212  220  228  235  240  248  254  259 
LCS_GDT     F   118_B     F   118_B     15   36  247      6   26   46   88  108  117  125  134  153  172  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     Q   119_B     Q   119_B     15   36  247      6   25   68   94  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     K   120_B     K   120_B     15   36  247     18   55   80   97  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     V   121_B     V   121_B     15   36  247      8   46   80   97  108  117  124  134  152  166  184  203  212  220  228  235  240  248  254  259 
LCS_GDT     F   122_B     F   122_B     15   36  247      8   56   80   97  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     N   123_B     N   123_B     15   36  247     19   56   80   97  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     S   124_B     S   124_B     15   36  247     18   56   80   97  108  116  123  136  152  169  188  203  212  220  228  235  240  248  254  259 
LCS_GDT     I   125_B     I   125_B     15   36  247     19   56   80   97  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     Q   126_B     Q   126_B     15   36  247     19   56   80   97  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     D   127_B     D   127_B     15   36  247      8   56   80   97  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     I   128_B     I   128_B     15   36  247     19   56   80   97  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     R   129_B     R   129_B     15   36  247      9   56   80   97  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     K   130_B     K   130_B     15   36  247      8   37   76   97  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     R   131_B     R   131_B     15   36  247     19   56   80   97  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     F   132_B     F   132_B     15   36  247      6   41   80   97  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     F   133_B     F   133_B     15   36  247      5   29   73   97  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     S   134_B     S   134_B      3   36  247      0    8   22   37   92  112  124  136  155  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     A   135_B     A   135_B      3   36  247      3    3    4   12   30   77  103  118  128  142  155  172  195  219  228  235  240  248  254  259 
LCS_GDT     S   136_B     S   136_B     16   36  247      3   14   50   89  107  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     E   137_B     E   137_B     17   36  247      8   43   80   97  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     I   138_B     I   138_B     17   36  247      8   43   80   97  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     E   139_B     E   139_B     17   36  247      8   37   79   97  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     G   140_B     G   140_B     17   36  247     11   44   80   97  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     L   141_B     L   141_B     19   36  247      6   48   80   97  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     F   142_B     F   142_B     19   36  247      8   37   79   97  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     S   143_B     S   143_B     19   36  247      8   40   79   97  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     T   144_B     T   144_B     19   36  247      6   30   67   97  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     E   145_B     E   145_B     19   36  247      5   26   55   94  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     D   146_B     D   146_B     19   36  247     10   26   58   94  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     I   147_B     I   147_B     19   36  247      8   21   52   88  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     Y   148_B     Y   148_B     19   36  247     10   26   52   88  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     Q   149_B     Q   149_B     19   36  247      6   21   52   88  106  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     N   150_B     N   150_B     19   36  247     10   21   49   85  105  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     Y   151_B     Y   151_B     19   36  247     10   21   49   85  105  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     T   152_B     T   152_B     19   36  247     10   21   42   70  101  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     L   153_B     L   153_B     19   28  247     10   21   37   63   97  114  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     D   154_B     D   154_B     19   28  247     10   21   37   54   85  110  125  138  155  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     R   155_B     R   155_B     19   28  247     10   21   37   54   79  107  122  135  155  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     M   156_B     M   156_B     19   28  247     10   21   37   51   70   91  117  135  154  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     K   157_B     K   157_B     19   28  247     10   21   37   51   66   89  111  133  154  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     I   158_B     I   158_B     19   28  247     10   21   35   51   60   87  106  126  152  173  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     L   159_B     L   159_B     19   28  247     10   20   33   50   60   71   98  123  152  170  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     E   160_B     E   160_B     19   28  247     10   20   32   50   60   71   95  119  144  170  189  203  212  220  228  235  240  248  254  259 
LCS_GDT     D   161_B     D   161_B     19   28  247      4   13   23   42   53   67   74  105  124  148  172  188  209  217  225  233  237  244  252  259 
LCS_GDT     S   162_B     S   162_B      5   28  247      4    5    5   13   21   55   72   83  103  131  152  171  196  207  219  228  234  242  251  259 
LCS_GDT     S   163_B     S   163_B      5   28  247      4   10   20   38   56   67   72   85  103  122  147  163  186  204  216  226  234  240  248  255 
LCS_GDT     L   164_B     L   164_B      5    6  247      2    5    5    5   10   11   33   45   54   76  100  125  145  158  174  190  208  221  233  243 
LCS_GDT     S   165_B     S   165_B      4   17  247      1    3    4   13   22   36   71   80   95  110  122  146  171  194  205  217  225  235  243  250 
LCS_GDT     E   166_B     E   166_B      4   26  247      3    5    5   19   30   45   64  113  133  148  157  176  197  206  219  228  234  242  251  259 
LCS_GDT     I   167_B     I   167_B      4   30  247      3    5   11   22   29   45   71   89  126  148  156  169  196  206  217  225  234  242  251  259 
LCS_GDT     E   168_B     E   168_B     18   32  247     11   21   35   51   67   89  111  125  138  159  181  202  212  219  228  234  239  248  254  259 
LCS_GDT     K   169_B     K   169_B     19   32  247     11   21   35   51   67   89  111  125  144  170  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     A   170_B     A   170_B     19   32  247     11   21   37   54   81  107  122  132  154  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     K   171_B     K   171_B     19   32  247     11   21   37   54   81  105  121  131  146  170  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     K   172_B     K   172_B     19   32  247     11   21   36   52   74  100  118  129  146  170  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     L   173_B     L   173_B     19   32  247     11   21   37   58   88  110  125  135  154  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     K   174_B     K   174_B     19   32  247     11   20   37   61   97  114  125  132  154  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     E   175_B     E   175_B     19   32  247     11   21   37   55   88  110  125  132  153  173  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     R   176_B     R   176_B     19   32  247     11   21   37   54   85  110  125  135  154  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     F   177_B     F   177_B     19   32  247     11   21   40   72  101  117  125  138  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     E   178_B     E   178_B     19   32  247     11   21   37   67  100  117  125  135  154  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     Q   179_B     Q   179_B     19   32  247      6   21   37   60   94  114  125  135  155  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     L   180_B     L   180_B     19   32  247      6   21   42   85  105  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     P   181_B     P   181_B     19   32  247      6   21   52   88  106  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     E   182_B     E   182_B     19   32  247      6   29   73   97  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     D   183_B     D   183_B     19   32  247      6   35   76   97  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     W   184_B     W   184_B     19   32  247      6   37   71   96  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     Q   185_B     Q   185_B     19   32  247      6   31   73   96  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     E   186_B     E   186_B     19   32  247      6   55   78   97  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     N   187_B     N   187_B     19   32  247      7   54   78   97  108  117  125  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     L   188_B     L   188_B     18   32  247      6   26   74   92  107  117  124  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     Q   189_B     Q   189_B     18   32  247      6   42   74   92  107  115  124  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     E   190_B     E   190_B     18   35  247      6   32   73   92  107  115  124  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     L   191_B     L   191_B     18   36  247      6   17   39   77  101  112  124  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     S   192_B     S   192_B     18   37  247      8   15   40   74  101  111  124  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     K   193_B     K   193_B     18   37  247      8   15   40   83  101  111  124  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     L   194_B     L   194_B     16   37  247      7   15   31   52   83  104  124  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     D   195_B     D   195_B     16   37  247      8   13   23   54   89  106  124  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     D   196_B     D   196_B     16   37  247      8   16   33   64   89  109  124  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     L   197_B     L   197_B     19   37  247      8   13   28   54   89  103  124  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     H   198_B     H   198_B     19   37  247      8   15   20   30   53   71  112  133  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     T   199_B     T   199_B     19   37  247      8   13   20   38   60   91  116  136  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     L   200_B     L   200_B     19   37  247      8   14   20   38   71   94  116  134  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     T   201_B     T   201_B     19   37  247      6   15   20   38   60   86  116  134  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     K   202_B     K   202_B     19   37  247      6   15   20   27   60   82  105  134  151  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     Q   203_B     Q   203_B     19   37  247      6   15   20   35   60   82  105  128  151  174  190  204  212  220  228  235  240  248  254  259 
LCS_GDT     I   204_B     I   204_B     19   37  247      6   15   20   35   52   72  105  128  146  174  189  204  212  220  228  235  240  248  254  259 
LCS_GDT     K   205_B     K   205_B     19   37  247      6   15   20   35   52   72  105  128  147  174  190  204  212  220  228  235  240  248  254  259 
LCS_GDT     A   206_B     A   206_B     19   37  247      6   15   20   35   52   72  105  128  147  174  190  204  212  220  228  235  240  248  254  259 
LCS_GDT     R   207_B     R   207_B     19   37  247      5    7   16   25   52   72   92  128  145  170  186  204  212  218  228  235  240  248  254  259 
LCS_GDT     N   208_B     N   208_B     19   37  247      6   15   20   27   52   72   92  115  145  170  186  204  212  219  228  235  240  248  254  259 
LCS_GDT     G   209_B     G   209_B     19   37  247      6   15   20   27   32   63   88  115  132  158  177  194  209  218  228  235  240  248  254  259 
LCS_GDT     S   210_B     S   210_B     19   37  247      5   15   20   27   32   36   44   53  131  158  175  194  205  218  228  235  239  246  254  259 
LCS_GDT     A   211_B     A   211_B     19   37  247      7   15   20   27   32   36   85  115  132  158  177  194  208  218  228  235  240  248  254  259 
LCS_GDT     E   212_B     E   212_B     19   37  247      7   15   20   27   32   36   43   53  122  158  175  189  205  218  227  235  239  247  254  259 
LCS_GDT     E   213_B     E   213_B     19   37  247      7   15   20   27   32   36   43   53  122  158  175  189  197  218  224  235  239  247  254  259 
LCS_GDT     L   214_B     L   214_B     19   39  247      7   15   20   27   52   72  105  128  145  174  186  204  212  220  228  235  240  248  254  259 
LCS_GDT     R   215_B     R   215_B     19   39  247      7   15   20   27   56   84  110  129  148  174  190  204  212  220  228  235  240  248  254  259 
LCS_GDT     Q   216_B     Q   216_B     19   39  247      7   15   20   27   32   43   73  100  129  158  177  190  208  218  228  235  240  248  254  259 
LCS_GDT     M   217_B     M   217_B     28   39  247      6   14   24   34   39   52   73  109  130  148  177  194  208  218  228  235  240  248  254  259 
LCS_GDT     R   218_B     R   218_B     28   39  247      6   19   32   35   53   91  116  134  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     T   219_B     T   219_B     28   39  247      9   25   32   35   44   86  113  134  155  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     A   220_B     A   220_B     28   39  247      5   25   32   35   39   52   73  101  129  156  178  197  211  218  228  235  240  248  254  259 
LCS_GDT     L   221_B     L   221_B     28   39  247     13   25   32   35   39   43   61  100  122  156  178  199  211  218  228  235  240  248  254  259 
LCS_GDT     V   222_B     V   222_B     28   39  247     13   25   32   35   39   53  114  137  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     G   223_B     G   223_B     28   39  247     13   25   32   35   83  104  124  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     A   224_B     A   224_B     28   39  247     13   25   32   64   89  109  124  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     E   225_B     E   225_B     28   39  247     13   25   44   80   98  112  124  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     A   226_B     A   226_B     28   39  247     13   25   32   69   98  112  124  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     T   227_B     T   227_B     28   39  247     13   25   32   54   79  103  124  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     Q   228_B     Q   228_B     28   39  247     13   25   33   64   89  109  124  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     R   229_B     R   229_B     28   39  247     13   25   44   74   98  111  124  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     L   230_B     L   230_B     28   46  247     13   25   32   60   89  109  124  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     E   231_B     E   231_B     28   47  247     13   25   32   54   79  103  124  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     T   232_B     T   232_B     28   58  247      7   25   32   60   89  109  124  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     L   233_B     L   233_B     28   59  247     13   25   32   60   89  109  124  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     D   234_B     D   234_B     28   59  247     13   25   32   35   73  103  124  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     I   235_B     I   235_B     28   61  247      7   25   32   51   79  103  124  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     Q   236_B     Q   236_B     28   61  247      7   25   37   51   79  103  124  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     R   237_B     R   237_B     28   61  247     11   25   32   44   52   91  118  140  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     N   238_B     N   238_B     28   61  247     11   25   32   44   56   91  110  133  154  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     A   239_B     A   239_B     36   61  247     13   27   37   51   79  103  124  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     W   240_B     W   240_B     36   61  247     13   27   37   47   79  103  120  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     Q   241_B     Q   241_B     36   61  247     13   26   37   44   52   59   64  112  142  164  184  197  211  218  228  235  240  248  254  259 
LCS_GDT     Q   242_B     Q   242_B     36   61  247     11   23   37   44   52   71   97  128  154  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     R   243_B     R   243_B     36   61  247     13   23   37   51   79  103  124  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     V   244_B     V   244_B     36   61  247     13   27   37   51   79  103  124  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     T   245_B     T   245_B     36   61  247     13   27   37   44   52   71   97  127  150  174  189  204  212  220  228  235  240  248  254  259 
LCS_GDT     G   246_B     G   246_B     36   61  247     13   27   37   44   60   85  113  135  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     Y   247_B     Y   247_B     36   61  247     13   27   37   52   79  102  124  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     L   248_B     L   248_B     36   61  247     11   27   37   44   59   96  120  141  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     N   249_B     N   249_B     36   61  247     13   27   37   44   52   72  109  132  154  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     Q   250_B     Q   250_B     36   61  247     12   27   37   51   62   89  115  136  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     R   251_B     R   251_B     36   61  247     12   27   37   52   79  102  124  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     D   252_B     D   252_B     36   61  247     13   27   37   44   64   94  119  138  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     E   253_B     E   253_B     36   61  247     12   27   37   51   61   85  109  134  154  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     V   254_B     V   254_B     36   61  247     12   27   37   51   61   88  112  135  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     L   255_B     L   255_B     36   61  247     12   27   37   52   78   99  122  143  156  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     H   256_B     H   256_B     36   61  247      6   23   34   44   58   86  110  135  154  176  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     S   257_B     S   257_B     36   61  247      4   27   36   51   61   78  106  131  152  174  192  204  212  220  228  235  240  248  254  259 
LCS_GDT     N   258_B     N   258_B     36   61  247      3    3    3   37   50   58   64  109  146  166  191  204  212  220  228  235  240  248  254  259 
LCS_GDT     M   259_B     M   259_B     36   61  247      5   27   37   44   52   59   64   68   73  135  157  192  208  220  228  235  240  248  254  259 
LCS_GDT     S   260_B     S   260_B     36   61  247      8   27   37   44   52   59   64   68  133  151  168  187  198  214  228  235  240  248  254  259 
LCS_GDT     D   261_B     D   261_B     36   61  247     11   27   37   44   52   59   64  128  144  157  171  185  196  207  222  233  240  248  254  259 
LCS_GDT     S   262_B     S   262_B     36   61  247     11   27   34   44   52   59   64   68   73   78   81   84  161  171  193  206  220  231  246  258 
LCS_GDT     A   263_B     A   263_B     36   61  247     12   27   34   44   52   58   64   68   73   78   81   84   86  123  198  212  221  237  250  258 
LCS_GDT     K   264_B     K   264_B     36   61  247     12   27   37   44   52   59   64  121  139  151  173  190  206  220  228  235  240  248  254  259 
LCS_GDT     K   265_B     K   265_B     36   61  247     12   27   37   44   52   59   64   68   73  148  164  176  192  204  218  233  240  248  254  259 
LCS_GDT     Q   266_B     Q   266_B     36   61  247     12   27   34   44   52   59   64   68   73   78   81   84   86   99  104  115  214  228  239  253 
LCS_GDT     A   267_B     A   267_B     36   61  247     12   27   35   44   52   59   64   68   73   78   81   84  118  190  207  218  238  246  253  259 
LCS_GDT     I   268_B     I   268_B     36   61  247     12   27   37   44   52   59  101  123  139  156  180  194  208  220  228  235  240  248  254  259 
LCS_GDT     Q   269_B     Q   269_B     36   61  244     12   27   37   44   52   59   64   68   73   78   81   84  174  191  204  218  232  246  254  259 
LCS_GDT     Q   270_B     Q   270_B     36   61   99     12   27   37   44   52   59   64   68   73   78   81   84   86   99  105  144  218  237  246  255 
LCS_GDT     L   271_B     L   271_B     36   61   99     12   26   37   44   52   59   64   68   73  134  168  182  207  220  228  235  240  248  254  259 
LCS_GDT     R   272_B     R   272_B     36   61   99     12   26   37   44   52   59   76  122  138  157  179  190  206  220  228  235  240  248  254  259 
LCS_GDT     Q   273_B     Q   273_B     36   61   99     12   26   37   44   52   59   64   68   73   78   81   84   86   99  198  214  228  237  253  259 
LCS_GDT     Q   274_B     Q   274_B     36   61   99     12   26   37   44   52   59   64   68   73   78   81   84  107  126  203  218  232  246  253  259 
LCS_GDT     Q   275_B     Q   275_B     33   61   99     12   21   37   44   52   65   81  123  149  172  191  204  212  220  228  235  240  248  254  259 
LCS_GDT     F   276_B     F   276_B     31   61   99     13   23   37   44   52   65  103  122  147  164  181  194  208  220  228  235  240  248  254  259 
LCS_GDT     S   277_B     S   277_B     20   61   99      5   23   31   39   50   58   63   64   67   72   81  161  180  191  211  224  238  248  254  259 
LCS_GDT     S   278_B     S   278_B     20   61   99      4   13   25   33   49   56   63   64  104  114  123  157  172  183  201  214  222  234  247  258 
LCS_GDT     S   279_B     S   279_B     17   61   99      4   12   21   33   50   56   63   64   67  114  123  125  143  169  181  200  214  226  241  248 
LCS_GDT     Q   280_B     Q   280_B     16   61   99     13   23   37   57   89  104  113  126  135  142  147  159  172  181  191  209  222  231  243  255 
LCS_GDT     E   281_B     E   281_B     16   61   99     13   23   47   88  102  114  123  134  146  156  169  188  198  208  221  232  240  248  254  259 
LCS_GDT     Q   282_B     Q   282_B     16   61   99     10   23   32   82   99  114  123  134  146  159  169  188  198  208  221  233  240  248  254  259 
LCS_GDT     L   283_B     L   283_B     16   61   99     10   19   61   89  101  112  123  131  139  156  164  175  186  200  213  225  236  246  254  259 
LCS_GDT     R   284_B     R   284_B     16   61   99     10   23   32   44   79  106  123  131  143  156  166  176  195  207  216  229  240  248  254  259 
LCS_GDT     L   285_B     L   285_B     16   61   99     10   23   37   54   90  107  124  135  151  164  179  189  203  215  227  233  240  248  254  259 
LCS_GDT     R   286_B     R   286_B     16   61   99     10   19   32   56   90  103  119  134  147  160  174  186  199  210  222  233  240  248  254  259 
LCS_GDT     T   287_B     T   287_B     16   61   99     10   25   32   41   52   59   64   68  135  151  164  176  190  205  215  228  239  248  254  259 
LCS_GDT     F   288_B     F   288_B     16   61   99     10   25   34   44   52   59   64   75  135  151  168  183  198  209  221  232  240  248  254  259 
LCS_GDT     E   289_B     E   289_B     16   61   99     12   25   37   44   52   59   98  122  145  160  174  188  201  215  223  233  240  248  254  259 
LCS_GDT     T   290_B     T   290_B     16   61   99     12   25   32   44   52   59   64   75  123  151  164  178  196  207  220  229  240  248  254  259 
LCS_GDT     V   291_B     V   291_B     16   61   99      8   25   32   41   52   59   64   68   73  109  118  134  186  204  214  224  233  245  254  258 
LCS_GDT     H   292_B     H   292_B      3   61   99      3    4    8   17   21   27   38   56   61  109  118  171  186  205  215  228  240  248  254  259 
LCS_GDT     D   293_B     D   293_B      3   61   99      9   23   37   44   52   59   64   75  123  148  164  183  196  209  221  232  240  248  254  259 
LCS_GDT     Q   294_B     Q   294_B      3   61   99      3    3    5   34   47   58   64   68   70   78   81   84  100  111  120  161  175  222  230  240 
LCS_GDT     G   295_B     G   295_B      3   61   99      3    3    5   17   46   58   64   68   70   78   81   84   86  111  154  161  189  204  230  240 
LCS_GDT     G   296_B     G   296_B      4    7   99      4    4    4    5    9   16   44   63   70   73   81   83   86  117  154  161  189  204  230  240 
LCS_GDT     E   297_B     E   297_B      4    7   99      4    4   13   35   50   59   64   68   70   78   81   84   86   88   91   93  103  182  190  203 
LCS_GDT     L   298_B     L   298_B      5    7   99      4    4    5   34   50   58   64   68   70   74   81   83   86   88   91  114  149  171  199  216 
LCS_GDT     P   299_B     P   299_B      5    7   99      4    4    5   37   47   55   63   65   67   71   74   78   86   88   91   92   92   94  104  115 
LCS_GDT     F   300_B     F   300_B      5    5   99      3    4    5    5   18   35   39   50   60   66   67   73   82   88   91   92  104  141  172  188 
LCS_GDT     N   301_B     N   301_B      5    5   99      3    4    5   19   25   35   39   42   56   60   67   75   82   88   91   92   92  100  114  135 
LCS_GDT     Y   302_B     Y   302_B      5    5   99      3    4    5   10   21   46   56   60   64   67   71   73   78   84   91   92   92   94   97   98 
LCS_AVERAGE  LCS_A:  35.95  (   8.17   19.04   80.64 )

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     19     56     80     97    108    117    125    143    156    176    192    204    212    220    228    235    240    248    254    259 
GDT PERCENT_AT   6.67  19.65  28.07  34.04  37.89  41.05  43.86  50.18  54.74  61.75  67.37  71.58  74.39  77.19  80.00  82.46  84.21  87.02  89.12  90.88
GDT RMS_LOCAL    0.33   0.68   0.95   1.18   1.38   1.64   2.02   2.55   2.78   3.21   3.50   3.68   3.82   4.01   4.18   4.33   4.48   4.73   4.90   5.06
GDT RMS_ALL_AT   9.15   8.87   9.02   8.95   8.68   8.34   8.44   6.49   6.47   6.47   6.54   6.53   6.55   6.49   6.50   6.53   6.42   6.38   6.38   6.39

# Checking swapping
#   possible swapping detected:  E    54_B      E    54_B
#   possible swapping detected:  E    73_B      E    73_B
#   possible swapping detected:  F    75_B      F    75_B
#   possible swapping detected:  Y    98_B      Y    98_B
#   possible swapping detected:  F   132_B      F   132_B
#   possible swapping detected:  E   137_B      E   137_B
#   possible swapping detected:  E   145_B      E   145_B
#   possible swapping detected:  Y   148_B      Y   148_B
#   possible swapping detected:  D   161_B      D   161_B
#   possible swapping detected:  E   168_B      E   168_B
#   possible swapping detected:  E   175_B      E   175_B
#   possible swapping detected:  E   182_B      E   182_B
#   possible swapping detected:  E   186_B      E   186_B
#   possible swapping detected:  D   195_B      D   195_B
#   possible swapping detected:  E   212_B      E   212_B
#   possible swapping detected:  E   213_B      E   213_B
#   possible swapping detected:  E   231_B      E   231_B
#   possible swapping detected:  E   253_B      E   253_B
#   possible swapping detected:  D   293_B      D   293_B
#   possible swapping detected:  F   300_B      F   300_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E    18_B      E    18_B    15.844     0    0.667   0.934    18.074    0.000    0.000
LGA    N    19_B      N    19_B    12.492     0    0.704   0.613    14.709    0.119    0.060
LGA    T    20_B      T    20_B    12.944     0    0.655   0.903    15.944    0.000    0.000
LGA    Y    21_B      Y    21_B     9.928     0    0.104   1.416    10.871    3.095    1.190
LGA    L    22_B      L    22_B     4.776     0    0.055   0.783     6.675   23.333   31.786
LGA    S    23_B      S    23_B     3.440     0    0.037   0.642     3.979   46.667   49.127
LGA    K    24_B      K    24_B     5.831     0    0.082   0.716    11.998   22.857   12.222
LGA    S    25_B      S    25_B     5.309     0    0.202   0.585     5.309   28.810   27.937
LGA    Q    26_B      Q    26_B     3.389     0    0.224   1.286     4.513   38.929   55.450
LGA    Q    27_B      Q    27_B     5.260     0    0.701   0.665     9.509   31.667   16.667
LGA    D    28_B      D    28_B     1.646     0    0.133   0.374     3.620   75.476   69.524
LGA    T    29_B      T    29_B     1.822     0    0.066   0.959     3.786   64.881   59.660
LGA    Q    30_B      Q    30_B     1.553     0    0.037   0.710     3.065   75.000   74.127
LGA    V    31_B      V    31_B     2.307     0    0.534   1.328     4.820   54.524   54.218
LGA    N    32_B      N    32_B     1.229     0    0.733   0.939     2.366   75.119   74.107
LGA    C    33_B      C    33_B     4.825     0    0.315   0.720     9.334   43.929   31.190
LGA    Q    34_B      Q    34_B     1.207     0    0.381   0.884     3.559   79.286   61.534
LGA    L    35_B      L    35_B     1.166     0    0.153   0.836     3.188   81.429   75.595
LGA    K    36_B      K    36_B     1.267     0    0.123   1.353     6.157   79.286   64.497
LGA    I    37_B      I    37_B     1.366     0    0.018   1.022     4.200   81.429   72.679
LGA    N    38_B      N    38_B     1.169     0    0.022   1.164     4.823   81.429   65.000
LGA    S    39_B      S    39_B     1.049     0    0.398   0.790     2.695   75.357   76.111
LGA    S    40_B      S    40_B     1.024     0    0.709   1.023     3.986   72.024   73.730
LGA    Q    41_B      Q    41_B     1.013     0    0.157   0.553     1.701   83.690   82.487
LGA    H    42_B      H    42_B     1.721     0    0.142   1.247     6.281   72.976   55.905
LGA    L    43_B      L    43_B     1.103     0    0.087   1.155     3.502   79.286   74.524
LGA    V    44_B      V    44_B     1.482     0    0.086   0.100     3.321   85.952   74.762
LGA    V    45_B      V    45_B     2.354     0    0.151   0.214     4.040   70.833   59.116
LGA    N    46_B      N    46_B     1.320     0    0.034   1.131     5.178   75.000   65.476
LGA    S    47_B      S    47_B     2.001     0    0.126   0.182     2.795   70.833   67.540
LGA    Q    48_B      Q    48_B     1.610     0    0.047   0.891     3.568   77.143   69.683
LGA    T    49_B      T    49_B     1.090     0    0.017   1.109     2.638   83.690   76.871
LGA    R    50_B      R    50_B     1.547     0    0.099   0.245     2.104   79.286   71.515
LGA    D    51_B      D    51_B     1.624     0    0.025   0.183     2.180   77.143   73.988
LGA    C    52_B      C    52_B     0.700     0    0.045   0.103     1.043   88.214   90.556
LGA    F    53_B      F    53_B     0.516     0    0.093   0.343     1.256   88.214   89.740
LGA    E    54_B      E    54_B     1.551     0    0.068   1.074     4.519   72.976   62.751
LGA    Y    55_B      Y    55_B     1.584     0    0.157   0.327     2.817   72.976   70.278
LGA    F    56_B      F    56_B     3.063     0    0.478   0.372     4.307   50.476   47.143
LGA    I    57_B      I    57_B     4.282     0    0.068   0.605     7.225   46.905   30.774
LGA    T    58_B      T    58_B     2.170     0    0.023   1.011     6.195   64.881   50.204
LGA    Q    59_B      Q    59_B     4.398     0    0.075   1.153    10.833   39.405   21.323
LGA    Y    60_B      Y    60_B     4.042     0    0.169   0.766     6.837   45.119   32.579
LGA    G    61_B      G    61_B     2.361     0    0.073   0.073     2.865   64.881   64.881
LGA    E    62_B      E    62_B     2.710     0    0.053   0.972     4.228   57.143   51.799
LGA    S    63_B      S    63_B     2.035     0    0.036   0.675     2.444   66.786   68.889
LGA    N    64_B      N    64_B     1.016     0    0.026   1.114     4.751   85.952   69.881
LGA    L    65_B      L    65_B     0.661     0    0.088   1.408     3.342   95.238   83.452
LGA    Q    66_B      Q    66_B     0.479     0    0.036   1.048     2.769   92.857   79.259
LGA    K    67_B      K    67_B     1.035     0    0.045   0.908     5.517   83.690   68.783
LGA    V    68_B      V    68_B     1.008     0    0.108   0.114     1.695   85.952   82.789
LGA    K    69_B      K    69_B     0.674     0    0.034   1.064     2.920   90.476   80.159
LGA    T    70_B      T    70_B     0.803     0    0.143   1.116     2.603   85.952   79.456
LGA    H    71_B      H    71_B     1.627     0    0.072   1.147     5.256   72.976   61.095
LGA    F    72_B      F    72_B     1.203     0    0.027   0.363     1.310   81.429   88.961
LGA    E    73_B      E    73_B     1.183     0    0.070   0.920     4.417   79.405   62.963
LGA    K    74_B      K    74_B     2.703     0    0.046   0.990     8.343   57.262   40.000
LGA    F    75_B      F    75_B     2.785     0    0.058   1.486     6.789   55.357   42.944
LGA    I    76_B      I    76_B     2.143     0    0.020   1.426     3.789   62.857   62.381
LGA    Q    77_B      Q    77_B     2.742     0    0.052   1.005     5.084   55.476   45.661
LGA    D    78_B      D    78_B     3.589     0    0.205   0.587     4.975   50.119   41.488
LGA    Q    79_B      Q    79_B     3.059     0    0.059   1.069     6.228   53.571   44.603
LGA    Y    80_B      Y    80_B     2.024     0    0.173   0.229     3.291   66.786   63.651
LGA    L    81_B      L    81_B     3.520     0    0.429   0.560     6.502   40.714   32.500
LGA    E    82_B      E    82_B     4.116     0    0.158   1.018    10.447   41.905   21.481
LGA    P    83_B      P    83_B     2.669     0    0.057   0.454     4.421   61.190   52.721
LGA    A    84_B      A    84_B     2.096     0    0.071   0.090     2.448   68.810   68.000
LGA    R    85_B      R    85_B     1.860     0    0.056   1.323     3.610   72.857   72.684
LGA    S    86_B      S    86_B     2.173     0    0.163   0.643     2.591   68.810   66.190
LGA    Q    87_B      Q    87_B     2.117     0    0.026   0.957     3.065   68.810   69.471
LGA    I    88_B      I    88_B     1.025     0    0.092   1.396     4.156   83.690   75.000
LGA    I    89_B      I    89_B     1.118     0    0.036   0.652     1.424   81.429   81.429
LGA    D    90_B      D    90_B     1.495     0    0.043   0.296     1.796   79.286   77.143
LGA    L    91_B      L    91_B     1.177     0    0.052   0.120     1.510   81.429   80.357
LGA    W    92_B      W    92_B     0.896     0    0.069   0.245     2.133   85.952   79.728
LGA    T    93_B      T    93_B     1.702     0    0.020   0.115     2.149   75.000   72.925
LGA    R    94_B      R    94_B     1.690     0    0.114   1.419     6.507   75.000   60.346
LGA    Y    95_B      Y    95_B     1.374     0    0.022   0.149     1.732   77.143   83.016
LGA    L    96_B      L    96_B     1.748     0    0.043   0.970     4.917   70.833   62.738
LGA    K    97_B      K    97_B     2.251     0    0.066   0.115     3.187   66.786   60.688
LGA    Y    98_B      Y    98_B     1.923     0    0.018   0.100     2.341   66.786   78.810
LGA    R    99_B      R    99_B     2.330     0    0.032   1.331     5.498   60.952   54.502
LGA    E   100_B      E   100_B     2.894     0    0.045   0.190     3.888   53.571   49.365
LGA    Q   101_B      Q   101_B     2.979     0    0.195   0.715     4.579   57.143   48.307
LGA    L   102_B      L   102_B     2.959     0    0.209   1.386     4.622   47.262   49.702
LGA    A   103_B      A   103_B     3.986     0    0.670   0.611     5.709   57.738   50.476
LGA    Q   104_B      Q   104_B     3.190     0    0.519   1.114     7.140   48.810   34.815
LGA    I   105_B      I   105_B     4.921     0    0.124   0.173     6.123   29.048   25.893
LGA    Q   106_B      Q   106_B     5.865     0    0.128   1.090     7.017   17.738   30.635
LGA    P   107_B      P   107_B     7.808     0    0.209   0.451     8.167   10.357    9.524
LGA    S   108_B      S   108_B     8.632     0    0.041   0.612    10.060    2.262    1.587
LGA    Q   109_B      Q   109_B     8.153     0    0.451   0.790     8.641    4.762    5.450
LGA    S   110_B      S   110_B     9.501     0    0.603   0.535    11.954    2.976    1.984
LGA    K   111_B      K   111_B    11.182     0    0.070   0.888    19.653    0.000    0.000
LGA    Q   112_B      Q   112_B     6.840     0    0.707   0.790     8.551    7.024   16.825
LGA    Q   113_B      Q   113_B     8.506     0    0.127   1.014    13.132    5.476    2.910
LGA    D   114_B      D   114_B     6.754     0    0.032   0.113     7.410   16.548   18.571
LGA    Q   115_B      Q   115_B     5.187     0    0.090   1.500    10.025   35.238   21.111
LGA    N   116_B      N   116_B     2.798     0    0.210   0.929     3.847   55.595   53.750
LGA    Y   117_B      Y   117_B     4.486     0    0.120   0.221     9.750   38.690   18.770
LGA    F   118_B      F   118_B     4.845     0    0.038   0.216     8.376   37.381   21.169
LGA    Q   119_B      Q   119_B     2.535     0    0.123   1.133     4.500   59.167   61.323
LGA    K   120_B      K   120_B     2.951     0    0.041   0.762     3.773   50.238   59.418
LGA    V   121_B      V   121_B     4.646     0    0.057   0.107     5.718   34.286   30.136
LGA    F   122_B      F   122_B     3.380     0    0.041   1.214     5.754   48.333   45.671
LGA    N   123_B      N   123_B     3.161     0    0.032   0.964     6.097   50.000   39.940
LGA    S   124_B      S   124_B     4.212     0    0.032   0.693     5.821   40.238   35.635
LGA    I   125_B      I   125_B     3.067     0    0.053   0.127     3.461   55.476   54.524
LGA    Q   126_B      Q   126_B     2.526     0    0.047   1.290     5.951   57.143   48.624
LGA    D   127_B      D   127_B     3.550     0    0.059   1.177     7.035   46.667   34.345
LGA    I   128_B      I   128_B     3.056     0    0.033   0.110     3.514   53.571   51.845
LGA    R   129_B      R   129_B     1.938     0    0.054   0.556     4.413   66.786   64.069
LGA    K   130_B      K   130_B     2.710     0    0.224   1.092     8.693   55.595   38.466
LGA    R   131_B      R   131_B     3.158     0    0.189   1.379     8.462   55.476   38.052
LGA    F   132_B      F   132_B     1.401     0    0.218   0.403     3.598   75.000   63.939
LGA    F   133_B      F   133_B     2.076     0    0.377   0.473     2.517   64.881   74.632
LGA    S   134_B      S   134_B     4.616     0    0.641   0.888     7.439   30.595   25.635
LGA    A   135_B      A   135_B     7.205     0    0.538   0.553     9.051   17.500   14.286
LGA    S   136_B      S   136_B     3.012     0    0.270   0.349     4.241   54.167   63.333
LGA    E   137_B      E   137_B     1.297     0    0.158   0.891     4.857   79.286   62.328
LGA    I   138_B      I   138_B     1.935     0    0.012   0.293     3.257   70.833   64.048
LGA    E   139_B      E   139_B     1.808     0    0.017   0.238     3.315   72.857   66.032
LGA    G   140_B      G   140_B     1.065     0    0.040   0.040     1.699   79.286   79.286
LGA    L   141_B      L   141_B     1.502     0    0.103   0.220     1.873   75.000   81.607
LGA    F   142_B      F   142_B     2.438     0    0.259   0.357     3.740   57.500   67.359
LGA    S   143_B      S   143_B     1.889     0    0.034   0.635     2.895   66.905   67.698
LGA    T   144_B      T   144_B     2.927     0    0.132   0.205     3.535   53.810   56.327
LGA    E   145_B      E   145_B     3.643     0    0.044   0.716     6.307   43.452   32.222
LGA    D   146_B      D   146_B     3.566     0    0.044   1.231     4.117   45.000   50.833
LGA    I   147_B      I   147_B     3.886     0    0.044   1.190     5.424   43.333   38.929
LGA    Y   148_B      Y   148_B     3.542     0    0.017   1.234    11.366   43.333   24.286
LGA    Q   149_B      Q   149_B     3.568     0    0.077   0.630     4.310   41.786   42.698
LGA    N   150_B      N   150_B     4.071     0    0.049   0.927     5.197   37.262   36.607
LGA    Y   151_B      Y   151_B     4.243     0    0.021   0.095     4.515   35.714   39.802
LGA    T   152_B      T   152_B     4.063     0    0.050   0.157     4.872   37.262   38.980
LGA    L   153_B      L   153_B     4.707     0    0.086   1.476     5.932   29.048   30.417
LGA    D   154_B      D   154_B     5.915     0    0.094   0.803     6.616   19.524   18.393
LGA    R   155_B      R   155_B     6.239     0    0.061   1.380     7.340   14.405   16.883
LGA    M   156_B      M   156_B     6.853     0    0.050   0.982     7.921   11.905   15.357
LGA    K   157_B      K   157_B     7.692     0    0.067   0.816     9.082    5.833   11.164
LGA    I   158_B      I   158_B     8.605     0    0.112   0.210     9.848    2.381    3.333
LGA    L   159_B      L   159_B     9.004     0    0.067   0.199     9.832    1.548    2.917
LGA    E   160_B      E   160_B     9.879     0    0.622   1.193    10.228    0.595    1.376
LGA    D   161_B      D   161_B    12.017     0    0.113   1.347    15.241    0.000    0.000
LGA    S   162_B      S   162_B    12.779     0    0.401   0.802    14.871    0.000    0.000
LGA    S   163_B      S   163_B    14.454     0    0.692   0.869    17.883    0.000    0.000
LGA    L   164_B      L   164_B    18.086     0    0.589   0.926    22.191    0.000    0.000
LGA    S   165_B      S   165_B    15.912     0    0.027   0.660    18.099    0.000    0.000
LGA    E   166_B      E   166_B    12.322     0    0.633   0.515    13.416    0.000    0.000
LGA    I   167_B      I   167_B    13.280     0    0.160   1.443    16.173    0.000    0.000
LGA    E   168_B      E   168_B    10.824     0    0.575   1.053    11.141    0.000    1.111
LGA    K   169_B      K   169_B     9.541     0    0.051   0.918    10.524    2.024    1.111
LGA    A   170_B      A   170_B     7.808     0    0.028   0.046     8.407    5.952    6.190
LGA    K   171_B      K   171_B     8.930     0    0.042   0.863    10.813    2.857    1.429
LGA    K   172_B      K   172_B     8.922     0    0.052   0.733    11.711    4.048    1.958
LGA    L   173_B      L   173_B     6.901     0    0.067   1.129     7.737   12.738   12.619
LGA    K   174_B      K   174_B     7.052     0    0.028   0.202     8.992   10.833    7.778
LGA    E   175_B      E   175_B     7.730     0    0.041   0.875    10.355    8.571    5.344
LGA    R   176_B      R   176_B     6.901     0    0.059   1.147    11.024   14.405    8.528
LGA    F   177_B      F   177_B     5.404     0    0.121   1.214    10.539   23.810   15.281
LGA    E   178_B      E   178_B     6.384     0    0.075   0.303     7.033   17.143   14.656
LGA    Q   179_B      Q   179_B     6.186     0    0.056   0.109     9.268   21.667   13.386
LGA    L   180_B      L   180_B     4.289     0    0.061   0.995     4.921   34.286   38.036
LGA    P   181_B      P   181_B     4.262     0    0.142   0.231     4.366   41.905   39.864
LGA    E   182_B      E   182_B     3.337     0    0.036   1.038     7.162   53.810   36.508
LGA    D   183_B      D   183_B     2.893     0    0.053   1.126     6.958   57.262   45.298
LGA    W   184_B      W   184_B     2.310     0    0.040   1.388     7.756   64.881   43.776
LGA    Q   185_B      Q   185_B     2.613     0    0.065   0.862     4.485   60.952   51.958
LGA    E   186_B      E   186_B     2.431     0    0.070   0.810     3.669   66.905   56.825
LGA    N   187_B      N   187_B     1.550     0    0.072   0.810     2.140   77.143   77.262
LGA    L   188_B      L   188_B     1.294     0    0.076   0.167     2.592   79.286   72.083
LGA    Q   189_B      Q   189_B     1.439     0    0.065   0.133     3.196   79.405   68.836
LGA    E   190_B      E   190_B     1.507     0    0.021   1.073     3.409   72.976   75.185
LGA    L   191_B      L   191_B     2.528     0    0.174   0.193     3.941   55.833   53.869
LGA    S   192_B      S   192_B     3.040     0    0.197   0.674     3.329   55.357   56.032
LGA    K   193_B      K   193_B     3.163     0    0.067   1.061     4.597   51.786   45.079
LGA    L   194_B      L   194_B     3.685     0    0.053   0.147     4.917   46.667   40.476
LGA    D   195_B      D   195_B     3.041     0    0.072   0.769     4.458   50.119   50.238
LGA    D   196_B      D   196_B     2.680     0    0.030   0.351     3.554   55.357   54.524
LGA    L   197_B      L   197_B     3.394     0    0.092   1.374     6.031   43.571   36.548
LGA    H   198_B      H   198_B     4.905     0    0.031   1.152     5.714   29.048   40.333
LGA    T   199_B      T   199_B     5.119     0    0.123   1.171     5.756   26.310   27.007
LGA    L   200_B      L   200_B     5.164     0    0.028   0.981     5.639   25.000   26.250
LGA    T   201_B      T   201_B     5.460     0    0.032   0.107     5.870   23.810   24.150
LGA    K   202_B      K   202_B     6.070     0    0.050   0.434     7.020   16.429   30.582
LGA    Q   203_B      Q   203_B     6.630     0    0.114   1.097     9.178   13.452   11.270
LGA    I   204_B      I   204_B     7.460     0    0.036   0.599     8.035    7.976    8.333
LGA    K   205_B      K   205_B     7.515     0    0.181   0.715     8.077    7.857    8.889
LGA    A   206_B      A   206_B     7.636     0    0.182   0.180     8.845    5.476    6.381
LGA    R   207_B      R   207_B     8.066     0    0.180   1.763    11.239    4.881    3.680
LGA    N   208_B      N   208_B     8.507     0    0.099   1.193    10.451    2.738    4.226
LGA    G   209_B      G   209_B     9.045     0    0.092   0.092     9.289    1.786    1.786
LGA    S   210_B      S   210_B    10.078     0    0.072   0.602    12.892    0.595    0.397
LGA    A   211_B      A   211_B     9.041     0    0.064   0.065     9.577    2.381    2.190
LGA    E   212_B      E   212_B     9.717     0    0.028   0.762    12.770    0.952    0.423
LGA    E   213_B      E   213_B     9.645     0    0.038   0.884    12.718    1.667    0.794
LGA    L   214_B      L   214_B     7.209     0    0.030   0.859     8.268   11.310   14.821
LGA    R   215_B      R   215_B     6.631     0    0.040   1.228     9.677   13.452   10.563
LGA    Q   216_B      Q   216_B     8.347     0    0.028   0.844    10.182    5.357    2.804
LGA    M   217_B      M   217_B     7.747     0    0.024   1.356    11.061    9.405    5.655
LGA    R   218_B      R   218_B     4.880     0    0.159   1.823     5.870   28.929   36.667
LGA    T   219_B      T   219_B     5.106     0    0.070   0.998     5.921   25.000   25.578
LGA    A   220_B      A   220_B     6.914     0    0.032   0.052     7.495   14.286   13.429
LGA    L   221_B      L   221_B     6.404     0    0.171   1.451     9.409   18.214   12.381
LGA    V   222_B      V   222_B     4.246     0    0.026   1.309     6.441   40.476   42.177
LGA    G   223_B      G   223_B     3.181     0    0.066   0.066     3.693   51.905   51.905
LGA    A   224_B      A   224_B     2.824     0    0.131   0.162     3.036   59.048   57.238
LGA    E   225_B      E   225_B     1.622     0    0.029   0.947     5.707   72.857   58.307
LGA    A   226_B      A   226_B     2.259     0    0.098   0.123     2.871   66.786   64.857
LGA    T   227_B      T   227_B     3.480     0    0.066   1.220     6.280   48.333   44.422
LGA    Q   228_B      Q   228_B     2.820     0    0.052   0.178     4.624   59.048   50.529
LGA    R   229_B      R   229_B     1.529     0    0.071   0.260     2.184   68.810   72.208
LGA    L   230_B      L   230_B     2.902     0    0.043   0.925     6.938   55.476   41.607
LGA    E   231_B      E   231_B     3.265     0    0.022   0.800     6.921   50.000   33.386
LGA    T   232_B      T   232_B     2.591     0    0.034   1.163     2.736   60.952   60.408
LGA    L   233_B      L   233_B     2.596     0    0.036   1.382     3.900   57.143   52.798
LGA    D   234_B      D   234_B     3.827     0    0.079   0.295     4.386   43.452   43.393
LGA    I   235_B      I   235_B     3.727     0    0.051   1.101     5.250   41.786   40.000
LGA    Q   236_B      Q   236_B     3.366     0    0.033   0.742     3.967   46.667   53.386
LGA    R   237_B      R   237_B     4.416     0    0.055   1.447    14.171   34.286   17.316
LGA    N   238_B      N   238_B     5.259     0    0.075   1.084     8.855   26.310   17.440
LGA    A   239_B      A   239_B     4.059     0    0.158   0.183     4.344   38.690   40.952
LGA    W   240_B      W   240_B     3.768     0    0.041   0.237     6.495   38.810   31.769
LGA    Q   241_B      Q   241_B     6.300     0    0.095   1.149    10.174   18.214    9.471
LGA    Q   242_B      Q   242_B     6.329     0    0.043   1.200    11.401   20.476   10.741
LGA    R   243_B      R   243_B     3.661     0    0.039   1.356     4.442   43.452   56.883
LGA    V   244_B      V   244_B     3.971     0    0.030   0.104     5.148   37.381   34.898
LGA    T   245_B      T   245_B     6.900     0    0.144   0.213     8.958   14.524   10.408
LGA    G   246_B      G   246_B     6.842     0    0.082   0.082     6.842   16.310   16.310
LGA    Y   247_B      Y   247_B     3.784     0    0.054   0.074     4.765   40.357   64.960
LGA    L   248_B      L   248_B     5.106     0    0.088   1.046     9.442   25.119   15.476
LGA    N   249_B      N   249_B     8.041     0    0.043   0.574    10.764    7.500    3.929
LGA    Q   250_B      Q   250_B     6.937     0    0.078   0.945     7.991   16.310   12.540
LGA    R   251_B      R   251_B     3.766     0    0.041   1.025     8.407   37.262   38.355
LGA    D   252_B      D   252_B     6.292     0    0.025   0.993    10.679   15.833    9.762
LGA    E   253_B      E   253_B     8.855     0    0.022   0.712    13.469    4.405    2.011
LGA    V   254_B      V   254_B     6.920     0    0.045   0.945     7.989   14.405   16.190
LGA    L   255_B      L   255_B     4.713     0    0.056   0.185     6.054   24.048   37.321
LGA    H   256_B      H   256_B     9.068     0    0.233   1.384    16.235    2.500    1.000
LGA    S   257_B      S   257_B     9.988     0    0.637   0.584    11.076    1.190    0.794
LGA    N   258_B      N   258_B     8.448     0    0.100   0.923     9.805    2.976    2.262
LGA    M   259_B      M   259_B     8.995     0    0.540   0.978    11.173    3.333    1.905
LGA    S   260_B      S   260_B     7.235     0    0.079   0.099     9.831   10.119    7.302
LGA    D   261_B      D   261_B     6.558     0    0.024   1.024     7.871   10.238    9.821
LGA    S   262_B      S   262_B    10.625     0    0.070   0.614    14.009    0.357    0.238
LGA    A   263_B      A   263_B    10.965     0    0.033   0.051    11.351    0.119    0.095
LGA    K   264_B      K   264_B     6.646     0    0.031   1.279     8.125   12.143   14.339
LGA    K   265_B      K   265_B     7.456     0    0.033   0.147     8.814    6.429    6.138
LGA    Q   266_B      Q   266_B    11.345     0    0.048   0.941    14.914    0.119    0.053
LGA    A   267_B      A   267_B     9.919     0    0.048   0.072    10.102    1.548    1.333
LGA    I   268_B      I   268_B     5.732     0    0.113   0.194     7.178   15.476   29.643
LGA    Q   269_B      Q   269_B     8.895     0    0.049   1.245    11.771    3.214    1.429
LGA    Q   270_B      Q   270_B    10.967     0    0.030   0.866    13.902    0.119    0.053
LGA    L   271_B      L   271_B     7.552     0    0.042   1.431     8.517   10.119   10.655
LGA    R   272_B      R   272_B     5.707     0    0.088   0.855     6.806   17.262   21.861
LGA    Q   273_B      Q   273_B     9.726     0    0.116   1.057    13.745    0.952    0.423
LGA    Q   274_B      Q   274_B     9.848     0    0.237   0.728    11.191    1.310    0.635
LGA    Q   275_B      Q   275_B     5.364     0    0.045   1.200     6.575   28.571   30.317
LGA    F   276_B      F   276_B     5.085     0    0.015   0.185     7.742   18.214   44.632
LGA    S   277_B      S   277_B     8.287     0    0.068   0.616    10.296    4.881    6.905
LGA    S   278_B      S   278_B     9.890     0    0.055   0.612    10.049    1.667    1.190
LGA    S   279_B      S   279_B    11.251     0    0.049   0.748    14.546    0.119    0.079
LGA    Q   280_B      Q   280_B    10.573     0    0.125   0.924    16.028    1.071    0.476
LGA    E   281_B      E   281_B     7.022     0    0.035   0.405     8.258   11.310   17.566
LGA    Q   282_B      Q   282_B     6.664     0    0.073   1.320    11.712   12.500    7.460
LGA    L   283_B      L   283_B     8.512     0    0.101   0.125    11.116    4.881    2.560
LGA    R   284_B      R   284_B     7.852     0    0.047   0.678     9.733    7.857    4.978
LGA    L   285_B      L   285_B     5.512     0    0.068   1.299     6.215   20.357   31.310
LGA    R   286_B      R   286_B     6.448     0    0.038   1.297    12.212   13.571    6.883
LGA    T   287_B      T   287_B     8.336     0    0.071   0.162     9.690    4.881    3.469
LGA    F   288_B      F   288_B     7.319     0    0.044   0.127     8.342   10.000    8.831
LGA    E   289_B      E   289_B     6.409     0    0.076   0.245     7.043   13.452   20.053
LGA    T   290_B      T   290_B     8.083     0    0.039   1.068     9.850    5.119    3.469
LGA    V   291_B      V   291_B     9.338     0    0.577   0.576    10.328    1.548    0.952
LGA    H   292_B      H   292_B     8.507     0    0.454   1.063    10.088    3.333    1.952
LGA    D   293_B      D   293_B     7.956     0    0.438   1.320    10.381    3.571    3.155
LGA    Q   294_B      Q   294_B    13.914     0    0.648   0.834    19.936    0.000    0.000
LGA    G   295_B      G   295_B    14.748     0    0.374   0.374    15.998    0.000    0.000
LGA    G   296_B      G   296_B    14.275     0    0.500   0.500    14.275    0.000    0.000
LGA    E   297_B      E   297_B    15.401     0    0.119   0.728    19.123    0.000    0.000
LGA    L   298_B      L   298_B    14.443     0    0.607   1.501    17.170    0.000    0.000
LGA    P   299_B      P   299_B    16.881     0    0.274   0.418    20.474    0.000    0.000
LGA    F   300_B      F   300_B    13.354     0    0.238   1.355    16.067    0.000    0.736
LGA    N   301_B      N   301_B    14.805     0    0.147   0.481    16.902    0.000    0.060
LGA    Y   302_B      Y   302_B    20.903     0    0.530   1.288    25.828    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      285    1140   1140  100.00    2384   2384  100.00               285
SUMMARY(RMSD_GDC):     6.357          6.333                  6.798           37.798   34.985

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  302  285    4.0    143    2.55    46.579    41.246     5.401

LGA_LOCAL      RMSD:   2.547  Number of atoms:  143  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   6.494  Number of assigned atoms:  285 
Std_ASGN_ATOMS RMSD:   6.357  Standard rmsd on all 285 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.927358 * X  +   0.284167 * Y  +   0.243426 * Z  + -11.622210
  Y_new =  -0.335299 * X  +   0.919861 * Y  +   0.203544 * Z  + -21.278000
  Z_new =  -0.166077 * X  +  -0.270379 * Y  +   0.948321 * Z  + -47.559578 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.346939  0.166850 -0.277744   [DEG:  -19.8782    9.5598  -15.9135 ]
ZXZ:  2.267204  0.322893 -2.590769   [DEG:  129.9012   18.5004 -148.4401 ]
 
# END of job
