
#######################################################
#                                                     #
#                        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  313 ( 2327),  selected  281 , name one
# Molecule2: number of CA atoms  281 ( 1997),  selected  281 , 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:   281       6_B - 313_B       4.02     4.02
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   128      22_B - 149_B       1.99     4.28
  LCS_AVERAGE:     36.70

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   100      51_B - 150_B       1.00     5.21
  LCS_AVERAGE:     23.12

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  281
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     H     6_B     H     6_B      3    4  281      3    3    4    4    4   74   94  220  238  248  250  253  258  261  265  269  271  273  275  276 
LCS_GDT     H     7_B     H     7_B      3   15  281      3    3    4    4    4    7   19  148  179  224  237  253  257  258  262  265  270  273  275  276 
LCS_GDT     T     8_B     T     8_B     13   15  281      4   11   17   58  112  134  153  170  203  231  250  253  257  259  262  267  271  273  275  276 
LCS_GDT     K     9_B     K     9_B     13   15  281      4   11   35   58  100  134  153  171  192  231  250  253  257  259  262  267  271  273  275  276 
LCS_GDT     I    10_B     I    10_B     13   15  281     17   64   95  114  132  156  197  229  238  248  250  254  258  261  266  269  271  273  275  276 
LCS_GDT     T    11_B     T    11_B     13   15  281      6   64   96  119  138  167  208  232  239  248  250  254  258  261  266  269  271  273  275  276 
LCS_GDT     N    12_B     N    12_B     13   15  281      6   11   95  116  138  167  208  232  239  248  250  254  258  261  266  269  271  273  275  276 
LCS_GDT     S    13_B     S    13_B     13   33  281      6   11   96  119  149  187  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     I    14_B     I    14_B     13   33  281     14   76   98  119  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     V    15_B     V    15_B     13   33  281      6   76   98  119  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     N    16_B     N    16_B     13   33  281     52   76   98  119  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     L    17_B     L    17_B     13   52  281      5   75   96  119  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     I    18_B     I    18_B     29   52  281     12   71  109  126  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     G    19_B     G    19_B     29   52  281      5   37  116  127  133  146  210  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     N    20_B     N    20_B     29   52  281      9   99  117  127  133  146  211  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     T    21_B     T    21_B     29   52  281     73  100  117  127  144  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     P    22_B     P    22_B     29  128  281     67  100  117  127  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     I    23_B     I    23_B     29  128  281     65  100  117  127  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     V    24_B     V    24_B     29  128  281     76  100  117  127  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     K    25_B     K    25_B     29  128  281     76  100  117  127  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     L    26_B     L    26_B     29  128  281     76  100  117  127  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     N    27_B     N    27_B     29  128  281     76  100  117  127  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     R    28_B     R    28_B     29  128  281     76  100  117  127  147  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     V    29_B     V    29_B     29  128  281     76  100  117  127  147  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     V    30_B     V    30_B     29  128  281     76  100  117  127  148  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     P    31_B     P    31_B     29  128  281     73  100  117  127  144  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     E    32_B     E    32_B     29  128  281     73  100  117  127  141  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     D    33_B     D    33_B     29  128  281     76  100  117  127  133  173  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     A    34_B     A    34_B     29  128  281     76  100  117  127  141  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     A    35_B     A    35_B     29  128  281     76  100  117  127  144  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     D    36_B     D    36_B     29  128  281     76  100  117  127  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     V    37_B     V    37_B     29  128  281     76  100  117  127  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     Y    38_B     Y    38_B     29  128  281     76  100  117  127  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     V    39_B     V    39_B     29  128  281     76  100  117  127  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     K    40_B     K    40_B     29  128  281     76  100  117  127  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     L    41_B     L    41_B     29  128  281     76  100  117  127  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     E    42_B     E    42_B     29  128  281     76  100  117  127  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     F    43_B     F    43_B     29  128  281     67  100  117  127  145  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     F    44_B     F    44_B     29  128  281     21   96  114  127  133  163  210  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     N    45_B     N    45_B     29  128  281     43   93  113  127  133  140  198  229  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     P    46_B     P    46_B     29  128  281      9   19   34  125  133  139  146  185  233  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     G    47_B     G    47_B     33  128  281     17   71   91  111  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     G    48_B     G    48_B     33  128  281      4   23   31   54   99  160  210  229  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     S    49_B     S    49_B     33  128  281      4   27   61   92  127  181  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     I    50_B     I    50_B     33  128  281      3   27   57   91  127  181  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     K    51_B     K    51_B    100  128  281      8   21   63   94  115  175  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     D    52_B     D    52_B    100  128  281     29   73   94  114  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     R    53_B     R    53_B    100  128  281     18   75   98  119  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     I    54_B     I    54_B    100  128  281      9   39   84  114  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     A    55_B     A    55_B    100  128  281      9   48   88  114  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     L    56_B     L    56_B    100  128  281     55   76   98  119  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     A    57_B     A    57_B    100  128  281     29   76   98  119  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     M    58_B     M    58_B    100  128  281     25   75   98  119  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     I    59_B     I    59_B    100  128  281     55   76   98  119  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     E    60_B     E    60_B    100  128  281     55   76   98  119  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     E    61_B     E    61_B    100  128  281     49   76   98  119  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     A    62_B     A    62_B    100  128  281     55   76   98  119  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     E    63_B     E    63_B    100  128  281     54   76   98  119  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     K    64_B     K    64_B    100  128  281     48   76   98  119  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     A    65_B     A    65_B    100  128  281     55   76   98  119  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     G    66_B     G    66_B    100  128  281     48   76   98  119  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     K    67_B     K    67_B    100  128  281     55   76   98  119  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     L    68_B     L    68_B    100  128  281     55   76   98  119  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     Q    69_B     Q    69_B    100  128  281     55   76   98  119  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     A    70_B     A    70_B    100  128  281     55   76   98  119  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     G    71_B     G    71_B    100  128  281     55   76   98  119  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     G    72_B     G    72_B    100  128  281     55   76   98  119  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     T    73_B     T    73_B    100  128  281     55   76   98  119  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     I    74_B     I    74_B    100  128  281     55   76   98  119  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     V    75_B     V    75_B    100  128  281     55   76   98  119  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     E    76_B     E    76_B    100  128  281     55   76   98  119  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     P    77_B     P    77_B    100  128  281     55   76   98  119  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     T    78_B     T    78_B    100  128  281     55   76   98  119  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     S    79_B     S    79_B    100  128  281     35   76   98  119  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     G    80_B     G    80_B    100  128  281     21   45   95  119  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     N    81_B     N    81_B    100  128  281     21   56  109  123  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     T    82_B     T    82_B    100  128  281     21   49  103  123  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     G    83_B     G    83_B    100  128  281     21   68   98  119  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     V    84_B     V    84_B    100  128  281     23   70   98  119  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     G    85_B     G    85_B    100  128  281     23   66   96  119  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     L    86_B     L    86_B    100  128  281     21   66   96  119  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     A    87_B     A    87_B    100  128  281     44   76   98  119  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     M    88_B     M    88_B    100  128  281     43   76   96  119  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     V    89_B     V    89_B    100  128  281     21   73   96  119  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     A    90_B     A    90_B    100  128  281     25   74   96  119  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     A    91_B     A    91_B    100  128  281     47   76   98  119  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     A    92_B     A    92_B    100  128  281     32   74   96  119  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     K    93_B     K    93_B    100  128  281     21   74   96  119  149  187  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     G    94_B     G    94_B    100  128  281     39   76   96  119  149  187  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     Y    95_B     Y    95_B    100  128  281     52   76   98  119  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     H    96_B     H    96_B    100  128  281     51   76   98  119  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     L    97_B     L    97_B    100  128  281     55   76   98  119  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     V    98_B     V    98_B    100  128  281     55   76   98  119  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     I    99_B     I    99_B    100  128  281     55   76   98  119  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     T   100_B     T   100_B    100  128  281     55   76   98  119  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     M   101_B     M   101_B    100  128  281     55   76   98  119  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     P   102_B     P   102_B    100  128  281     55   76   98  119  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     E   103_B     E   103_B    100  128  281     55   76   98  119  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     T   104_B     T   104_B    100  128  281     55   76   98  119  147  186  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     M   105_B     M   105_B    100  128  281     13   76   96  119  147  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     S   106_B     S   106_B    100  128  281      3    9   67  116  147  181  211  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     V   107_B     V   107_B    100  128  281      5   26   91  118  147  186  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     E   108_B     E   108_B    100  128  281      8   38   91  112  138  175  210  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     R   109_B     R   109_B    100  128  281      7   65   98  119  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     R   110_B     R   110_B    100  128  281     55   76   98  119  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     K   111_B     K   111_B    100  128  281     52   76   98  119  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     L   112_B     L   112_B    100  128  281     52   76   98  119  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     M   113_B     M   113_B    100  128  281     52   76   98  119  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     Q   114_B     Q   114_B    100  128  281     55   76   98  119  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     G   115_B     G   115_B    100  128  281     52   76   98  119  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     Y   116_B     Y   116_B    100  128  281     55   76   98  119  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     G   117_B     G   117_B    100  128  281     55   76   98  119  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     A   118_B     A   118_B    100  128  281     55   76   98  119  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     E   119_B     E   119_B    100  128  281     55   76   98  119  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     L   120_B     L   120_B    100  128  281     55   76   98  119  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     I   121_B     I   121_B    100  128  281     55   76   98  119  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     L   122_B     L   122_B    100  128  281     55   76   98  119  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     T   123_B     T   123_B    100  128  281     55   76   98  119  149  186  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     P   124_B     P   124_B    100  128  281     55   76   98  119  147  182  210  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     G   125_B     G   125_B    100  128  281     52   76   98  119  147  181  210  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     A   126_B     A   126_B    100  128  281     32   76   96  118  144  168  197  223  238  245  250  253  258  262  266  269  271  273  275  276 
LCS_GDT     D   127_B     D   127_B    100  128  281     55   76   98  119  147  181  210  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     G   128_B     G   128_B    100  128  281     55   76   98  119  147  186  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     M   129_B     M   129_B    100  128  281     55   76   98  119  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     K   130_B     K   130_B    100  128  281     55   76   98  119  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     G   131_B     G   131_B    100  128  281     55   76   98  119  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     A   132_B     A   132_B    100  128  281     55   76   98  119  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     I   133_B     I   133_B    100  128  281     55   76   98  119  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     A   134_B     A   134_B    100  128  281     55   76   98  119  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     K   135_B     K   135_B    100  128  281     55   76   98  119  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     A   136_B     A   136_B    100  128  281     55   76   98  119  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     E   137_B     E   137_B    100  128  281     55   76   98  119  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     E   138_B     E   138_B    100  128  281     55   76   98  119  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     L   139_B     L   139_B    100  128  281     55   76   98  119  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     V   140_B     V   140_B    100  128  281     55   76   98  119  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     K   141_B     K   141_B    100  128  281     55   76   98  119  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     E   142_B     E   142_B    100  128  281     43   76   98  119  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     K   143_B     K   143_B    100  128  281     43   76   98  119  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     G   144_B     G   144_B    100  128  281     47   76   98  119  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     Y   145_B     Y   145_B    100  128  281     55   76   98  119  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     F   146_B     F   146_B    100  128  281     55   76   98  119  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     M   147_B     M   147_B    100  128  281     55   76   98  119  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     P   148_B     P   148_B    100  128  281     55   76   98  119  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     M   149_B     M   149_B    100  128  281      4   27   83  114  147  186  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     Q   150_B     Q   150_B    100  123  281      8   58   87  106  142  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     F   151_B     F   151_B     97  123  281      3    8   50  107  147  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     D   152_B     D   152_B      6  122  281     10   34   55   72   94  143  199  230  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     N   153_B     N   153_B      6  120  281      4    6   33   51   72   96  134  148  194  211  246  254  258  262  266  269  271  273  275  276 
LCS_GDT     P   154_B     P   154_B      6  119  281      4   13   35   48   58   91  105  137  174  211  235  251  257  262  266  269  271  273  275  276 
LCS_GDT     A   155_B     A   155_B      6  110  281      4    6    6    7   10   12   27   30   69   83   97  117  146  178  204  245  254  270  271  274 
LCS_GDT     H   160_B     H   160_B      4   18  281      3    4    5    7   17   20   25   27   34   44   53   88  108  148  228  256  261  267  270  276 
LCS_GDT     E   161_B     E   161_B      4   18  281      3    4    5   16   22   30   51  111  165  201  221  241  253  262  266  269  271  273  275  276 
LCS_GDT     E   162_B     E   162_B     12   18  281      3    6   20   37   62   86  109  136  192  229  241  251  258  262  266  269  271  273  275  276 
LCS_GDT     T   163_B     T   163_B     12   18  281      9   11   14   18   32   55   80  114  155  195  218  235  254  262  266  269  271  273  275  276 
LCS_GDT     T   164_B     T   164_B     12   18  281      9   11   14   18   22   27   44   70  103  154  203  228  244  255  265  269  270  273  275  276 
LCS_GDT     G   165_B     G   165_B     12   18  281      9   11   14   18   35   57   90  143  192  217  235  251  257  262  266  269  271  273  275  276 
LCS_GDT     K   166_B     K   166_B     12   18  281      9   11   14   33   53   82  129  176  208  238  246  254  258  262  266  269  271  273  275  276 
LCS_GDT     E   167_B     E   167_B     12   18  281      9   11   28   46   55   75   99  140  148  168  202  234  254  262  266  269  271  273  275  276 
LCS_GDT     I   168_B     I   168_B     12   45  281      9   11   14   22   49   72   97  129  146  152  177  228  246  262  266  269  271  273  275  276 
LCS_GDT     L   169_B     L   169_B     12   45  281      9   16   43   96  125  138  141  146  162  215  235  251  257  262  266  269  271  273  275  276 
LCS_GDT     E   170_B     E   170_B     12   45  281      9   17   50   95  121  137  141  144  151  164  187  227  248  262  266  269  271  273  275  276 
LCS_GDT     A   171_B     A   171_B     12   45  281      9   11   14   29   57   93  121  137  145  150  155  165  184  226  258  267  270  273  275  276 
LCS_GDT     F   172_B     F   172_B     12   45  281      9   11   14   22   62   99  123  139  145  150  158  174  221  249  260  268  271  273  275  276 
LCS_GDT     G   173_B     G   173_B     12   45  281      6   11   17   37   49   84  124  137  145  150  155  164  201  239  258  267  270  273  275  276 
LCS_GDT     D   174_B     D   174_B      5   45  281      4    6   14   32   49   81  111  137  145  150  155  164  175  200  239  264  269  273  275  276 
LCS_GDT     D   175_B     D   175_B      5   45  281      4    7   17   37   59   99  130  142  146  151  177  217  245  256  265  269  271  273  275  276 
LCS_GDT     I   176_B     I   176_B     37   45  281      9   79  108  127  133  138  150  215  235  244  249  254  258  262  266  269  271  273  275  276 
LCS_GDT     P   177_B     P   177_B     37   45  281     68  100  117  127  134  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     D   178_B     D   178_B     37   45  281     76  100  117  127  143  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     A   179_B     A   179_B     37   45  281     76  100  117  127  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     F   180_B     F   180_B     37   45  281     76  100  117  127  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     V   181_B     V   181_B     37   45  281     76  100  117  127  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     A   182_B     A   182_B     37   45  281     76  100  117  127  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     G   183_B     G   183_B     37   45  281     28   89  117  127  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     V   184_B     V   184_B     37   45  281     25   83  113  127  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     G   185_B     G   185_B     37   45  281     18   66   96  124  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     T   186_B     T   186_B     37   45  281      5   24   62  101  130  138  181  214  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     G   187_B     G   187_B     37   45  281      5   51  112  127  140  183  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     G   188_B     G   188_B     37   45  281      6   35   81  115  130  140  200  230  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     T   189_B     T   189_B     37  101  281      6   35   56  100  130  176  212  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     L   190_B     L   190_B     37  101  281     18   51  117  127  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     T   191_B     T   191_B     37  101  281     16   76  116  127  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     G   192_B     G   192_B     37  101  281     18   52  112  127  142  185  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     V   193_B     V   193_B     37  101  281     16   68  117  127  145  187  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     G   194_B     G   194_B     37  101  281     18   92  117  127  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     H   195_B     H   195_B     37  101  281     18   86  117  127  146  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     A   196_B     A   196_B     37  101  281     19   97  117  127  141  185  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     L   197_B     L   197_B     37  101  281     44  100  117  127  143  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     K   198_B     K   198_B     37  101  281     36   99  117  127  146  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     K   199_B     K   199_B     37  101  281     20   98  117  127  145  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     A   200_B     A   200_B     37  101  281     37   99  117  127  140  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     N   201_B     N   201_B     37  101  281     37   99  117  127  143  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     P   202_B     P   202_B     37  101  281     20   99  117  127  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     N   203_B     N   203_B     37  101  281     48   99  117  127  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     V   204_B     V   204_B     37  101  281     72  100  117  127  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     Q   205_B     Q   205_B     37  101  281     76  100  117  127  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     I   206_B     I   206_B     37  101  281     76  100  117  127  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     Y   207_B     Y   207_B     37  101  281     76  100  117  127  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     A   208_B     A   208_B     37  101  281     76  100  117  127  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     L   209_B     L   209_B     37  101  281     73  100  117  127  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     E   210_B     E   210_B     37  101  281     73  100  117  127  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     P   211_B     P   211_B     37  101  281     34   95  117  127  141  186  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     A   212_B     A   212_B     37  101  281     25   93  114  127  141  178  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     P   236_B     P   236_B      3  101  281      0    3    3    7    8   23   34   49   81  136  147  151  155  165  175  187  196  242  252  271 
LCS_GDT     K   237_B     K   237_B      3  101  281      0    3    3    3    4    9   32   89  101  116  128  148  153  165  174  193  227  242  252  271 
LCS_GDT     V   238_B     V   238_B      5  101  281      3    5    6   10   15   29   40   80   92  105  120  128  153  158  174  185  214  226  234  271 
LCS_GDT     L   239_B     L   239_B      5  101  281      5    7   16   32   62  115  139  142  150  165  191  208  254  260  266  269  271  273  275  276 
LCS_GDT     D   240_B     D   240_B     74  101  281      5   10   71  102  129  138  153  174  196  236  245  254  258  262  266  269  271  273  275  276 
LCS_GDT     T   241_B     T   241_B     74  101  281      6   59  109  127  140  177  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     D   242_B     D   242_B     74  101  281     65  100  117  127  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     V   243_B     V   243_B     74  101  281     21   99  117  127  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     Y   244_B     Y   244_B     74  101  281     65  100  117  127  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     N   245_B     N   245_B     74  101  281     37  100  117  127  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     G   246_B     G   246_B     74  101  281     26  100  117  127  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     I   247_B     I   247_B     74  101  281     76  100  117  127  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     L   248_B     L   248_B     74  101  281     76  100  117  127  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     E   249_B     E   249_B     74  101  281     73  100  117  127  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     I   250_B     I   250_B     74  101  281     76  100  117  127  147  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     K   251_B     K   251_B     74  101  281     76  100  117  127  133  177  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     S   252_B     S   252_B     74  101  281     76  100  117  127  133  165  211  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     D   253_B     D   253_B     74  101  281     76  100  117  127  133  154  205  231  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     D   254_B     D   254_B     74  101  281     76  100  117  127  133  177  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     A   255_B     A   255_B     74  101  281     76  100  117  127  141  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     I   256_B     I   256_B     74  101  281     76  100  117  127  133  165  211  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     T   257_B     T   257_B     74  101  281     76  100  117  127  133  165  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     M   258_B     M   258_B     74  101  281     76  100  117  127  147  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     A   259_B     A   259_B     74  101  281     76  100  117  127  144  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     R   260_B     R   260_B     74  101  281     76  100  117  127  133  177  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     E   261_B     E   261_B     74  101  281     76  100  117  127  141  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     V   262_B     V   262_B     74  101  281     76  100  117  127  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     G   263_B     G   263_B     74  101  281     76  100  117  127  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     H   264_B     H   264_B     74  101  281     76  100  117  127  141  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     Q   265_B     Q   265_B     74  101  281     76  100  117  127  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     E   266_B     E   266_B     74  101  281     76  100  117  127  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     G   267_B     G   267_B     74  101  281     76  100  117  127  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     I   268_B     I   268_B     74  101  281     76  100  117  127  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     L   269_B     L   269_B     74  101  281     76  100  117  127  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     V   270_B     V   270_B     74  101  281     56  100  117  127  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     G   271_B     G   271_B     74  101  281     66  100  117  127  133  165  211  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     I   272_B     I   272_B     74  101  281     76  100  117  127  133  177  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     S   273_B     S   273_B     74  101  281     76  100  117  127  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     A   274_B     A   274_B     74  101  281     76  100  117  127  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     G   275_B     G   275_B     74  101  281     76  100  117  127  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     A   276_B     A   276_B     74  101  281     76  100  117  127  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     N   277_B     N   277_B     74  101  281     76  100  117  127  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     I   278_B     I   278_B     74  101  281     76  100  117  127  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     K   279_B     K   279_B     74  101  281     76  100  117  127  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     G   280_B     G   280_B     74  101  281     76  100  117  127  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     A   281_B     A   281_B     74  101  281     76  100  117  127  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     I   282_B     I   282_B     74  101  281     76  100  117  127  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     E   283_B     E   283_B     74  101  281     76  100  117  127  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     V   284_B     V   284_B     74  101  281     76  100  117  127  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     A   285_B     A   285_B     74  101  281     76  100  117  127  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     K   286_B     K   286_B     74  101  281     76  100  117  127  147  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     K   287_B     K   287_B     74  101  281     76  100  117  127  147  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     L   288_B     L   288_B     74  101  281     76  100  117  127  144  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     G   289_B     G   289_B     74  101  281     76  100  117  127  133  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     K   290_B     K   290_B     74  101  281     76  100  117  127  133  165  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     G   291_B     G   291_B     74  101  281     76  100  117  127  133  158  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     K   292_B     K   292_B     74  101  281     76  100  117  127  133  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     Q   293_B     Q   293_B     74  101  281     76  100  117  127  143  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     V   294_B     V   294_B     74  101  281     76  100  117  127  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     I   295_B     I   295_B     74  101  281     76  100  117  127  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     T   296_B     T   296_B     74  101  281     76  100  117  127  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     V   297_B     V   297_B     74  101  281     76  100  117  127  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     A   298_B     A   298_B     74  101  281     76  100  117  127  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     P   299_B     P   299_B     74  101  281     76  100  117  127  149  189  213  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     D   300_B     D   300_B     74  101  281     18   96  116  127  133  152  197  230  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     G   301_B     G   301_B     74  101  281     42  100  117  127  133  164  211  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     G   302_B     G   302_B     74  101  281     64  100  117  127  133  164  211  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     D   303_B     D   303_B     74  101  281     61  100  117  127  133  164  211  232  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     R   304_B     R   304_B     74  101  281     50   99  117  127  133  140  197  229  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     Y   305_B     Y   305_B     74  101  281     64  100  117  127  133  140  164  229  238  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     L   306_B     L   306_B     74  101  281     64  100  117  127  133  140  194  229  239  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     S   307_B     S   307_B     74  101  281     64  100  117  127  133  139  149  171  235  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     T   308_B     T   308_B     74  101  281      9   82  114  127  133  139  144  162  197  241  249  254  258  262  266  269  271  273  275  276 
LCS_GDT     E   309_B     E   309_B     74  101  281      9   43   96  124  133  139  144  162  175  222  247  254  258  262  266  269  271  273  275  276 
LCS_GDT     L   310_B     L   310_B     74  101  281      8   79  112  127  133  139  153  181  220  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     F   311_B     F   311_B     74  101  281      8   97  117  127  133  140  157  194  236  248  250  254  258  262  266  269  271  273  275  276 
LCS_GDT     N   312_B     N   312_B     74  101  281      4   18   95  124  133  139  144  162  187  226  247  254  258  262  266  269  271  273  275  276 
LCS_GDT     Y   313_B     Y   313_B     74  101  281      4   19   31   49  118  138  148  162  187  226  247  254  258  262  266  269  271  273  275  276 
LCS_AVERAGE  LCS_A:  53.27  (  23.12   36.70  100.00 )

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     76    100    117    127    149    189    213    232    239    248    250    254    258    262    266    269    271    273    275    276 
GDT PERCENT_AT  27.05  35.59  41.64  45.20  53.02  67.26  75.80  82.56  85.05  88.26  88.97  90.39  91.81  93.24  94.66  95.73  96.44  97.15  97.86  98.22
GDT RMS_LOCAL    3.64   0.46   0.69   0.83   1.62   2.03   2.21   2.39   2.48   2.65   2.70   2.84   2.92   3.19   3.25   3.35   3.41   3.48   3.58   3.64
GDT RMS_ALL_AT   6.56   6.57   6.30   6.38   4.22   4.12   4.11   4.10   4.09   4.09   4.10   4.07   4.06   4.03   4.03   4.03   4.03   4.03   4.03   4.03

# Checking swapping
#   possible swapping detected:  D    33_B      D    33_B
#   possible swapping detected:  F    43_B      F    43_B
#   possible swapping detected:  E    60_B      E    60_B
#   possible swapping detected:  E    63_B      E    63_B
#   possible swapping detected:  Y    95_B      Y    95_B
#   possible swapping detected:  E   138_B      E   138_B
#   possible swapping detected:  F   146_B      F   146_B
#   possible swapping detected:  F   151_B      F   151_B
#   possible swapping detected:  E   162_B      E   162_B
#   possible swapping detected:  E   167_B      E   167_B
#   possible swapping detected:  F   172_B      F   172_B
#   possible swapping detected:  F   180_B      F   180_B
#   possible swapping detected:  E   210_B      E   210_B
#   possible swapping detected:  D   242_B      D   242_B
#   possible swapping detected:  Y   244_B      Y   244_B
#   possible swapping detected:  D   253_B      D   253_B
#   possible swapping detected:  E   283_B      E   283_B
#   possible swapping detected:  D   300_B      D   300_B
#   possible swapping detected:  D   303_B      D   303_B
#   possible swapping detected:  Y   313_B      Y   313_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    H     6_B      H     6_B     5.184     0    0.624   1.071     8.775   26.548   15.762
LGA    H     7_B      H     7_B     7.865     0    0.498   1.224    13.559   10.119    4.143
LGA    T     8_B      T     8_B     7.726     0    0.612   0.876    11.091    8.571    5.986
LGA    K     9_B      K     9_B     7.532     4    0.047   0.115     8.498   12.143    5.926
LGA    I    10_B      I    10_B     5.131     0    0.048   0.593     7.296   23.810   22.381
LGA    T    11_B      T    11_B     4.088     0    0.029   0.053     4.256   40.238   42.517
LGA    N    12_B      N    12_B     3.941     0    0.064   1.117     6.541   43.333   35.833
LGA    S    13_B      S    13_B     2.789     0    0.064   0.109     3.234   59.167   58.492
LGA    I    14_B      I    14_B     1.417     0    0.047   0.080     1.946   79.286   82.619
LGA    V    15_B      V    15_B     0.957     0    0.038   0.299     1.993   83.690   80.272
LGA    N    16_B      N    16_B     2.484     0    0.022   0.085     3.768   61.190   54.762
LGA    L    17_B      L    17_B     2.600     0    0.115   0.148     3.285   60.952   57.262
LGA    I    18_B      I    18_B     2.308     0    0.045   0.080     3.024   59.167   67.143
LGA    G    19_B      G    19_B     4.151     0    0.679   0.679     4.624   37.262   37.262
LGA    N    20_B      N    20_B     3.995     0    0.057   0.260     5.034   43.452   40.476
LGA    T    21_B      T    21_B     3.185     0    0.029   0.146     3.944   50.119   48.163
LGA    P    22_B      P    22_B     1.973     0    0.019   0.083     2.301   70.833   70.544
LGA    I    23_B      I    23_B     1.628     0    0.099   0.090     3.129   77.143   68.155
LGA    V    24_B      V    24_B     1.218     0    0.089   1.071     3.662   81.429   72.517
LGA    K    25_B      K    25_B     1.393     0    0.024   0.147     2.876   81.429   72.222
LGA    L    26_B      L    26_B     1.317     0    0.027   0.065     1.815   77.143   79.286
LGA    N    27_B      N    27_B     2.210     0    0.030   0.166     2.929   64.881   64.821
LGA    R    28_B      R    28_B     2.597     0    0.060   1.348     7.692   57.262   46.364
LGA    V    29_B      V    29_B     2.610     0    0.054   0.067     2.701   59.048   62.653
LGA    V    30_B      V    30_B     2.447     0    0.023   1.365     3.870   59.048   57.483
LGA    P    31_B      P    31_B     3.019     0    0.014   0.048     3.175   53.571   53.061
LGA    E    32_B      E    32_B     3.232     4    0.056   0.072     3.504   50.000   27.037
LGA    D    33_B      D    33_B     3.799     0    0.023   0.556     5.030   43.333   39.643
LGA    A    34_B      A    34_B     3.119     0    0.007   0.014     3.385   50.000   51.429
LGA    A    35_B      A    35_B     2.750     0    0.022   0.047     2.901   60.952   60.190
LGA    D    36_B      D    36_B     2.121     0    0.058   0.148     3.153   68.810   63.036
LGA    V    37_B      V    37_B     1.258     0    0.059   0.099     1.641   79.286   81.497
LGA    Y    38_B      Y    38_B     1.272     0    0.024   0.215     3.339   83.690   67.381
LGA    V    39_B      V    39_B     1.085     0    0.046   0.058     1.415   81.429   84.014
LGA    K    40_B      K    40_B     1.941     0    0.032   0.512     4.253   68.810   57.196
LGA    L    41_B      L    41_B     2.094     0    0.041   0.057     2.800   64.881   67.857
LGA    E    42_B      E    42_B     2.650     0    0.118   0.980     5.968   59.048   48.942
LGA    F    43_B      F    43_B     3.277     0    0.027   0.252     4.026   48.452   48.961
LGA    F    44_B      F    44_B     4.223     0    0.242   0.751     6.285   30.952   43.203
LGA    N    45_B      N    45_B     4.509     0    0.102   1.027     5.578   38.929   34.643
LGA    P    46_B      P    46_B     5.866     0    0.028   0.198     8.217   26.548   19.184
LGA    G    47_B      G    47_B     2.479     0    0.159   0.159     5.312   51.429   51.429
LGA    G    48_B      G    48_B     4.033     0    0.092   0.092     5.627   38.214   38.214
LGA    S    49_B      S    49_B     3.312     0    0.064   0.068     3.373   50.000   50.000
LGA    I    50_B      I    50_B     3.310     0    0.178   1.127     5.691   51.786   48.274
LGA    K    51_B      K    51_B     3.398     2    0.163   0.785     3.780   48.333   39.048
LGA    D    52_B      D    52_B     2.596     0    0.035   0.238     3.826   65.000   56.726
LGA    R    53_B      R    53_B     0.763     0    0.105   0.938     7.029   83.690   54.632
LGA    I    54_B      I    54_B     2.207     0    0.087   1.359     5.466   66.786   55.179
LGA    A    55_B      A    55_B     2.550     0    0.059   0.073     2.929   62.857   61.714
LGA    L    56_B      L    56_B     1.403     0    0.051   0.159     1.787   79.286   82.619
LGA    A    57_B      A    57_B     1.319     0    0.073   0.068     1.428   81.429   81.429
LGA    M    58_B      M    58_B     1.590     0    0.083   0.242     2.513   72.857   68.869
LGA    I    59_B      I    59_B     1.308     0    0.043   0.643     2.444   81.429   79.345
LGA    E    60_B      E    60_B     1.256     0    0.009   0.136     1.348   81.429   81.429
LGA    E    61_B      E    61_B     1.222     0    0.032   1.313     4.361   81.429   65.397
LGA    A    62_B      A    62_B     1.229     0    0.021   0.033     1.394   81.429   81.429
LGA    E    63_B      E    63_B     1.480     0    0.019   0.190     1.889   81.429   77.619
LGA    K    64_B      K    64_B     1.514     4    0.039   0.050     1.528   79.286   43.333
LGA    A    65_B      A    65_B     1.284     0    0.073   0.085     1.477   81.429   81.429
LGA    G    66_B      G    66_B     1.467     0    0.146   0.146     1.546   79.286   79.286
LGA    K    67_B      K    67_B     1.278     4    0.073   0.098     1.378   81.429   45.238
LGA    L    68_B      L    68_B     1.347     0    0.020   0.143     1.613   77.143   80.417
LGA    Q    69_B      Q    69_B     2.087     4    0.060   0.112     2.752   70.833   37.831
LGA    A    70_B      A    70_B     1.738     0    0.071   0.085     1.931   72.857   72.857
LGA    G    71_B      G    71_B     1.609     0    0.066   0.066     1.781   72.857   72.857
LGA    G    72_B      G    72_B     1.537     0    0.030   0.030     1.563   75.000   75.000
LGA    T    73_B      T    73_B     1.495     0    0.039   0.050     1.845   79.286   77.755
LGA    I    74_B      I    74_B     1.072     0    0.021   0.109     1.312   81.429   83.690
LGA    V    75_B      V    75_B     1.136     0    0.030   0.089     1.553   83.690   81.497
LGA    E    76_B      E    76_B     0.981     0    0.042   0.197     1.090   83.690   87.460
LGA    P    77_B      P    77_B     1.314     0    0.034   0.079     1.540   81.429   80.204
LGA    T    78_B      T    78_B     1.336     0    0.191   0.379     2.045   77.262   77.823
LGA    S    79_B      S    79_B     1.143     0    0.707   0.633     3.212   73.571   74.762
LGA    G    80_B      G    80_B     1.847     0    0.013   0.013     1.847   72.857   72.857
LGA    N    81_B      N    81_B     2.107     3    0.098   0.123     2.746   64.762   39.524
LGA    T    82_B      T    82_B     2.305     0    0.061   0.203     2.963   68.810   63.810
LGA    G    83_B      G    83_B     1.152     0    0.031   0.031     1.432   83.690   83.690
LGA    V    84_B      V    84_B     1.430     0    0.016   0.094     1.935   79.286   76.531
LGA    G    85_B      G    85_B     2.026     0    0.022   0.022     2.029   68.810   68.810
LGA    L    86_B      L    86_B     1.719     0    0.023   1.337     2.810   72.857   72.083
LGA    A    87_B      A    87_B     1.093     0    0.012   0.028     1.278   81.429   83.238
LGA    M    88_B      M    88_B     1.691     0    0.078   0.947     2.321   75.000   72.976
LGA    V    89_B      V    89_B     2.342     0    0.031   0.038     2.683   64.762   62.585
LGA    A    90_B      A    90_B     1.975     0    0.024   0.047     2.330   68.810   69.619
LGA    A    91_B      A    91_B     1.636     0    0.025   0.038     2.219   68.810   71.333
LGA    A    92_B      A    92_B     2.582     0    0.115   0.107     2.669   59.048   58.667
LGA    K    93_B      K    93_B     2.791     0    0.029   0.783     3.015   55.357   62.540
LGA    G    94_B      G    94_B     2.579     0    0.118   0.118     2.579   60.952   60.952
LGA    Y    95_B      Y    95_B     1.637     0    0.035   0.154     1.876   72.857   75.714
LGA    H    96_B      H    96_B     1.458     0    0.017   1.461     7.067   79.286   50.952
LGA    L    97_B      L    97_B     0.940     0    0.023   0.107     1.052   88.214   89.345
LGA    V    98_B      V    98_B     1.194     0    0.047   0.074     1.349   81.429   81.429
LGA    I    99_B      I    99_B     1.068     0    0.020   0.653     1.979   81.429   82.619
LGA    T   100_B      T   100_B     1.451     0    0.032   0.047     1.625   77.143   75.306
LGA    M   101_B      M   101_B     1.710     0    0.035   0.343     1.886   72.857   75.000
LGA    P   102_B      P   102_B     2.139     0    0.017   0.253     2.241   64.762   65.918
LGA    E   103_B      E   103_B     2.380     0    0.034   0.221     3.566   62.857   56.561
LGA    T   104_B      T   104_B     2.700     0    0.032   0.046     3.096   57.143   55.102
LGA    M   105_B      M   105_B     2.748     0    0.106   1.136     3.954   51.905   58.631
LGA    S   106_B      S   106_B     3.271     0    0.412   0.674     5.211   57.262   47.778
LGA    V   107_B      V   107_B     3.366     0    0.641   0.654     4.558   46.667   41.769
LGA    E   108_B      E   108_B     3.846     0    0.061   1.431     6.696   50.238   36.085
LGA    R   109_B      R   109_B     1.710     4    0.062   0.645     2.359   77.381   48.052
LGA    R   110_B      R   110_B     1.144     0    0.142   1.102     4.093   81.429   69.134
LGA    K   111_B      K   111_B     1.566     0    0.044   0.485     4.004   79.286   66.561
LGA    L   112_B      L   112_B     1.102     0    0.043   1.356     4.004   85.952   69.464
LGA    M   113_B      M   113_B     0.675     0    0.006   0.220     1.624   90.476   88.274
LGA    Q   114_B      Q   114_B     0.741     0    0.025   0.102     1.672   90.476   83.545
LGA    G   115_B      G   115_B     0.633     0    0.016   0.016     0.704   92.857   92.857
LGA    Y   116_B      Y   116_B     0.497     0    0.064   0.074     1.486   92.857   88.254
LGA    G   117_B      G   117_B     0.633     0    0.054   0.054     1.146   88.214   88.214
LGA    A   118_B      A   118_B     0.728     0    0.071   0.084     1.175   88.214   88.667
LGA    E   119_B      E   119_B     1.259     0    0.048   0.635     2.646   81.429   75.873
LGA    L   120_B      L   120_B     1.322     0    0.065   0.337     2.016   75.119   77.202
LGA    I   121_B      I   121_B     1.607     1    0.017   0.049     1.800   75.000   64.821
LGA    L   122_B      L   122_B     1.888     0    0.030   0.081     2.170   68.810   71.905
LGA    T   123_B      T   123_B     2.540     0    0.036   0.105     2.697   59.048   58.231
LGA    P   124_B      P   124_B     3.140     0    0.028   0.129     3.537   51.786   50.068
LGA    G   125_B      G   125_B     3.358     0    0.053   0.053     3.742   46.667   46.667
LGA    A   126_B      A   126_B     4.400     0    0.020   0.046     4.754   37.143   36.000
LGA    D   127_B      D   127_B     3.198     0    0.043   0.422     4.529   51.905   48.690
LGA    G   128_B      G   128_B     2.817     0    0.046   0.046     2.982   59.048   59.048
LGA    M   129_B      M   129_B     2.272     0    0.079   0.557     3.206   62.857   60.060
LGA    K   130_B      K   130_B     2.511     4    0.025   0.083     2.526   62.857   34.286
LGA    G   131_B      G   131_B     2.483     0    0.036   0.036     2.544   62.857   62.857
LGA    A   132_B      A   132_B     1.862     0    0.031   0.051     2.126   70.833   71.238
LGA    I   133_B      I   133_B     1.691     0    0.038   0.096     1.843   72.857   72.857
LGA    A   134_B      A   134_B     2.207     0    0.035   0.047     2.493   64.762   64.762
LGA    K   135_B      K   135_B     2.054     0    0.031   0.661     2.173   66.786   70.317
LGA    A   136_B      A   136_B     1.609     0    0.015   0.025     1.792   72.857   74.571
LGA    E   137_B      E   137_B     1.705     2    0.042   0.082     1.943   72.857   56.667
LGA    E   138_B      E   138_B     2.019     0    0.061   0.727     4.305   70.833   58.942
LGA    L   139_B      L   139_B     1.677     0    0.024   0.110     1.801   72.857   72.857
LGA    V   140_B      V   140_B     1.773     0    0.106   0.143     2.090   72.857   71.701
LGA    K   141_B      K   141_B     2.064     4    0.050   0.072     2.335   66.786   36.878
LGA    E   142_B      E   142_B     1.881     4    0.023   0.087     1.982   72.857   40.476
LGA    K   143_B      K   143_B     1.746     4    0.038   0.055     1.817   72.857   40.476
LGA    G   144_B      G   144_B     1.874     0    0.025   0.025     1.874   72.857   72.857
LGA    Y   145_B      Y   145_B     1.608     0    0.054   0.100     1.793   75.000   75.000
LGA    F   146_B      F   146_B     1.119     0    0.029   0.094     1.207   81.429   84.719
LGA    M   147_B      M   147_B     1.004     0    0.016   0.117     1.243   83.690   82.560
LGA    P   148_B      P   148_B     1.068     0    0.642   0.715     2.631   77.619   80.544
LGA    M   149_B      M   149_B     2.872     3    0.348   0.368     3.258   62.976   37.738
LGA    Q   150_B      Q   150_B     3.064     4    0.699   0.636     4.906   50.357   25.873
LGA    F   151_B      F   151_B     2.704     0    0.101   1.271    11.408   66.905   28.788
LGA    D   152_B      D   152_B     4.404     3    0.158   0.172     6.320   34.405   19.345
LGA    N   153_B      N   153_B     7.390     3    0.109   0.134     8.350   13.690    7.440
LGA    P   154_B      P   154_B     8.321     0    0.223   0.229    10.631    2.857    1.905
LGA    A   155_B      A   155_B    12.881     0    0.582   0.579    14.708    0.000    0.000
LGA    H   160_B      H   160_B    12.414     5    0.637   0.626    13.210    0.000    0.000
LGA    E   161_B      E   161_B     8.614     0    0.161   0.785     9.807    4.405    5.450
LGA    E   162_B      E   162_B     7.159     0    0.160   0.989     7.965   10.119   10.106
LGA    T   163_B      T   163_B     8.842     0    0.143   1.185    10.460    2.976    2.789
LGA    T   164_B      T   164_B     9.689     0    0.059   0.156    10.566    1.548    0.884
LGA    G   165_B      G   165_B     7.599     0    0.041   0.041     8.249    7.976    7.976
LGA    K   166_B      K   166_B     6.889     4    0.022   0.082     7.651    9.405    6.085
LGA    E   167_B      E   167_B     9.290     0    0.085   0.898    10.024    2.024    1.587
LGA    I   168_B      I   168_B     9.411     0    0.025   0.047    10.117    1.786    1.310
LGA    L   169_B      L   169_B     7.764     0    0.023   1.162     8.633    4.881   11.310
LGA    E   170_B      E   170_B     9.284     0    0.044   0.870    10.460    1.071    1.429
LGA    A   171_B      A   171_B    11.185     0    0.068   0.075    11.899    0.000    0.000
LGA    F   172_B      F   172_B    10.136     0    0.126   0.149    10.284    0.000    0.649
LGA    G   173_B      G   173_B    10.726     0    0.658   0.658    10.726    0.119    0.119
LGA    D   174_B      D   174_B    11.480     0    0.136   0.275    14.749    0.000    0.000
LGA    D   175_B      D   175_B     9.344     0    0.249   0.422    10.152    2.262    1.726
LGA    I   176_B      I   176_B     5.387     0    0.087   0.624     7.024   25.595   25.893
LGA    P   177_B      P   177_B     3.315     0    0.137   0.422     4.252   48.571   47.415
LGA    D   178_B      D   178_B     2.767     0    0.032   0.276     4.874   60.952   52.381
LGA    A   179_B      A   179_B     1.871     0    0.057   0.053     2.235   70.833   71.238
LGA    F   180_B      F   180_B     1.624     0    0.009   0.234     2.322   77.143   72.208
LGA    V   181_B      V   181_B     1.101     0    0.019   0.071     1.317   81.429   84.014
LGA    A   182_B      A   182_B     1.745     0    0.111   0.134     2.103   72.857   71.238
LGA    G   183_B      G   183_B     1.609     0    0.123   0.123     1.675   79.405   79.405
LGA    V   184_B      V   184_B     1.914     0    0.171   1.118     3.769   68.810   64.082
LGA    G   185_B      G   185_B     2.594     0    0.079   0.079     3.958   52.143   52.143
LGA    T   186_B      T   186_B     5.145     0    0.071   0.102     6.646   29.048   24.014
LGA    G   187_B      G   187_B     3.531     0    0.095   0.095     3.898   45.000   45.000
LGA    G   188_B      G   188_B     4.734     0    0.110   0.110     4.734   34.286   34.286
LGA    T   189_B      T   189_B     4.001     0    0.032   0.142     4.587   41.905   39.048
LGA    L   190_B      L   190_B     2.383     0    0.032   0.299     2.825   62.857   65.893
LGA    T   191_B      T   191_B     2.800     0    0.077   0.128     3.530   55.357   52.109
LGA    G   192_B      G   192_B     3.613     0    0.009   0.009     3.613   46.667   46.667
LGA    V   193_B      V   193_B     3.268     0    0.048   0.089     3.456   51.786   51.020
LGA    G   194_B      G   194_B     2.426     0    0.045   0.045     2.663   62.857   62.857
LGA    H   195_B      H   195_B     2.889     0    0.019   0.330     3.285   53.571   55.810
LGA    A   196_B      A   196_B     3.615     0    0.041   0.044     3.887   46.667   46.000
LGA    L   197_B      L   197_B     3.147     0    0.019   0.078     3.766   51.786   51.845
LGA    K   198_B      K   198_B     2.697     0    0.081   0.395     2.758   57.143   65.026
LGA    K   199_B      K   199_B     3.054     2    0.085   0.530     4.313   53.571   37.619
LGA    A   200_B      A   200_B     3.248     0    0.025   0.043     3.348   50.000   50.000
LGA    N   201_B      N   201_B     3.011     0    0.030   0.148     3.938   53.571   50.952
LGA    P   202_B      P   202_B     2.352     0    0.098   0.114     2.630   62.857   61.497
LGA    N   203_B      N   203_B     2.317     0    0.031   1.109     3.216   64.762   61.071
LGA    V   204_B      V   204_B     2.313     0    0.041   1.011     4.027   68.810   58.980
LGA    Q   205_B      Q   205_B     1.809     0    0.041   0.934     3.454   72.857   70.317
LGA    I   206_B      I   206_B     1.685     0    0.017   0.052     2.178   75.000   71.905
LGA    Y   207_B      Y   207_B     1.316     0    0.046   0.079     1.475   81.429   83.690
LGA    A   208_B      A   208_B     1.920     0    0.021   0.022     2.196   72.857   71.238
LGA    L   209_B      L   209_B     1.990     0    0.025   0.253     2.640   68.810   68.869
LGA    E   210_B      E   210_B     2.583     0    0.032   0.369     2.698   59.048   63.175
LGA    P   211_B      P   211_B     3.133     0    0.098   0.295     3.486   51.786   51.020
LGA    A   212_B      A   212_B     3.390     0    0.573   0.514     3.478   50.000   50.000
LGA    P   236_B      P   236_B    14.492     0    0.494   0.754    15.694    0.000    0.000
LGA    K   237_B      K   237_B    14.870     0    0.522   0.724    19.464    0.000    0.000
LGA    V   238_B      V   238_B    14.783     0    0.578   0.920    17.226    0.000    0.000
LGA    L   239_B      L   239_B     8.950     0    0.162   1.426    11.039    2.143    7.738
LGA    D   240_B      D   240_B     7.327     0    0.056   1.095     8.362   16.905   12.202
LGA    T   241_B      T   241_B     3.788     0    0.150   0.207     5.750   49.881   39.796
LGA    D   242_B      D   242_B     2.779     0    0.161   0.167     4.398   59.167   52.143
LGA    V   243_B      V   243_B     2.084     0    0.152   0.175     2.368   68.810   71.769
LGA    Y   244_B      Y   244_B     1.534     0    0.074   0.994     5.293   79.405   62.500
LGA    N   245_B      N   245_B     1.324     0    0.023   0.197     1.738   79.286   78.214
LGA    G   246_B      G   246_B     1.464     0    0.075   0.075     1.464   81.429   81.429
LGA    I   247_B      I   247_B     1.244     0    0.038   0.082     1.561   81.429   78.214
LGA    L   248_B      L   248_B     1.159     0    0.016   0.078     1.762   77.143   82.679
LGA    E   249_B      E   249_B     2.061     0    0.142   0.426     3.556   66.786   64.180
LGA    I   250_B      I   250_B     2.712     0    0.035   0.097     3.180   53.571   59.226
LGA    K   251_B      K   251_B     3.700     2    0.029   0.111     4.334   45.000   33.069
LGA    S   252_B      S   252_B     4.087     0    0.012   0.579     5.290   38.690   36.349
LGA    D   253_B      D   253_B     4.383     0    0.028   0.974     7.591   37.143   26.786
LGA    D   254_B      D   254_B     3.485     0    0.030   0.484     4.244   48.333   44.286
LGA    A   255_B      A   255_B     3.053     0    0.050   0.059     3.299   50.000   50.000
LGA    I   256_B      I   256_B     3.966     0    0.011   0.091     4.823   43.333   38.095
LGA    T   257_B      T   257_B     3.888     0    0.027   0.102     4.463   45.000   41.633
LGA    M   258_B      M   258_B     2.814     0    0.015   0.817     3.485   55.357   58.214
LGA    A   259_B      A   259_B     2.947     0    0.054   0.055     3.170   55.357   54.286
LGA    R   260_B      R   260_B     3.529     0    0.023   1.361     9.599   48.333   28.745
LGA    E   261_B      E   261_B     3.079     0    0.021   0.179     3.714   53.571   48.624
LGA    V   262_B      V   262_B     2.056     0    0.011   0.054     2.360   66.786   67.075
LGA    G   263_B      G   263_B     2.461     0    0.047   0.047     2.537   62.857   62.857
LGA    H   264_B      H   264_B     2.934     0    0.115   0.232     4.109   57.143   49.619
LGA    Q   265_B      Q   265_B     2.503     0    0.070   1.053     4.652   60.952   57.143
LGA    E   266_B      E   266_B     1.531     0    0.040   0.135     1.816   77.143   78.571
LGA    G   267_B      G   267_B     1.468     0    0.047   0.047     1.512   79.286   79.286
LGA    I   268_B      I   268_B     1.353     0    0.059   0.127     2.052   75.119   80.536
LGA    L   269_B      L   269_B     2.439     0    0.060   0.113     3.416   62.976   57.381
LGA    V   270_B      V   270_B     2.754     0    0.047   0.059     3.462   53.571   56.190
LGA    G   271_B      G   271_B     3.734     0    0.050   0.050     3.734   46.667   46.667
LGA    I   272_B      I   272_B     3.565     0    0.029   0.224     5.030   48.452   43.095
LGA    S   273_B      S   273_B     2.925     0    0.117   0.577     3.233   55.357   53.571
LGA    A   274_B      A   274_B     2.059     0    0.019   0.050     2.306   68.810   68.000
LGA    G   275_B      G   275_B     2.215     0    0.023   0.023     2.215   64.762   64.762
LGA    A   276_B      A   276_B     2.331     0    0.021   0.036     2.634   66.786   64.857
LGA    N   277_B      N   277_B     1.679     0    0.039   0.090     2.163   77.143   72.976
LGA    I   278_B      I   278_B     1.325     0    0.042   0.101     1.507   79.286   80.357
LGA    K   279_B      K   279_B     1.852     0    0.010   0.173     3.674   72.857   62.646
LGA    G   280_B      G   280_B     1.283     0    0.014   0.014     1.500   81.429   81.429
LGA    A   281_B      A   281_B     0.770     0    0.025   0.041     1.150   88.214   88.667
LGA    I   282_B      I   282_B     1.530     0    0.036   0.095     2.160   72.976   71.905
LGA    E   283_B      E   283_B     1.834     0    0.100   0.170     2.270   70.833   71.958
LGA    V   284_B      V   284_B     1.363     0    0.022   0.036     1.938   77.143   80.272
LGA    A   285_B      A   285_B     1.824     0    0.025   0.053     2.496   68.810   69.619
LGA    K   286_B      K   286_B     2.624     0    0.032   0.343     4.143   57.262   54.180
LGA    K   287_B      K   287_B     2.674     2    0.114   0.189     3.088   55.357   47.090
LGA    L   288_B      L   288_B     2.898     0    0.018   0.170     3.645   51.905   55.476
LGA    G   289_B      G   289_B     3.515     0    0.016   0.016     3.589   46.667   46.667
LGA    K   290_B      K   290_B     3.815     2    0.032   0.497     4.287   41.786   33.175
LGA    G   291_B      G   291_B     3.960     0    0.036   0.036     3.989   43.333   43.333
LGA    K   292_B      K   292_B     3.408     0    0.019   0.659     4.313   48.333   47.302
LGA    Q   293_B      Q   293_B     2.667     0    0.054   0.738     6.237   57.262   43.598
LGA    V   294_B      V   294_B     1.593     0    0.018   0.035     1.850   77.143   78.980
LGA    I   295_B      I   295_B     1.542     0    0.044   1.301     4.211   77.143   71.726
LGA    T   296_B      T   296_B     1.203     0    0.048   0.117     1.379   81.429   84.014
LGA    V   297_B      V   297_B     1.826     0    0.039   0.095     2.038   72.857   71.701
LGA    A   298_B      A   298_B     2.039     0    0.042   0.042     2.666   64.881   66.476
LGA    P   299_B      P   299_B     3.006     0    0.023   0.198     4.135   48.810   53.469
LGA    D   300_B      D   300_B     4.452     0    0.076   0.127     6.412   43.452   35.060
LGA    G   301_B      G   301_B     3.906     0    0.043   0.043     4.418   38.690   38.690
LGA    G   302_B      G   302_B     4.148     0    0.076   0.076     4.528   37.262   37.262
LGA    D   303_B      D   303_B     4.184     0    0.171   0.618     5.474   32.976   35.893
LGA    R   304_B      R   304_B     5.199     6    0.041   0.062     5.798   26.310   11.948
LGA    Y   305_B      Y   305_B     5.510     0    0.069   0.217     5.855   22.619   26.310
LGA    L   306_B      L   306_B     5.462     0    0.052   0.161     6.059   20.476   23.333
LGA    S   307_B      S   307_B     6.874     0    0.152   0.637     8.228   11.310   10.873
LGA    T   308_B      T   308_B     7.362     0    0.008   0.145     7.362   10.833   10.952
LGA    E   309_B      E   309_B     7.680     3    0.107   0.688     9.145    8.571    4.497
LGA    L   310_B      L   310_B     6.083     0    0.053   0.106     6.737   18.333   22.321
LGA    F   311_B      F   311_B     5.763     0    0.409   0.536     5.972   22.619   27.879
LGA    N   312_B      N   312_B     7.730     0    0.511   1.067    12.817    9.286    4.821
LGA    Y   313_B      Y   313_B     7.293     0    0.628   0.485     8.939    7.500   15.040

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      281    1124   1124  100.00    1997   1997  100.00               281
SUMMARY(RMSD_GDC):     4.023          3.994                  4.288           56.884   53.512

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  313  281    4.0    232    2.39    64.769    60.782     9.310

LGA_LOCAL      RMSD:   2.392  Number of atoms:  232  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   4.103  Number of assigned atoms:  281 
Std_ASGN_ATOMS RMSD:   4.023  Standard rmsd on all 281 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.040264 * X  +   0.992412 * Y  +  -0.116179 * Z  +   5.771013
  Y_new =   0.508023 * X  +  -0.079790 * Y  +  -0.857640 * Z  +   9.106934
  Z_new =  -0.860402 * X  +  -0.093554 * Y  +  -0.500955 * Z  +  19.519154 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.649888  1.036058 -2.956969   [DEG:   94.5316   59.3618 -169.4218 ]
ZXZ: -0.134644  2.095498 -1.679103   [DEG:   -7.7145  120.0632  -96.2055 ]
 
# END of job
