
#######################################################
#                                                     #
#                        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       3.91     3.91
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   142      10_B - 151_B       1.99     4.16
  LCS_AVERAGE:     40.59

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   100      51_B - 150_B       0.98     4.84
  LONGEST_CONTINUOUS_SEGMENT:   100      52_B - 151_B       0.99     4.79
  LCS_AVERAGE:     23.29

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    3    4    5   85  159  230  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     H     7_B     H     7_B      3   15  281      3    3    3    4    4    6   12   48  173  204  230  254  258  259  263  266  270  276  276  276 
LCS_GDT     T     8_B     T     8_B     12   15  281      3    9   16   29  106  136  149  177  207  239  251  255  258  261  266  269  271  276  276  276 
LCS_GDT     K     9_B     K     9_B     12   15  281      3   12   16   20   85  136  149  181  207  245  251  255  258  261  266  269  271  276  276  276 
LCS_GDT     I    10_B     I    10_B     12  142  281     15   49   96  120  137  179  212  234  242  247  253  257  260  262  268  269  272  276  276  276 
LCS_GDT     T    11_B     T    11_B     12  142  281     17   67  100  125  154  189  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     N    12_B     N    12_B     12  142  281      6   49  100  125  154  188  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     S    13_B     S    13_B     12  142  281      6   12  101  127  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     I    14_B     I    14_B     12  142  281     55   81  103  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     V    15_B     V    15_B     12  142  281     50   79  103  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     N    16_B     N    16_B     12  142  281     52   81  103  127  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     L    17_B     L    17_B     27  142  281      6   77  103  127  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     I    18_B     I    18_B     29  142  281     16   84  114  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     G    19_B     G    19_B     29  142  281      4   52  117  127  133  155  212  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     N    20_B     N    20_B     29  142  281      9  101  117  127  133  155  218  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     T    21_B     T    21_B     29  142  281     78  102  117  127  145  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     P    22_B     P    22_B     29  142  281     65  102  117  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     I    23_B     I    23_B     29  142  281     63  102  117  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     V    24_B     V    24_B     29  142  281     78  102  117  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     K    25_B     K    25_B     29  142  281     78  102  117  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     L    26_B     L    26_B     29  142  281     78  102  117  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     N    27_B     N    27_B     29  142  281     78  102  117  127  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     R    28_B     R    28_B     29  142  281     78  102  117  127  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     V    29_B     V    29_B     29  142  281     78  102  117  127  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     V    30_B     V    30_B     29  142  281     78  102  117  127  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     P    31_B     P    31_B     29  142  281     71  102  117  127  164  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     E    32_B     E    32_B     29  142  281     56  102  117  127  164  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     D    33_B     D    33_B     29  142  281     76  102  117  127  134  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     A    34_B     A    34_B     29  142  281     78  102  117  127  162  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     A    35_B     A    35_B     29  142  281     78  102  117  127  164  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     D    36_B     D    36_B     29  142  281     78  102  117  127  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     V    37_B     V    37_B     29  142  281     78  102  117  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     Y    38_B     Y    38_B     29  142  281     78  102  117  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     V    39_B     V    39_B     29  142  281     78  102  117  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     K    40_B     K    40_B     29  142  281     78  102  117  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     L    41_B     L    41_B     29  142  281     78  102  117  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     E    42_B     E    42_B     29  142  281     78  102  117  127  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     F    43_B     F    43_B     29  142  281     59  102  117  127  152  195  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     F    44_B     F    44_B     29  142  281      4   93  115  126  134  165  212  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     N    45_B     N    45_B     29  142  281     55   94  114  126  133  147  212  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     P    46_B     P    46_B     29  142  281      4   19   65  125  133  140  149  189  238  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     G    47_B     G    47_B     33  142  281     27   73   95  120  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     G    48_B     G    48_B     33  142  281      4   19   43   72  108  173  217  233  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     S    49_B     S    49_B     33  142  281     15   27   74   98  136  193  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     I    50_B     I    50_B     99  142  281      3   27   60   96  121  193  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     K    51_B     K    51_B    100  142  281      7   22   75   98  122  193  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     D    52_B     D    52_B    100  142  281     19   75   97  120  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     R    53_B     R    53_B    100  142  281     21   79  103  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     I    54_B     I    54_B    100  142  281      9   39   87  125  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     A    55_B     A    55_B    100  142  281      9   62   92  122  161  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     L    56_B     L    56_B    100  142  281     50   81  103  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     A    57_B     A    57_B    100  142  281     15   79  103  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     M    58_B     M    58_B    100  142  281     17   74  100  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     I    59_B     I    59_B    100  142  281     48   81  103  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     E    60_B     E    60_B    100  142  281     50   81  103  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     E    61_B     E    61_B    100  142  281     43   81  103  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     A    62_B     A    62_B    100  142  281     52   81  103  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     E    63_B     E    63_B    100  142  281     50   81  103  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     K    64_B     K    64_B    100  142  281     47   81  103  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     A    65_B     A    65_B    100  142  281     50   81  103  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     G    66_B     G    66_B    100  142  281     52   81  103  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     K    67_B     K    67_B    100  142  281     55   81  103  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     L    68_B     L    68_B    100  142  281     55   81  103  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     Q    69_B     Q    69_B    100  142  281     52   81  103  127  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     A    70_B     A    70_B    100  142  281     55   81  103  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     G    71_B     G    71_B    100  142  281     55   81  103  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     G    72_B     G    72_B    100  142  281     55   81  103  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     T    73_B     T    73_B    100  142  281     55   81  103  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     I    74_B     I    74_B    100  142  281     55   81  103  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     V    75_B     V    75_B    100  142  281     55   81  103  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     E    76_B     E    76_B    100  142  281     55   81  103  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     P    77_B     P    77_B    100  142  281     55   81  103  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     T    78_B     T    78_B    100  142  281     55   81  103  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     S    79_B     S    79_B    100  142  281     39   81  103  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     G    80_B     G    80_B    100  142  281      7   42   97  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     N    81_B     N    81_B    100  142  281     15   70  110  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     T    82_B     T    82_B    100  142  281     15   56  110  126  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     G    83_B     G    83_B    100  142  281     17   69  103  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     V    84_B     V    84_B    100  142  281     20   72  103  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     G    85_B     G    85_B    100  142  281     20   69  103  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     L    86_B     L    86_B    100  142  281     20   69  103  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     A    87_B     A    87_B    100  142  281     42   81  103  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     M    88_B     M    88_B    100  142  281     36   81  103  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     V    89_B     V    89_B    100  142  281     20   73  100  127  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     A    90_B     A    90_B    100  142  281     20   81  103  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     A    91_B     A    91_B    100  142  281     49   81  103  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     A    92_B     A    92_B    100  142  281     20   77  100  126  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     K    93_B     K    93_B    100  142  281     20   73  100  125  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     G    94_B     G    94_B    100  142  281     25   81  100  126  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     Y    95_B     Y    95_B    100  142  281     52   81  103  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     H    96_B     H    96_B    100  142  281     55   81  103  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     L    97_B     L    97_B    100  142  281     55   81  103  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     V    98_B     V    98_B    100  142  281     55   81  103  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     I    99_B     I    99_B    100  142  281     55   81  103  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     T   100_B     T   100_B    100  142  281     55   81  103  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     M   101_B     M   101_B    100  142  281     55   81  103  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     P   102_B     P   102_B    100  142  281     55   81  103  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     E   103_B     E   103_B    100  142  281     55   81  103  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     T   104_B     T   104_B    100  142  281     55   81  103  129  164  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     M   105_B     M   105_B    100  142  281     40   81  103  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     S   106_B     S   106_B    100  142  281      3   14   94  125  164  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     V   107_B     V   107_B    100  142  281      3   62  100  129  164  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     E   108_B     E   108_B    100  142  281     15   58   99  125  154  196  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     R   109_B     R   109_B    100  142  281     12   70  103  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     R   110_B     R   110_B    100  142  281     55   81  103  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     K   111_B     K   111_B    100  142  281     55   81  103  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     L   112_B     L   112_B    100  142  281     55   81  103  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     M   113_B     M   113_B    100  142  281     55   81  103  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     Q   114_B     Q   114_B    100  142  281     55   81  103  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     G   115_B     G   115_B    100  142  281     55   81  103  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     Y   116_B     Y   116_B    100  142  281     55   81  103  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     G   117_B     G   117_B    100  142  281     55   81  103  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     A   118_B     A   118_B    100  142  281     55   81  103  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     E   119_B     E   119_B    100  142  281     55   81  103  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     L   120_B     L   120_B    100  142  281     55   81  103  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     I   121_B     I   121_B    100  142  281     55   81  103  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     L   122_B     L   122_B    100  142  281     55   81  103  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     T   123_B     T   123_B    100  142  281     55   81  103  129  164  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     P   124_B     P   124_B    100  142  281     55   81  103  127  164  195  224  235  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     G   125_B     G   125_B    100  142  281     55   81  103  127  164  199  224  235  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     A   126_B     A   126_B    100  142  281     36   81  100  125  153  188  216  233  242  247  251  257  260  263  268  269  272  276  276  276 
LCS_GDT     D   127_B     D   127_B    100  142  281     55   81  103  129  164  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     G   128_B     G   128_B    100  142  281     55   81  103  129  164  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     M   129_B     M   129_B    100  142  281     55   81  103  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     K   130_B     K   130_B    100  142  281     55   81  103  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     G   131_B     G   131_B    100  142  281     55   81  103  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     A   132_B     A   132_B    100  142  281     55   81  103  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     I   133_B     I   133_B    100  142  281     55   81  103  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     A   134_B     A   134_B    100  142  281     55   81  103  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     K   135_B     K   135_B    100  142  281     55   81  103  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     A   136_B     A   136_B    100  142  281     55   81  103  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     E   137_B     E   137_B    100  142  281     55   81  103  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     E   138_B     E   138_B    100  142  281     55   81  103  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     L   139_B     L   139_B    100  142  281     55   81  103  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     V   140_B     V   140_B    100  142  281     55   81  103  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     K   141_B     K   141_B    100  142  281     55   81  103  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     E   142_B     E   142_B    100  142  281     37   81  103  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     K   143_B     K   143_B    100  142  281     40   81  103  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     G   144_B     G   144_B    100  142  281     43   81  103  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     Y   145_B     Y   145_B    100  142  281     55   81  103  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     F   146_B     F   146_B    100  142  281     55   81  103  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     M   147_B     M   147_B    100  142  281     55   81  103  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     P   148_B     P   148_B    100  142  281     46   81  103  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     M   149_B     M   149_B    100  142  281      4   28   86  120  158  198  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     Q   150_B     Q   150_B    100  142  281      7   41   83  106  154  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     F   151_B     F   151_B    100  142  281      3    9   53  125  164  198  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     D   152_B     D   152_B      6  141  281      8   34   58   73   94  144  218  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     N   153_B     N   153_B      6  123  281      4   17   42   53   76  128  137  153  206  222  246  257  260  263  268  269  272  276  276  276 
LCS_GDT     P   154_B     P   154_B      6  121  281      4   14   34   49   60   93  110  140  166  216  242  252  260  263  268  269  272  276  276  276 
LCS_GDT     A   155_B     A   155_B      6  110  281      4    6    7    9   10   12   14   30   71   83   97  116  153  180  209  251  259  270  273  276 
LCS_GDT     H   160_B     H   160_B      4   18  281      3    4    5    7   17   20   25   27   32   43   52   87  104  154  230  256  264  269  273  276 
LCS_GDT     E   161_B     E   161_B      4   18  281      3    4    5   16   21   31   56  115  174  212  230  245  255  263  268  269  272  276  276  276 
LCS_GDT     E   162_B     E   162_B     12   18  281      3    6   24   45   65   93  113  161  207  233  246  255  260  263  268  269  272  276  276  276 
LCS_GDT     T   163_B     T   163_B     12   18  281      8   11   14   18   32   54   84  121  163  204  226  242  255  263  268  269  272  276  276  276 
LCS_GDT     T   164_B     T   164_B     12   18  281      9   11   14   18   22   28   44   72  105  159  211  234  248  257  265  269  272  276  276  276 
LCS_GDT     G   165_B     G   165_B     12   18  281      9   11   14   18   34   59  107  161  205  224  240  252  260  263  268  269  272  276  276  276 
LCS_GDT     K   166_B     K   166_B     12   18  281      9   11   14   31   51   81  132  181  215  238  247  257  260  263  268  269  272  276  276  276 
LCS_GDT     E   167_B     E   167_B     12   18  281      9   11   28   46   56   75   99  140  147  168  207  239  257  263  268  269  272  276  276  276 
LCS_GDT     I   168_B     I   168_B     12   18  281      9   11   14   24   48   68   98  132  145  152  179  228  250  262  268  269  272  276  276  276 
LCS_GDT     L   169_B     L   169_B     12   44  281      9   15   43   92  124  137  141  145  162  210  241  254  260  263  268  269  272  276  276  276 
LCS_GDT     E   170_B     E   170_B     12   44  281      9   15   42   90  120  136  140  144  149  163  182  238  249  262  268  269  272  276  276  276 
LCS_GDT     A   171_B     A   171_B     12   44  281      9   11   14   29   61   99  117  137  145  150  154  164  183  216  255  267  272  276  276  276 
LCS_GDT     F   172_B     F   172_B     12   44  281      9   11   14   22   57   99  122  138  145  150  158  175  232  245  264  269  272  276  276  276 
LCS_GDT     G   173_B     G   173_B     12   44  281      7   11   16   34   47   83  119  138  143  150  154  164  194  245  255  267  272  276  276  276 
LCS_GDT     D   174_B     D   174_B      5   44  281      4    6   14   30   47   74  108  134  143  150  154  164  175  194  255  261  270  276  276  276 
LCS_GDT     D   175_B     D   175_B      5   44  281      4    7   14   34   59   95  127  141  145  151  171  208  246  257  268  269  272  276  276  276 
LCS_GDT     I   176_B     I   176_B     37   44  281      9   81  109  126  133  140  165  224  240  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     P   177_B     P   177_B     37   44  281     77  102  117  127  154  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     D   178_B     D   178_B     37   44  281     78  102  117  127  164  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     A   179_B     A   179_B     37   44  281     78  102  117  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     F   180_B     F   180_B     37   44  281     78  102  117  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     V   181_B     V   181_B     37   44  281     78  102  117  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     A   182_B     A   182_B     37   44  281     77  102  117  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     G   183_B     G   183_B     37   44  281     25   96  117  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     V   184_B     V   184_B     37   44  281     25   96  117  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     G   185_B     G   185_B     37   44  281     18   69  100  125  164  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     T   186_B     T   186_B     37   44  281      4   18   43   87  127  137  143  186  238  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     G   187_B     G   187_B     37   44  281      5   51  108  127  150  197  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     G   188_B     G   188_B     37   44  281      6   35   72  116  131  143  206  234  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     T   189_B     T   189_B     37  101  281      6   35   58  101  143  195  223  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     L   190_B     L   190_B     37  101  281     18   57  117  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     T   191_B     T   191_B     37  101  281     18   81  117  127  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     G   192_B     G   192_B     37  101  281     18   57  113  127  158  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     V   193_B     V   193_B     37  101  281     18   79  117  127  162  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     G   194_B     G   194_B     37  101  281     18   98  117  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     H   195_B     H   195_B     37  101  281     18   98  117  127  164  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     A   196_B     A   196_B     37  101  281     21  102  117  127  156  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     L   197_B     L   197_B     37  101  281     61  102  117  127  164  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     K   198_B     K   198_B     37  101  281     31  102  117  127  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     K   199_B     K   199_B     37  101  281     15  101  117  127  164  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     A   200_B     A   200_B     37  101  281     31  102  117  127  163  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     N   201_B     N   201_B     37  101  281     35  102  117  127  164  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     P   202_B     P   202_B     37  101  281     18  102  117  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     N   203_B     N   203_B     37  101  281     40  102  117  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     V   204_B     V   204_B     37  101  281     75  102  117  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     Q   205_B     Q   205_B     37  101  281     78  102  117  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     I   206_B     I   206_B     37  101  281     78  102  117  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     Y   207_B     Y   207_B     37  101  281     78  102  117  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     A   208_B     A   208_B     37  101  281     78  102  117  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     L   209_B     L   209_B     37  101  281     76  102  117  127  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     E   210_B     E   210_B     37  101  281     77  102  117  127  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     P   211_B     P   211_B     37  101  281     32  102  117  127  158  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     A   212_B     A   212_B     37  101  281     22   86  117  127  154  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     P   236_B     P   236_B      3  101  281      0    3    3    6    8   19   37   52   80  128  143  151  155  165  174  185  194  209  241  271 
LCS_GDT     K   237_B     K   237_B      3  101  281      0    3    4    4    5    8   61   81   92  108  117  145  155  165  174  185  207  225  241  271 
LCS_GDT     V   238_B     V   238_B      5  101  281      3    5    8    9   16   51   60   78   89   98  112  124  152  165  174  184  192  218  227  271 
LCS_GDT     L   239_B     L   239_B     69  101  281      5    7   14   30   57  115  139  142  155  168  217  225  256  262  268  269  272  276  276  276 
LCS_GDT     D   240_B     D   240_B     74  101  281      5   10   70  102  128  137  143  180  206  232  248  257  260  263  268  269  272  276  276  276 
LCS_GDT     T   241_B     T   241_B     74  101  281      6   35  113  127  150  191  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     D   242_B     D   242_B     74  101  281     66  102  117  127  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     V   243_B     V   243_B     74  101  281     55  102  117  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     Y   244_B     Y   244_B     74  101  281     64  102  117  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     N   245_B     N   245_B     74  101  281     35  102  117  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     G   246_B     G   246_B     74  101  281     78  102  117  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     I   247_B     I   247_B     74  101  281     76  102  117  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     L   248_B     L   248_B     74  101  281     78  102  117  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     E   249_B     E   249_B     74  101  281     71  102  117  127  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     I   250_B     I   250_B     74  101  281     78  102  117  127  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     K   251_B     K   251_B     74  101  281     78  102  117  127  144  191  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     S   252_B     S   252_B     74  101  281     78  102  117  127  133  181  221  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     D   253_B     D   253_B     74  101  281     78  102  117  127  133  169  220  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     D   254_B     D   254_B     74  101  281     78  102  117  127  144  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     A   255_B     A   255_B     74  101  281     78  102  117  127  164  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     I   256_B     I   256_B     74  101  281     78  102  117  127  133  186  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     T   257_B     T   257_B     74  101  281     78  102  117  127  133  191  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     M   258_B     M   258_B     74  101  281     78  102  117  127  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     A   259_B     A   259_B     74  101  281     78  102  117  127  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     R   260_B     R   260_B     74  101  281     78  102  117  127  144  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     E   261_B     E   261_B     74  101  281     78  102  117  127  164  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     V   262_B     V   262_B     74  101  281     78  102  117  127  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     G   263_B     G   263_B     74  101  281     78  102  117  127  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     H   264_B     H   264_B     74  101  281     78  102  117  127  164  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     Q   265_B     Q   265_B     74  101  281     78  102  117  127  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     E   266_B     E   266_B     74  101  281     78  102  117  127  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     G   267_B     G   267_B     74  101  281     78  102  117  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     I   268_B     I   268_B     74  101  281     78  102  117  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     L   269_B     L   269_B     74  101  281     78  102  117  127  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     V   270_B     V   270_B     74  101  281     71  102  117  127  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     G   271_B     G   271_B     74  101  281     78  102  117  127  133  191  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     I   272_B     I   272_B     74  101  281     78  102  117  127  133  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     S   273_B     S   273_B     74  101  281     78  102  117  127  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     A   274_B     A   274_B     74  101  281     78  102  117  127  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     G   275_B     G   275_B     74  101  281     78  102  117  127  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     A   276_B     A   276_B     74  101  281     78  102  117  127  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     N   277_B     N   277_B     74  101  281     78  102  117  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     I   278_B     I   278_B     74  101  281     78  102  117  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     K   279_B     K   279_B     74  101  281     78  102  117  127  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     G   280_B     G   280_B     74  101  281     78  102  117  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     A   281_B     A   281_B     74  101  281     78  102  117  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     I   282_B     I   282_B     74  101  281     78  102  117  127  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     E   283_B     E   283_B     74  101  281     78  102  117  127  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     V   284_B     V   284_B     74  101  281     78  102  117  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     A   285_B     A   285_B     74  101  281     78  102  117  127  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     K   286_B     K   286_B     74  101  281     78  102  117  127  164  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     K   287_B     K   287_B     74  101  281     78  102  117  127  164  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     L   288_B     L   288_B     74  101  281     78  102  117  127  163  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     G   289_B     G   289_B     74  101  281     78  102  117  127  134  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     K   290_B     K   290_B     74  101  281     78  102  117  127  133  198  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     G   291_B     G   291_B     74  101  281     78  102  117  127  133  186  223  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     K   292_B     K   292_B     74  101  281     78  102  117  127  133  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     Q   293_B     Q   293_B     74  101  281     78  102  117  127  164  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     V   294_B     V   294_B     74  101  281     78  102  117  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     I   295_B     I   295_B     74  101  281     78  102  117  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     T   296_B     T   296_B     74  101  281     78  102  117  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     V   297_B     V   297_B     74  101  281     78  102  117  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     A   298_B     A   298_B     74  101  281     78  102  117  129  165  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     P   299_B     P   299_B     74  101  281     78  102  117  127  158  199  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     D   300_B     D   300_B     74  101  281     24   83  117  127  133  155  212  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     G   301_B     G   301_B     74  101  281     49  101  117  127  144  184  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     G   302_B     G   302_B     74  101  281     78  102  117  127  133  179  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     D   303_B     D   303_B     74  101  281     64  102  117  127  144  189  224  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     R   304_B     R   304_B     74  101  281     46  101  117  127  133  142  212  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     Y   305_B     Y   305_B     74  101  281     60  101  117  127  133  142  176  234  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     L   306_B     L   306_B     74  101  281     78  102  117  127  133  142  206  236  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     S   307_B     S   307_B     74  101  281     60  101  117  127  133  140  149  189  240  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     T   308_B     T   308_B     74  101  281     12   89  114  127  133  140  146  163  225  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     E   309_B     E   309_B     74  101  281     12   48  107  126  133  140  145  163  195  243  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     L   310_B     L   310_B     74  101  281     30   69  113  127  133  140  157  202  240  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     F   311_B     F   311_B     74  101  281     56  101  117  127  133  142  176  225  242  247  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     N   312_B     N   312_B     74  101  281      5   25   85  126  133  140  151  170  203  244  253  257  260  263  268  269  272  276  276  276 
LCS_GDT     Y   313_B     Y   313_B     74  101  281      5    9   29   53  131  137  150  164  199  239  253  257  260  263  268  269  272  276  276  276 
LCS_AVERAGE  LCS_A:  54.63  (  23.29   40.59  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     78    102    117    129    165    199    224    236    242    247    253    257    260    263    268    269    272    276    276    276 
GDT PERCENT_AT  27.76  36.30  41.64  45.91  58.72  70.82  79.72  83.99  86.12  87.90  90.04  91.46  92.53  93.59  95.37  95.73  96.80  98.22  98.22  98.22
GDT RMS_LOCAL    0.26   0.47   0.65   1.26   1.65   1.92   2.14   2.32   2.38   2.48   2.64   2.74   2.84   2.99   3.17   3.22   3.38   3.51   3.51   3.51
GDT RMS_ALL_AT   6.33   6.06   6.01   4.16   4.06   4.02   4.01   3.98   3.98   3.98   3.97   3.96   3.95   3.93   3.92   3.92   3.92   3.92   3.92   3.92

# 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     4.236     0    0.120   1.139     5.130   34.286   38.095
LGA    H     7_B      H     7_B     7.646     0    0.602   1.266    13.999   12.738    5.143
LGA    T     8_B      T     8_B     7.488     0    0.615   0.914    11.450   10.833    6.599
LGA    K     9_B      K     9_B     7.056     4    0.014   0.077     8.090   14.643    7.037
LGA    I    10_B      I    10_B     4.704     0    0.040   0.593     6.972   27.619   25.952
LGA    T    11_B      T    11_B     3.510     0    0.020   0.156     3.699   46.667   49.116
LGA    N    12_B      N    12_B     3.476     0    0.030   1.116     6.340   50.119   41.964
LGA    S    13_B      S    13_B     2.407     0    0.081   0.131     2.814   66.905   64.921
LGA    I    14_B      I    14_B     1.161     0    0.062   0.077     1.620   81.548   84.881
LGA    V    15_B      V    15_B     0.835     0    0.048   0.312     1.971   85.952   81.565
LGA    N    16_B      N    16_B     2.079     0    0.035   0.114     3.267   64.881   59.226
LGA    L    17_B      L    17_B     2.243     0    0.100   0.132     2.746   64.762   63.810
LGA    I    18_B      I    18_B     2.193     0    0.061   0.088     2.915   62.976   69.048
LGA    G    19_B      G    19_B     4.218     0    0.676   0.676     4.625   37.262   37.262
LGA    N    20_B      N    20_B     4.042     0    0.049   0.279     5.113   41.905   38.929
LGA    T    21_B      T    21_B     3.159     0    0.041   0.170     3.877   51.905   49.184
LGA    P    22_B      P    22_B     1.997     0    0.015   0.066     2.314   70.833   70.544
LGA    I    23_B      I    23_B     1.692     0    0.094   0.085     2.928   75.000   68.929
LGA    V    24_B      V    24_B     1.367     0    0.098   1.060     3.814   81.429   73.605
LGA    K    25_B      K    25_B     1.413     0    0.024   0.144     2.886   81.429   72.222
LGA    L    26_B      L    26_B     1.200     0    0.042   0.076     1.843   77.143   82.679
LGA    N    27_B      N    27_B     1.985     0    0.027   0.163     2.669   66.905   69.881
LGA    R    28_B      R    28_B     2.265     0    0.073   1.348     7.166   61.071   50.952
LGA    V    29_B      V    29_B     2.295     0    0.046   0.058     2.418   64.762   65.918
LGA    V    30_B      V    30_B     2.210     0    0.022   1.364     3.723   64.762   60.748
LGA    P    31_B      P    31_B     2.680     0    0.021   0.048     2.844   59.048   59.320
LGA    E    32_B      E    32_B     2.814     4    0.087   0.102     3.038   53.571   30.159
LGA    D    33_B      D    33_B     3.435     0    0.026   0.571     4.611   50.000   46.012
LGA    A    34_B      A    34_B     2.907     0    0.012   0.019     3.124   55.357   55.714
LGA    A    35_B      A    35_B     2.605     0    0.024   0.049     2.736   62.976   63.333
LGA    D    36_B      D    36_B     2.042     0    0.060   0.131     2.914   68.810   63.929
LGA    V    37_B      V    37_B     1.261     0    0.060   0.103     1.630   79.286   81.497
LGA    Y    38_B      Y    38_B     1.311     0    0.024   0.251     3.374   81.429   66.032
LGA    V    39_B      V    39_B     1.119     0    0.037   0.055     1.468   81.429   84.014
LGA    K    40_B      K    40_B     1.926     0    0.039   0.175     3.967   70.833   60.212
LGA    L    41_B      L    41_B     1.978     0    0.044   0.071     2.716   66.905   70.952
LGA    E    42_B      E    42_B     2.633     0    0.116   0.949     5.997   59.048   47.725
LGA    F    43_B      F    43_B     3.300     0    0.019   0.273     4.197   46.905   47.835
LGA    F    44_B      F    44_B     4.272     0    0.227   0.708     6.263   30.952   40.087
LGA    N    45_B      N    45_B     4.460     0    0.099   1.024     5.506   41.905   36.131
LGA    P    46_B      P    46_B     5.820     0    0.023   0.248     7.753   26.548   19.524
LGA    G    47_B      G    47_B     2.464     0    0.183   0.183     5.410   49.762   49.762
LGA    G    48_B      G    48_B     4.103     0    0.105   0.105     5.719   36.429   36.429
LGA    S    49_B      S    49_B     3.414     0    0.068   0.067     3.452   50.000   50.000
LGA    I    50_B      I    50_B     3.427     0    0.180   1.116     5.799   51.786   49.226
LGA    K    51_B      K    51_B     3.389     2    0.172   0.777     3.698   48.333   39.048
LGA    D    52_B      D    52_B     2.513     0    0.033   0.286     3.865   65.000   56.726
LGA    R    53_B      R    53_B     0.795     0    0.100   0.934     7.001   83.690   54.632
LGA    I    54_B      I    54_B     2.289     0    0.082   1.353     5.635   64.881   52.679
LGA    A    55_B      A    55_B     2.597     0    0.051   0.067     2.958   62.857   61.714
LGA    L    56_B      L    56_B     1.334     0    0.060   0.155     1.764   79.286   84.881
LGA    A    57_B      A    57_B     1.423     0    0.077   0.072     1.524   79.286   78.000
LGA    M    58_B      M    58_B     1.804     0    0.088   0.247     2.670   70.833   65.893
LGA    I    59_B      I    59_B     1.485     0    0.048   0.077     1.850   79.286   78.214
LGA    E    60_B      E    60_B     1.411     0    0.011   0.132     1.457   81.429   81.429
LGA    E    61_B      E    61_B     1.377     0    0.025   1.318     4.385   81.429   65.397
LGA    A    62_B      A    62_B     1.385     0    0.024   0.032     1.555   79.286   79.714
LGA    E    63_B      E    63_B     1.624     0    0.022   0.450     2.192   72.857   71.958
LGA    K    64_B      K    64_B     1.632     4    0.038   0.051     1.660   72.857   40.476
LGA    A    65_B      A    65_B     1.436     0    0.071   0.084     1.650   79.286   78.000
LGA    G    66_B      G    66_B     1.623     0    0.141   0.141     1.669   72.857   72.857
LGA    K    67_B      K    67_B     1.473     4    0.063   0.090     1.609   79.286   43.333
LGA    L    68_B      L    68_B     1.498     0    0.051   0.135     1.801   77.143   79.286
LGA    Q    69_B      Q    69_B     2.276     4    0.058   0.103     3.046   70.833   37.037
LGA    A    70_B      A    70_B     1.721     0    0.061   0.075     1.956   72.857   72.857
LGA    G    71_B      G    71_B     1.550     0    0.059   0.059     1.904   72.857   72.857
LGA    G    72_B      G    72_B     1.589     0    0.027   0.027     1.589   75.000   75.000
LGA    T    73_B      T    73_B     1.513     0    0.042   0.075     1.829   77.143   76.531
LGA    I    74_B      I    74_B     1.147     0    0.018   0.078     1.346   81.429   84.821
LGA    V    75_B      V    75_B     1.317     0    0.033   0.094     1.736   81.429   78.980
LGA    E    76_B      E    76_B     1.164     0    0.029   0.215     1.313   81.429   82.434
LGA    P    77_B      P    77_B     1.414     0    0.052   0.101     1.619   79.286   77.755
LGA    T    78_B      T    78_B     1.473     0    0.182   0.346     1.993   79.286   76.531
LGA    S    79_B      S    79_B     1.281     0    0.701   0.637     3.212   73.571   74.762
LGA    G    80_B      G    80_B     1.963     0    0.038   0.038     1.963   72.857   72.857
LGA    N    81_B      N    81_B     1.926     3    0.069   0.095     2.557   70.833   42.560
LGA    T    82_B      T    82_B     2.089     0    0.042   0.191     2.722   68.810   64.898
LGA    G    83_B      G    83_B     0.935     0    0.036   0.036     1.235   88.214   88.214
LGA    V    84_B      V    84_B     1.157     0    0.016   0.092     1.620   81.429   80.204
LGA    G    85_B      G    85_B     1.738     0    0.023   0.023     1.738   75.000   75.000
LGA    L    86_B      L    86_B     1.422     0    0.018   1.335     2.624   81.429   77.440
LGA    A    87_B      A    87_B     0.835     0    0.011   0.029     1.050   88.214   88.667
LGA    M    88_B      M    88_B     1.394     0    0.069   0.931     2.133   77.143   75.060
LGA    V    89_B      V    89_B     2.055     0    0.031   0.071     2.393   68.810   67.075
LGA    A    90_B      A    90_B     1.649     0    0.024   0.046     2.056   70.833   72.952
LGA    A    91_B      A    91_B     1.467     0    0.036   0.049     2.059   75.119   76.381
LGA    A    92_B      A    92_B     2.325     0    0.128   0.120     2.397   66.786   66.381
LGA    K    93_B      K    93_B     2.537     0    0.046   0.777     2.762   59.048   63.122
LGA    G    94_B      G    94_B     2.386     0    0.108   0.108     2.386   64.762   64.762
LGA    Y    95_B      Y    95_B     1.546     0    0.042   0.137     1.739   72.857   78.571
LGA    H    96_B      H    96_B     1.429     0    0.022   0.991     2.944   79.286   72.238
LGA    L    97_B      L    97_B     1.047     0    0.011   0.114     1.144   81.429   85.952
LGA    V    98_B      V    98_B     1.406     0    0.032   0.056     1.556   81.429   78.980
LGA    I    99_B      I    99_B     1.300     0    0.018   0.654     2.095   79.286   78.274
LGA    T   100_B      T   100_B     1.603     0    0.040   0.044     1.726   75.000   74.082
LGA    M   101_B      M   101_B     1.743     0    0.025   0.388     1.931   72.857   75.060
LGA    P   102_B      P   102_B     1.980     0    0.016   0.256     2.025   68.810   70.612
LGA    E   103_B      E   103_B     2.232     0    0.046   0.227     3.328   64.762   61.429
LGA    T   104_B      T   104_B     2.382     0    0.020   0.043     2.731   64.762   62.585
LGA    M   105_B      M   105_B     2.319     0    0.104   1.071     3.692   57.500   63.631
LGA    S   106_B      S   106_B     2.942     0    0.369   0.792     5.812   62.976   51.746
LGA    V   107_B      V   107_B     2.567     0    0.641   0.652     3.512   57.262   53.197
LGA    E   108_B      E   108_B     3.329     0    0.062   1.431     6.897   55.476   39.577
LGA    R   109_B      R   109_B     1.457     4    0.049   0.657     2.053   84.167   51.299
LGA    R   110_B      R   110_B     1.088     0    0.144   1.180     3.780   81.429   70.346
LGA    K   111_B      K   111_B     1.416     0    0.038   0.486     3.729   81.429   70.741
LGA    L   112_B      L   112_B     0.965     0    0.049   1.363     3.922   88.214   74.226
LGA    M   113_B      M   113_B     0.699     0    0.007   0.236     1.573   90.476   88.274
LGA    Q   114_B      Q   114_B     0.832     0    0.030   0.063     1.534   90.476   84.497
LGA    G   115_B      G   115_B     0.671     0    0.016   0.016     0.777   92.857   92.857
LGA    Y   116_B      Y   116_B     0.408     0    0.037   0.072     1.116   92.857   92.103
LGA    G   117_B      G   117_B     0.770     0    0.050   0.050     1.218   88.214   88.214
LGA    A   118_B      A   118_B     0.954     0    0.069   0.082     1.421   85.952   86.857
LGA    E   119_B      E   119_B     1.514     0    0.058   0.595     2.906   75.000   71.164
LGA    L   120_B      L   120_B     1.529     0    0.069   0.305     2.196   70.833   73.988
LGA    I   121_B      I   121_B     1.702     1    0.019   0.053     1.830   72.857   63.750
LGA    L   122_B      L   122_B     1.951     0    0.025   0.064     2.343   68.810   68.810
LGA    T   123_B      T   123_B     2.427     0    0.040   0.057     2.621   62.857   60.408
LGA    P   124_B      P   124_B     2.884     0    0.021   0.121     3.235   57.143   55.102
LGA    G   125_B      G   125_B     2.964     0    0.047   0.047     3.243   53.571   53.571
LGA    A   126_B      A   126_B     3.810     0    0.022   0.045     4.158   45.000   43.429
LGA    D   127_B      D   127_B     2.640     0    0.045   0.441     4.049   60.952   56.607
LGA    G   128_B      G   128_B     2.384     0    0.062   0.062     2.507   62.857   62.857
LGA    M   129_B      M   129_B     2.016     0    0.077   0.534     3.133   64.762   62.976
LGA    K   130_B      K   130_B     2.267     4    0.017   0.077     2.267   64.762   35.979
LGA    G   131_B      G   131_B     2.219     0    0.031   0.031     2.273   64.762   64.762
LGA    A   132_B      A   132_B     1.767     0    0.011   0.027     1.959   72.857   72.857
LGA    I   133_B      I   133_B     1.623     0    0.032   0.090     1.760   72.857   72.857
LGA    A   134_B      A   134_B     2.042     0    0.035   0.046     2.273   66.786   66.381
LGA    K   135_B      K   135_B     1.968     0    0.033   0.663     2.099   70.833   71.111
LGA    A   136_B      A   136_B     1.602     0    0.016   0.025     1.764   72.857   74.571
LGA    E   137_B      E   137_B     1.616     2    0.045   0.083     1.819   72.857   56.667
LGA    E   138_B      E   138_B     1.882     0    0.060   0.725     4.156   72.857   62.169
LGA    L   139_B      L   139_B     1.613     0    0.021   0.110     1.760   72.857   72.857
LGA    V   140_B      V   140_B     1.714     0    0.107   0.146     2.045   72.857   71.701
LGA    K   141_B      K   141_B     1.891     4    0.048   0.073     2.145   72.857   39.577
LGA    E   142_B      E   142_B     1.711     4    0.022   0.083     1.807   72.857   40.476
LGA    K   143_B      K   143_B     1.655     4    0.034   0.053     1.726   72.857   40.476
LGA    G   144_B      G   144_B     1.766     0    0.024   0.024     1.788   72.857   72.857
LGA    Y   145_B      Y   145_B     1.585     0    0.057   0.107     1.743   75.000   75.000
LGA    F   146_B      F   146_B     1.183     0    0.033   0.149     1.419   81.429   81.429
LGA    M   147_B      M   147_B     1.139     0    0.017   0.120     1.361   81.429   81.429
LGA    P   148_B      P   148_B     1.271     0    0.639   0.714     2.578   75.357   77.959
LGA    M   149_B      M   149_B     3.020     3    0.347   0.367     3.344   61.190   36.845
LGA    Q   150_B      Q   150_B     3.153     4    0.700   0.636     4.926   48.571   25.079
LGA    F   151_B      F   151_B     2.790     0    0.159   1.351    11.470   66.905   28.788
LGA    D   152_B      D   152_B     4.239     3    0.207   0.209     6.392   34.405   19.881
LGA    N   153_B      N   153_B     7.327     3    0.104   0.129     8.321   14.881    8.036
LGA    P   154_B      P   154_B     8.257     0    0.213   0.217    10.566    2.857    1.905
LGA    A   155_B      A   155_B    12.839     0    0.590   0.585    14.681    0.000    0.000
LGA    H   160_B      H   160_B    12.520     5    0.631   0.621    13.362    0.000    0.000
LGA    E   161_B      E   161_B     8.606     0    0.136   0.789     9.870    4.405    6.614
LGA    E   162_B      E   162_B     7.115     0    0.190   0.971     7.716   10.119   10.847
LGA    T   163_B      T   163_B     8.847     0    0.174   1.191    10.548    2.976    2.789
LGA    T   164_B      T   164_B     9.778     0    0.067   0.142    10.750    1.190    0.680
LGA    G   165_B      G   165_B     7.584     0    0.046   0.046     8.266    7.976    7.976
LGA    K   166_B      K   166_B     6.990     4    0.025   0.062     7.721    9.405    5.661
LGA    E   167_B      E   167_B     9.300     0    0.063   0.899    10.007    1.786    1.640
LGA    I   168_B      I   168_B     9.439     0    0.031   0.049    10.161    1.786    1.250
LGA    L   169_B      L   169_B     7.771     0    0.027   1.166     8.673    4.881   11.964
LGA    E   170_B      E   170_B     9.322     0    0.033   0.792    10.541    1.071    1.429
LGA    A   171_B      A   171_B    11.210     0    0.075   0.082    11.957    0.000    0.000
LGA    F   172_B      F   172_B    10.145     0    0.118   0.187    10.300    0.000    0.649
LGA    G   173_B      G   173_B    10.748     0    0.659   0.659    10.748    0.119    0.119
LGA    D   174_B      D   174_B    11.436     0    0.139   0.276    14.663    0.000    0.000
LGA    D   175_B      D   175_B     9.364     0    0.247   0.406    10.165    2.262    1.726
LGA    I   176_B      I   176_B     5.326     0    0.088   0.622     6.955   25.595   27.083
LGA    P   177_B      P   177_B     3.220     0    0.128   0.443     4.225   51.905   49.320
LGA    D   178_B      D   178_B     2.684     0    0.032   0.286     4.813   60.952   52.381
LGA    A   179_B      A   179_B     1.792     0    0.057   0.053     2.176   70.833   71.238
LGA    F   180_B      F   180_B     1.517     0    0.009   0.203     2.070   77.143   73.680
LGA    V   181_B      V   181_B     1.011     0    0.018   0.081     1.228   81.429   85.306
LGA    A   182_B      A   182_B     1.473     0    0.088   0.106     1.727   77.143   76.286
LGA    G   183_B      G   183_B     1.443     0    0.121   0.121     1.470   83.690   83.690
LGA    V   184_B      V   184_B     1.743     0    0.177   1.123     3.559   70.833   65.238
LGA    G   185_B      G   185_B     2.782     0    0.076   0.076     4.129   50.595   50.595
LGA    T   186_B      T   186_B     5.525     0    0.087   0.113     7.197   24.048   19.524
LGA    G   187_B      G   187_B     3.582     0    0.221   0.221     3.992   45.000   45.000
LGA    G   188_B      G   188_B     4.765     0    0.154   0.154     4.765   34.286   34.286
LGA    T   189_B      T   189_B     3.925     0    0.034   0.137     4.570   43.452   39.932
LGA    L   190_B      L   190_B     2.222     0    0.039   0.229     2.650   62.857   66.845
LGA    T   191_B      T   191_B     2.657     0    0.054   0.080     3.416   57.143   55.102
LGA    G   192_B      G   192_B     3.452     0    0.009   0.009     3.452   50.000   50.000
LGA    V   193_B      V   193_B     3.166     0    0.045   0.077     3.428   53.571   52.041
LGA    G   194_B      G   194_B     2.288     0    0.044   0.044     2.540   62.857   62.857
LGA    H   195_B      H   195_B     2.706     0    0.019   0.327     3.156   55.357   56.524
LGA    A   196_B      A   196_B     3.444     0    0.042   0.045     3.733   50.000   48.667
LGA    L   197_B      L   197_B     2.999     0    0.015   0.061     3.566   55.357   53.631
LGA    K   198_B      K   198_B     2.510     0    0.078   0.605     2.576   59.048   66.032
LGA    K   199_B      K   199_B     2.867     2    0.089   0.524     4.091   57.143   40.688
LGA    A   200_B      A   200_B     3.154     0    0.025   0.044     3.250   50.000   50.000
LGA    N   201_B      N   201_B     2.869     0    0.036   0.128     3.543   57.143   53.631
LGA    P   202_B      P   202_B     2.177     0    0.071   0.088     2.474   64.762   64.762
LGA    N   203_B      N   203_B     2.182     0    0.033   1.109     3.258   64.762   61.964
LGA    V   204_B      V   204_B     2.234     0    0.032   0.049     2.446   68.810   67.075
LGA    Q   205_B      Q   205_B     1.718     0    0.042   0.938     3.483   72.857   70.317
LGA    I   206_B      I   206_B     1.538     0    0.016   0.052     2.044   77.143   73.988
LGA    Y   207_B      Y   207_B     1.145     0    0.050   0.067     1.346   81.429   84.444
LGA    A   208_B      A   208_B     1.717     0    0.017   0.017     1.963   77.143   76.286
LGA    L   209_B      L   209_B     1.787     0    0.025   0.254     2.462   68.810   70.893
LGA    E   210_B      E   210_B     2.307     0    0.035   0.401     2.405   64.762   67.460
LGA    P   211_B      P   211_B     2.798     0    0.102   0.306     3.143   57.143   56.122
LGA    A   212_B      A   212_B     3.067     0    0.573   0.514     3.176   53.571   52.857
LGA    P   236_B      P   236_B    14.431     0    0.500   0.755    15.502    0.000    0.000
LGA    K   237_B      K   237_B    14.599     0    0.519   0.999    17.395    0.000    0.000
LGA    V   238_B      V   238_B    14.676     0    0.585   0.927    17.137    0.000    0.000
LGA    L   239_B      L   239_B     8.822     0    0.188   1.444    10.928    2.619    8.333
LGA    D   240_B      D   240_B     7.185     0    0.047   1.094     8.215   18.690   13.393
LGA    T   241_B      T   241_B     3.665     0    0.146   0.192     5.716   51.190   40.544
LGA    D   242_B      D   242_B     2.629     0    0.159   0.163     4.262   60.952   54.762
LGA    V   243_B      V   243_B     1.949     0    0.129   0.169     2.205   70.833   72.925
LGA    Y   244_B      Y   244_B     1.365     0    0.078   0.995     4.904   83.810   67.579
LGA    N   245_B      N   245_B     1.103     0    0.024   0.284     1.862   83.690   81.488
LGA    G   246_B      G   246_B     1.221     0    0.068   0.068     1.221   83.690   83.690
LGA    I   247_B      I   247_B     1.015     0    0.038   0.084     1.299   88.214   84.821
LGA    L   248_B      L   248_B     0.998     0    0.026   0.078     1.502   83.810   87.143
LGA    E   249_B      E   249_B     1.892     0    0.156   0.405     3.331   68.810   67.619
LGA    I   250_B      I   250_B     2.460     0    0.032   0.102     2.875   60.952   64.881
LGA    K   251_B      K   251_B     3.368     2    0.022   0.107     3.963   51.786   37.460
LGA    S   252_B      S   252_B     3.784     0    0.014   0.583     5.002   43.333   39.444
LGA    D   253_B      D   253_B     4.090     0    0.030   0.974     7.436   41.786   30.179
LGA    D   254_B      D   254_B     3.142     0    0.031   0.543     4.166   51.905   47.679
LGA    A   255_B      A   255_B     2.672     0    0.055   0.063     2.917   57.143   57.143
LGA    I   256_B      I   256_B     3.561     0    0.011   0.090     4.382   46.667   42.679
LGA    T   257_B      T   257_B     3.500     0    0.025   0.112     4.087   48.333   45.306
LGA    M   258_B      M   258_B     2.454     0    0.012   0.799     3.167   62.857   62.976
LGA    A   259_B      A   259_B     2.566     0    0.050   0.054     2.784   57.143   57.143
LGA    R   260_B      R   260_B     3.111     0    0.026   1.355     9.102   53.571   33.030
LGA    E   261_B      E   261_B     2.682     0    0.022   0.160     3.296   60.952   55.661
LGA    V   262_B      V   262_B     1.718     0    0.013   0.051     1.998   72.857   72.857
LGA    G   263_B      G   263_B     2.079     0    0.055   0.055     2.154   66.786   66.786
LGA    H   264_B      H   264_B     2.544     0    0.114   0.203     3.668   62.857   55.238
LGA    Q   265_B      Q   265_B     2.134     0    0.082   1.053     4.173   68.810   63.704
LGA    E   266_B      E   266_B     1.210     0    0.035   0.138     1.465   81.429   81.429
LGA    G   267_B      G   267_B     1.158     0    0.042   0.042     1.211   81.429   81.429
LGA    I   268_B      I   268_B     1.065     0    0.057   0.126     1.731   79.286   84.881
LGA    L   269_B      L   269_B     2.051     0    0.059   0.115     3.161   66.786   61.131
LGA    V   270_B      V   270_B     2.354     0    0.049   0.068     2.983   60.952   63.741
LGA    G   271_B      G   271_B     3.337     0    0.056   0.056     3.337   51.786   51.786
LGA    I   272_B      I   272_B     3.125     0    0.044   0.239     4.201   53.571   49.464
LGA    S   273_B      S   273_B     2.661     0    0.086   0.573     3.090   60.952   58.492
LGA    A   274_B      A   274_B     1.847     0    0.019   0.050     2.108   72.976   72.952
LGA    G   275_B      G   275_B     1.946     0    0.023   0.023     1.946   72.857   72.857
LGA    A   276_B      A   276_B     2.057     0    0.020   0.034     2.341   68.810   68.000
LGA    N   277_B      N   277_B     1.501     0    0.037   0.079     1.962   77.143   76.071
LGA    I   278_B      I   278_B     1.131     0    0.040   0.101     1.315   81.429   81.429
LGA    K   279_B      K   279_B     1.627     0    0.009   0.159     3.209   79.286   68.730
LGA    G   280_B      G   280_B     1.100     0    0.015   0.015     1.291   85.952   85.952
LGA    A   281_B      A   281_B     0.706     0    0.023   0.038     1.107   88.214   88.667
LGA    I   282_B      I   282_B     1.407     0    0.033   0.089     2.031   75.119   73.988
LGA    E   283_B      E   283_B     1.719     0    0.099   0.165     2.181   70.833   71.958
LGA    V   284_B      V   284_B     1.349     0    0.023   0.036     1.897   77.143   80.272
LGA    A   285_B      A   285_B     1.751     0    0.022   0.051     2.379   68.810   69.619
LGA    K   286_B      K   286_B     2.470     0    0.033   0.329     3.756   59.167   58.201
LGA    K   287_B      K   287_B     2.566     2    0.110   0.187     2.969   59.048   48.730
LGA    L   288_B      L   288_B     2.792     0    0.020   0.175     3.501   51.905   55.476
LGA    G   289_B      G   289_B     3.355     0    0.016   0.016     3.417   50.000   50.000
LGA    K   290_B      K   290_B     3.606     2    0.032   0.506     4.056   41.786   34.709
LGA    G   291_B      G   291_B     3.781     0    0.034   0.034     3.821   43.333   43.333
LGA    K   292_B      K   292_B     3.256     0    0.019   0.663     4.184   53.571   50.317
LGA    Q   293_B      Q   293_B     2.577     0    0.050   0.778     6.302   59.048   45.026
LGA    V   294_B      V   294_B     1.567     0    0.015   0.036     1.814   77.143   78.980
LGA    I   295_B      I   295_B     1.519     0    0.042   1.320     4.176   77.143   70.774
LGA    T   296_B      T   296_B     1.147     0    0.033   0.089     1.316   81.429   84.014
LGA    V   297_B      V   297_B     1.693     0    0.035   0.076     1.859   72.857   72.857
LGA    A   298_B      A   298_B     1.902     0    0.050   0.050     2.591   66.905   68.095
LGA    P   299_B      P   299_B     2.863     0    0.019   0.208     4.017   50.595   54.490
LGA    D   300_B      D   300_B     4.289     0    0.074   0.156     6.425   43.452   35.060
LGA    G   301_B      G   301_B     3.573     0    0.062   0.062     4.108   41.786   41.786
LGA    G   302_B      G   302_B     3.728     0    0.043   0.043     4.105   43.452   43.452
LGA    D   303_B      D   303_B     3.447     0    0.186   0.579     4.889   40.476   43.631
LGA    R   304_B      R   304_B     4.833     6    0.035   0.059     5.569   29.048   13.420
LGA    Y   305_B      Y   305_B     5.229     0    0.027   0.137     5.493   27.500   27.500
LGA    L   306_B      L   306_B     5.033     0    0.042   0.147     5.597   23.810   27.619
LGA    S   307_B      S   307_B     6.428     0    0.149   0.626     7.730   14.762   13.730
LGA    T   308_B      T   308_B     6.758     0    0.017   0.153     6.758   14.286   14.422
LGA    E   309_B      E   309_B     7.033     3    0.100   0.683     8.360   11.667    6.508
LGA    L   310_B      L   310_B     5.620     0    0.049   0.107     6.231   22.738   27.143
LGA    F   311_B      F   311_B     5.123     0    0.401   0.505     5.301   28.929   34.242
LGA    N   312_B      N   312_B     6.988     0    0.515   1.061    12.029   12.500    6.607
LGA    Y   313_B      Y   313_B     6.714     0    0.627   0.473     8.230   11.190   20.040

# 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):     3.911          3.882                  4.146           58.703   55.415

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  313  281    4.0    236    2.32    65.480    62.931     9.754

LGA_LOCAL      RMSD:   2.319  Number of atoms:  236  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.981  Number of assigned atoms:  281 
Std_ASGN_ATOMS RMSD:   3.911  Standard rmsd on all 281 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.781085 * X  +   0.568573 * Y  +  -0.258129 * Z  +   9.071383
  Y_new =  -0.459824 * X  +  -0.244065 * Y  +   0.853811 * Z  +   7.968760
  Z_new =   0.422454 * X  +   0.785594 * Y  +   0.452079 * Z  +  23.445469 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.609524 -0.436151  1.048615   [DEG: -149.5147  -24.9896   60.0812 ]
ZXZ: -2.848004  1.101701  0.493390   [DEG: -163.1786   63.1228   28.2692 ]
 
# END of job
