
#######################################################
#                                                     #
#                        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       3.86     3.86
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   144       8_B - 151_B       2.00     4.19
  LCS_AVERAGE:     41.16

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   100      50_B - 149_B       0.99     4.88
  LONGEST_CONTINUOUS_SEGMENT:   100      51_B - 150_B       0.95     4.93
  LONGEST_CONTINUOUS_SEGMENT:   100      52_B - 151_B       0.97     4.86
  LCS_AVERAGE:     23.23

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   17  281     32   74   93  125  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     H     7_B     H     7_B     14   17  281      3    8   46   57   82  127  143  167  193  216  238  248  255  259  263  265  270  273  276  277 
LCS_GDT     T     8_B     T     8_B     14  144  281     16   73   97  113  133  158  188  221  242  250  253  257  261  263  270  271  274  275  276  277 
LCS_GDT     K     9_B     K     9_B     14  144  281     44   78   97  118  140  176  205  236  246  250  254  257  262  264  270  271  274  275  276  277 
LCS_GDT     I    10_B     I    10_B     14  144  281      8   78   97  118  142  177  209  236  246  250  254  257  262  264  270  271  274  275  276  277 
LCS_GDT     T    11_B     T    11_B     14  144  281      8   55   97  120  152  183  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     N    12_B     N    12_B     14  144  281      8   12   92  118  145  183  222  236  246  250  254  257  262  264  270  271  274  275  276  277 
LCS_GDT     S    13_B     S    13_B     14  144  281      8   12   97  122  158  198  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     I    14_B     I    14_B     14  144  281      8   77   98  125  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     V    15_B     V    15_B     14  144  281     13   77   98  125  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     N    16_B     N    16_B     14  144  281     54   79   98  125  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     L    17_B     L    17_B     14  144  281     12   78   98  125  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     I    18_B     I    18_B     29  144  281     11   70  111  126  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     G    19_B     G    19_B     29  144  281      5   23  116  127  133  160  221  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     N    20_B     N    20_B     29  144  281      3   99  116  127  133  160  222  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     T    21_B     T    21_B     29  144  281     76   99  116  127  146  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     P    22_B     P    22_B     29  144  281     67   99  116  127  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     I    23_B     I    23_B     29  144  281     64   99  116  127  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     V    24_B     V    24_B     29  144  281     67   99  116  127  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     K    25_B     K    25_B     29  144  281     77   99  116  127  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     L    26_B     L    26_B     29  144  281     77   99  116  127  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     N    27_B     N    27_B     29  144  281     77   99  116  127  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     R    28_B     R    28_B     29  144  281     77   99  116  127  162  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     V    29_B     V    29_B     29  144  281     77   99  116  127  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     V    30_B     V    30_B     29  144  281     77   99  116  127  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     P    31_B     P    31_B     29  144  281     66   99  116  127  161  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     E    32_B     E    32_B     29  144  281     75   99  116  127  156  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     D    33_B     D    33_B     29  144  281     77   99  116  127  133  198  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     A    34_B     A    34_B     29  144  281     77   99  116  127  161  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     A    35_B     A    35_B     29  144  281     77   99  116  127  162  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     D    36_B     D    36_B     29  144  281     77   99  116  127  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     V    37_B     V    37_B     29  144  281     77   99  116  127  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     Y    38_B     Y    38_B     29  144  281     77   99  116  127  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     V    39_B     V    39_B     29  144  281     77   99  116  127  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     K    40_B     K    40_B     29  144  281     77   99  116  127  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     L    41_B     L    41_B     29  144  281     77   99  116  127  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     E    42_B     E    42_B     29  144  281     76   99  116  127  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     F    43_B     F    43_B     29  144  281     57   99  116  127  155  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     F    44_B     F    44_B     29  144  281      5   93  115  127  136  165  214  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     N    45_B     N    45_B     29  144  281     28   93  112  127  133  142  205  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     P    46_B     P    46_B     29  144  281      4   19   84  125  133  139  150  206  244  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     G    47_B     G    47_B     33  144  281     14   68   95  109  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     G    48_B     G    48_B     33  144  281      4   10   21   71   96  157  204  233  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     S    49_B     S    49_B     33  144  281      3   27   69  100  126  191  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     I    50_B     I    50_B    100  144  281      3   27   69  100  126  191  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     K    51_B     K    51_B    100  144  281      7   21   79  104  126  191  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     D    52_B     D    52_B    100  144  281     39   78   97  118  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     R    53_B     R    53_B    100  144  281     19   77   98  125  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     I    54_B     I    54_B    100  144  281      8   40   88  115  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     A    55_B     A    55_B    100  144  281      8   43   95  115  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     L    56_B     L    56_B    100  144  281     55   79   98  125  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     A    57_B     A    57_B    100  144  281     29   79   98  125  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     M    58_B     M    58_B    100  144  281     20   79   98  125  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     I    59_B     I    59_B    100  144  281     53   79   98  125  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     E    60_B     E    60_B    100  144  281     55   79   98  125  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     E    61_B     E    61_B    100  144  281     53   79   98  125  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     A    62_B     A    62_B    100  144  281     55   79   98  125  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     E    63_B     E    63_B    100  144  281     40   79   98  125  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     K    64_B     K    64_B    100  144  281     34   79   98  125  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     A    65_B     A    65_B    100  144  281     50   79   98  125  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     G    66_B     G    66_B    100  144  281     48   79   98  125  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     K    67_B     K    67_B    100  144  281     55   79   98  125  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     L    68_B     L    68_B    100  144  281     55   79   98  125  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     Q    69_B     Q    69_B    100  144  281     55   79   98  125  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     A    70_B     A    70_B    100  144  281     55   79   98  125  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     G    71_B     G    71_B    100  144  281     55   79   98  125  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     G    72_B     G    72_B    100  144  281     55   79   98  125  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     T    73_B     T    73_B    100  144  281     55   79   98  125  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     I    74_B     I    74_B    100  144  281     55   79   98  125  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     V    75_B     V    75_B    100  144  281     55   79   98  125  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     E    76_B     E    76_B    100  144  281     55   79   98  125  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     P    77_B     P    77_B    100  144  281     55   79   98  125  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     T    78_B     T    78_B    100  144  281     55   79   98  125  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     S    79_B     S    79_B    100  144  281     38   79   98  125  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     G    80_B     G    80_B    100  144  281     17   41   96  125  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     N    81_B     N    81_B    100  144  281     17   67  111  126  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     T    82_B     T    82_B    100  144  281     17   42  105  125  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     G    83_B     G    83_B    100  144  281     19   76   98  125  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     V    84_B     V    84_B    100  144  281     17   76   98  125  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     G    85_B     G    85_B    100  144  281     19   65   97  125  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     L    86_B     L    86_B    100  144  281     17   75   97  125  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     A    87_B     A    87_B    100  144  281     51   79   98  125  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     M    88_B     M    88_B    100  144  281     48   79   98  125  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     V    89_B     V    89_B    100  144  281     17   76   97  122  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     A    90_B     A    90_B    100  144  281     39   79   97  125  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     A    91_B     A    91_B    100  144  281     53   79   98  125  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     A    92_B     A    92_B    100  144  281     40   79   97  121  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     K    93_B     K    93_B    100  144  281     33   76   97  122  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     G    94_B     G    94_B    100  144  281     43   79   97  122  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     Y    95_B     Y    95_B    100  144  281     55   79   98  125  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     H    96_B     H    96_B    100  144  281     54   79   98  125  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     L    97_B     L    97_B    100  144  281     55   79   98  125  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     V    98_B     V    98_B    100  144  281     55   79   98  125  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     I    99_B     I    99_B    100  144  281     55   79   98  125  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     T   100_B     T   100_B    100  144  281     55   79   98  125  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     M   101_B     M   101_B    100  144  281     55   79   98  125  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     P   102_B     P   102_B    100  144  281     55   79   98  125  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     E   103_B     E   103_B    100  144  281     55   79   98  125  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     T   104_B     T   104_B    100  144  281     55   79   98  125  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     M   105_B     M   105_B    100  144  281      8   78   97  122  161  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     S   106_B     S   106_B    100  144  281      3    3   62  115  151  192  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     V   107_B     V   107_B    100  144  281      8   33   94  115  152  198  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     E   108_B     E   108_B    100  144  281     20   54   96  122  158  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     R   109_B     R   109_B    100  144  281     11   76   98  125  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     R   110_B     R   110_B    100  144  281     55   79   98  125  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     K   111_B     K   111_B    100  144  281     54   79   98  125  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     L   112_B     L   112_B    100  144  281     54   79   98  125  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     M   113_B     M   113_B    100  144  281     55   79   98  125  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     Q   114_B     Q   114_B    100  144  281     55   79   98  125  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     G   115_B     G   115_B    100  144  281     55   79   98  125  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     Y   116_B     Y   116_B    100  144  281     55   79   98  125  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     G   117_B     G   117_B    100  144  281     55   79   98  125  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     A   118_B     A   118_B    100  144  281     55   79   98  125  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     E   119_B     E   119_B    100  144  281     55   79   98  125  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     L   120_B     L   120_B    100  144  281     55   79   98  125  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     I   121_B     I   121_B    100  144  281     55   79   98  125  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     L   122_B     L   122_B    100  144  281     55   79   98  125  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     T   123_B     T   123_B    100  144  281     55   79   98  125  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     P   124_B     P   124_B    100  144  281     55   79   98  123  158  197  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     G   125_B     G   125_B    100  144  281     51   79   98  122  158  197  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     A   126_B     A   126_B    100  144  281     32   78   97  122  148  183  214  235  244  249  252  256  262  265  270  271  274  275  276  277 
LCS_GDT     D   127_B     D   127_B    100  144  281     55   79   98  123  158  197  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     G   128_B     G   128_B    100  144  281     55   79   98  125  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     M   129_B     M   129_B    100  144  281     55   79   98  125  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     K   130_B     K   130_B    100  144  281     55   79   98  125  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     G   131_B     G   131_B    100  144  281     55   79   98  125  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     A   132_B     A   132_B    100  144  281     55   79   98  125  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     I   133_B     I   133_B    100  144  281     55   79   98  125  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     A   134_B     A   134_B    100  144  281     55   79   98  125  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     K   135_B     K   135_B    100  144  281     55   79   98  125  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     A   136_B     A   136_B    100  144  281     55   79   98  125  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     E   137_B     E   137_B    100  144  281     55   79   98  125  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     E   138_B     E   138_B    100  144  281     55   79   98  125  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     L   139_B     L   139_B    100  144  281     55   79   98  125  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     V   140_B     V   140_B    100  144  281     55   79   98  125  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     K   141_B     K   141_B    100  144  281     55   79   98  125  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     E   142_B     E   142_B    100  144  281     42   79   98  125  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     K   143_B     K   143_B    100  144  281     28   79   98  125  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     G   144_B     G   144_B    100  144  281     36   79   98  125  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     Y   145_B     Y   145_B    100  144  281     48   79   98  125  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     F   146_B     F   146_B    100  144  281     55   79   98  125  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     M   147_B     M   147_B    100  144  281     55   79   98  125  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     P   148_B     P   148_B    100  144  281     55   79   98  125  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     M   149_B     M   149_B    100  144  281      4   27   81  109  151  194  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     Q   150_B     Q   150_B    100  144  281     11   67   89  108  158  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     F   151_B     F   151_B    100  144  281      3    9   38  108  156  197  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     D   152_B     D   152_B      6  143  281      7   32   56   74  103  155  214  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     N   153_B     N   153_B      6  125  281      4    6   34   51   72   99  137  151  207  241  248  257  262  265  270  271  274  275  276  277 
LCS_GDT     P   154_B     P   154_B      6  121  281      4   13   35   48   58   94  111  138  183  223  240  253  262  265  270  271  274  275  276  277 
LCS_GDT     A   155_B     A   155_B      6  110  281      4    6    8    9   10   12   14   30   72   84   96  117  147  178  212  245  259  271  275  276 
LCS_GDT     H   160_B     H   160_B      4   18  281      3    4    4    7   17   20   24   27   32   43   51   84  103  152  233  262  265  270  274  277 
LCS_GDT     E   161_B     E   161_B      4   18  281      3    4    5   15   22   29   69  112  170  206  228  249  255  265  270  271  274  275  276  277 
LCS_GDT     E   162_B     E   162_B     12   18  281      3    6   24   46   69  100  112  143  198  230  247  257  262  265  270  271  274  275  276  277 
LCS_GDT     T   163_B     T   163_B     12   18  281      8   11   14   18   28   54   78  121  160  201  225  244  255  265  270  271  274  275  276  277 
LCS_GDT     T   164_B     T   164_B     12   18  281      9   11   14   18   22   26   43   74  111  156  212  234  251  258  267  271  274  275  276  277 
LCS_GDT     G   165_B     G   165_B     12   18  281      9   11   14   18   33   58  100  156  200  224  245  253  262  265  270  271  274  275  276  277 
LCS_GDT     K   166_B     K   166_B     12   18  281      9   11   14   32   51   85  134  187  216  242  249  257  262  265  270  271  274  275  276  277 
LCS_GDT     E   167_B     E   167_B     12   18  281      9   12   28   46   55   75  100  140  148  174  212  241  257  265  270  271  274  275  276  277 
LCS_GDT     I   168_B     I   168_B     12   45  281      9   11   14   22   48   68  111  134  147  154  182  233  251  265  270  271  274  275  276  277 
LCS_GDT     L   169_B     L   169_B     12   45  281      9   18   46   95  125  138  142  148  165  212  244  254  262  265  270  271  274  275  276  277 
LCS_GDT     E   170_B     E   170_B     12   45  281      9   17   49   94  120  137  141  144  151  164  189  233  253  265  270  271  274  275  276  277 
LCS_GDT     A   171_B     A   171_B     12   45  281      9   11   15   30   64   99  120  137  145  151  156  168  198  228  256  267  274  275  276  277 
LCS_GDT     F   172_B     F   172_B     12   45  281      9   11   14   23   59   99  120  139  145  151  158  174  232  245  266  271  274  275  276  277 
LCS_GDT     G   173_B     G   173_B     12   45  281      5   11   17   34   48   85  114  136  145  151  155  164  198  245  256  266  274  275  276  277 
LCS_GDT     D   174_B     D   174_B      4   45  281      4    6   14   29   48   75  102  134  145  151  155  164  177  218  256  264  271  275  276  277 
LCS_GDT     D   175_B     D   175_B      4   45  281      4    6   17   35   59  102  130  142  147  153  179  210  250  260  270  271  274  275  276  277 
LCS_GDT     I   176_B     I   176_B     37   45  281      9   89  109  127  133  139  167  222  240  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     P   177_B     P   177_B     37   45  281     77   99  116  127  147  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     D   178_B     D   178_B     37   45  281     77   99  116  127  162  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     A   179_B     A   179_B     37   45  281     77   99  116  127  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     F   180_B     F   180_B     37   45  281     77   99  116  127  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     V   181_B     V   181_B     37   45  281     77   99  116  127  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     A   182_B     A   182_B     37   45  281     77   99  116  127  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     G   183_B     G   183_B     37   45  281     28   93  116  127  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     V   184_B     V   184_B     37   45  281     13   90  114  127  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     G   185_B     G   185_B     37   45  281     28   65   99  126  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     T   186_B     T   186_B     37   45  281      6   28   63  104  131  143  175  233  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     G   187_B     G   187_B     37   45  281      7   52  107  127  153  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     G   188_B     G   188_B     37   45  281      7   36   70  115  131  148  214  234  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     T   189_B     T   189_B     37   45  281      6   36   56  103  131  187  222  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     L   190_B     L   190_B     37  100  281     19   53  116  127  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     T   191_B     T   191_B     37  100  281     19   69  116  127  162  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     G   192_B     G   192_B     37  100  281     19   54  106  127  153  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     V   193_B     V   193_B     37  100  281     19   69  116  127  158  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     G   194_B     G   194_B     37  100  281     19   97  116  127  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     H   195_B     H   195_B     37  100  281     19   93  116  127  162  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     A   196_B     A   196_B     37  100  281     19   98  116  127  153  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     L   197_B     L   197_B     37  100  281     58   99  116  127  162  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     K   198_B     K   198_B     37  100  281     39   98  116  127  162  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     K   199_B     K   199_B     37  100  281     18   98  116  127  162  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     A   200_B     A   200_B     37  100  281     28   98  116  127  162  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     N   201_B     N   201_B     37  100  281     26   98  116  127  162  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     P   202_B     P   202_B     37  100  281     26   98  116  127  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     N   203_B     N   203_B     37  100  281     42   99  116  127  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     V   204_B     V   204_B     37  100  281     76   99  116  127  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     Q   205_B     Q   205_B     37  100  281     77   99  116  127  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     I   206_B     I   206_B     37  100  281     77   99  116  127  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     Y   207_B     Y   207_B     37  100  281     77   99  116  127  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     A   208_B     A   208_B     37  100  281     77   99  116  127  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     L   209_B     L   209_B     37  100  281     77   99  116  127  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     E   210_B     E   210_B     37  100  281     77   99  116  127  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     P   211_B     P   211_B     37  100  281     36   96  116  127  155  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     A   212_B     A   212_B     37  100  281     25   89  114  127  154  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     P   236_B     P   236_B      3  100  281      0    3    3    7   10   27   35   51   92  136  149  151  156  184  191  198  226  252  267  273 
LCS_GDT     K   237_B     K   237_B      3  100  281      0    3    3    3    4    9   22   50  103  117  127  135  153  184  191  198  241  252  260  273 
LCS_GDT     V   238_B     V   238_B      5  100  281      3    5    6    9   17   29   44   58   70   82  100  124  149  160  173  198  209  217  247  273 
LCS_GDT     L   239_B     L   239_B      5  100  281      5    8   13   31   64  116  140  142  156  169  200  253  258  265  270  271  274  275  276  277 
LCS_GDT     D   240_B     D   240_B     74  100  281      5   10   68  102  129  138  143  186  221  241  249  257  262  265  270  271  274  275  276  277 
LCS_GDT     T   241_B     T   241_B     74  100  281      6   53  112  127  149  192  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     D   242_B     D   242_B     74  100  281     55   99  116  127  162  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     V   243_B     V   243_B     74  100  281     19   98  116  127  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     Y   244_B     Y   244_B     74  100  281     58   99  116  127  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     N   245_B     N   245_B     74  100  281     36   99  116  127  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     G   246_B     G   246_B     74  100  281     62   99  116  127  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     I   247_B     I   247_B     74  100  281     77   99  116  127  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     L   248_B     L   248_B     74  100  281     77   99  116  127  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     E   249_B     E   249_B     74  100  281     53   99  116  127  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     I   250_B     I   250_B     74  100  281     77   99  116  127  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     K   251_B     K   251_B     74  100  281     77   99  116  127  143  197  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     S   252_B     S   252_B     74  100  281     77   99  116  127  133  182  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     D   253_B     D   253_B     74  100  281     77   99  116  127  133  181  220  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     D   254_B     D   254_B     74  100  281     77   99  116  127  155  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     A   255_B     A   255_B     74  100  281     77   99  116  127  161  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     I   256_B     I   256_B     74  100  281     77   99  116  127  133  190  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     T   257_B     T   257_B     74  100  281     77   99  116  127  143  190  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     M   258_B     M   258_B     74  100  281     77   99  116  127  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     A   259_B     A   259_B     74  100  281     77   99  116  127  162  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     R   260_B     R   260_B     74  100  281     77   99  116  127  146  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     E   261_B     E   261_B     74  100  281     77   99  116  127  161  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     V   262_B     V   262_B     74  100  281     77   99  116  127  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     G   263_B     G   263_B     74  100  281     77   99  116  127  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     H   264_B     H   264_B     74  100  281     77   99  116  127  162  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     Q   265_B     Q   265_B     74  100  281     77   99  116  127  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     E   266_B     E   266_B     74  100  281     77   99  116  127  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     G   267_B     G   267_B     74  100  281     77   99  116  127  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     I   268_B     I   268_B     74  100  281     77   99  116  127  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     L   269_B     L   269_B     74  100  281     77   99  116  127  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     V   270_B     V   270_B     74  100  281     65   99  116  127  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     G   271_B     G   271_B     74  100  281     62   99  116  127  133  184  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     I   272_B     I   272_B     74  100  281     77   99  116  127  133  190  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     S   273_B     S   273_B     74  100  281     77   99  116  127  159  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     A   274_B     A   274_B     74  100  281     77   99  116  127  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     G   275_B     G   275_B     74  100  281     77   99  116  127  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     A   276_B     A   276_B     74  100  281     77   99  116  127  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     N   277_B     N   277_B     74  100  281     77   99  116  127  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     I   278_B     I   278_B     74  100  281     77   99  116  127  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     K   279_B     K   279_B     74  100  281     77   99  116  127  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     G   280_B     G   280_B     74  100  281     77   99  116  127  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     A   281_B     A   281_B     74  100  281     77   99  116  127  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     I   282_B     I   282_B     74  100  281     77   99  116  127  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     E   283_B     E   283_B     74  100  281     77   99  116  127  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     V   284_B     V   284_B     74  100  281     77   99  116  127  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     A   285_B     A   285_B     74  100  281     77   99  116  127  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     K   286_B     K   286_B     74  100  281     77   99  116  127  162  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     K   287_B     K   287_B     74  100  281     77   99  116  127  162  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     L   288_B     L   288_B     74  100  281     77   99  116  127  162  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     G   289_B     G   289_B     74  100  281     77   99  116  127  133  198  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     K   290_B     K   290_B     74  100  281     77   99  116  127  133  187  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     G   291_B     G   291_B     74  100  281     77   99  116  127  133  180  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     K   292_B     K   292_B     74  100  281     77   99  116  127  138  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     Q   293_B     Q   293_B     74  100  281     77   99  116  127  162  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     V   294_B     V   294_B     74  100  281     77   99  116  127  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     I   295_B     I   295_B     74  100  281     77   99  116  127  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     T   296_B     T   296_B     74  100  281     77   99  116  127  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     V   297_B     V   297_B     74  100  281     77   99  116  127  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     A   298_B     A   298_B     74  100  281     77   99  116  127  163  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     P   299_B     P   299_B     74  100  281     77   99  116  127  155  200  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     D   300_B     D   300_B     74  100  281     20   81  114  127  133  162  214  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     G   301_B     G   301_B     74  100  281     30   99  116  127  140  178  221  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     G   302_B     G   302_B     74  100  281     54   99  116  127  133  162  214  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     D   303_B     D   303_B     74  100  281     57   99  116  127  133  178  223  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     R   304_B     R   304_B     74  100  281     43   99  116  127  133  142  214  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     Y   305_B     Y   305_B     74  100  281     47   99  116  127  133  142  200  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     L   306_B     L   306_B     74  100  281     36   99  116  127  133  144  214  236  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     S   307_B     S   307_B     74  100  281     36   99  115  127  133  139  149  194  244  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     T   308_B     T   308_B     74  100  281      9   93  114  127  133  139  147  163  226  249  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     E   309_B     E   309_B     74  100  281      9   46  112  126  133  139  147  163  209  245  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     L   310_B     L   310_B     74  100  281      9   82  112  127  133  139  165  216  244  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     F   311_B     F   311_B     74  100  281      9   97  116  127  133  144  187  230  246  250  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     N   312_B     N   312_B     74  100  281      3    5  108  126  133  139  147  166  217  243  254  257  262  265  270  271  274  275  276  277 
LCS_GDT     Y   313_B     Y   313_B     74   98  281      3   13   24   46  130  137  152  176  217  244  254  257  262  265  270  271  274  275  276  277 
LCS_AVERAGE  LCS_A:  54.80  (  23.23   41.16  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     77     99    116    127    163    200    223    236    246    250    254    257    262    265    270    271    274    275    276    277 
GDT PERCENT_AT  27.40  35.23  41.28  45.20  58.01  71.17  79.36  83.99  87.54  88.97  90.39  91.46  93.24  94.31  96.09  96.44  97.51  97.86  98.22  98.58
GDT RMS_LOCAL    3.61   0.45   0.69   0.83   1.64   1.98   2.16   2.29   2.43   2.51   2.63   2.72   2.87   3.10   3.17   3.22   3.38   3.44   3.47   3.54
GDT RMS_ALL_AT   6.31   6.28   5.97   6.09   4.04   3.95   3.96   3.95   3.94   3.94   3.93   3.91   3.90   3.87   3.88   3.87   3.87   3.87   3.87   3.87

# Checking swapping
#   possible swapping detected:  F    43_B      F    43_B
#   possible swapping detected:  E    60_B      E    60_B
#   possible swapping detected:  E    61_B      E    61_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   240_B      D   240_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     2.216     0    0.191   1.051     6.362   44.524   43.429
LGA    H     7_B      H     7_B     8.249     0    0.634   1.232    14.845   10.476    4.190
LGA    T     8_B      T     8_B     5.316     0    0.016   0.086     6.232   22.738   26.667
LGA    K     9_B      K     9_B     4.427     4    0.060   0.138     4.622   37.262   20.688
LGA    I    10_B      I    10_B     4.156     0    0.044   0.590     6.378   38.690   33.274
LGA    T    11_B      T    11_B     3.443     0    0.022   0.116     3.603   48.333   50.068
LGA    N    12_B      N    12_B     3.555     0    0.025   1.117     5.861   48.333   41.548
LGA    S    13_B      S    13_B     2.636     0    0.089   0.139     2.991   60.952   59.683
LGA    I    14_B      I    14_B     1.357     0    0.053   0.134     1.891   81.548   82.619
LGA    V    15_B      V    15_B     0.917     0    0.034   0.290     1.941   85.952   81.565
LGA    N    16_B      N    16_B     2.116     0    0.047   0.147     3.204   64.881   60.119
LGA    L    17_B      L    17_B     2.098     0    0.102   0.130     2.696   68.810   66.845
LGA    I    18_B      I    18_B     2.018     0    0.044   0.094     2.789   62.976   69.048
LGA    G    19_B      G    19_B     3.917     0    0.678   0.678     4.524   42.024   42.024
LGA    N    20_B      N    20_B     3.842     0    0.068   0.288     4.973   46.905   43.690
LGA    T    21_B      T    21_B     3.072     0    0.036   0.122     3.800   50.119   48.163
LGA    P    22_B      P    22_B     1.944     0    0.019   0.079     2.240   70.833   72.925
LGA    I    23_B      I    23_B     1.665     0    0.079   0.088     3.154   75.000   67.083
LGA    V    24_B      V    24_B     1.296     0    0.046   0.221     1.972   81.429   78.980
LGA    K    25_B      K    25_B     1.453     0    0.033   0.149     2.774   81.429   72.222
LGA    L    26_B      L    26_B     1.293     0    0.021   0.068     1.661   77.143   79.286
LGA    N    27_B      N    27_B     2.134     0    0.036   0.205     2.789   64.881   65.833
LGA    R    28_B      R    28_B     2.438     0    0.044   0.530     3.300   59.167   57.965
LGA    V    29_B      V    29_B     2.382     0    0.053   0.065     2.448   64.762   65.918
LGA    V    30_B      V    30_B     2.256     0    0.029   1.367     3.600   60.952   58.571
LGA    P    31_B      P    31_B     2.944     0    0.017   0.058     3.173   55.357   56.190
LGA    E    32_B      E    32_B     3.219     4    0.056   0.074     3.439   50.000   27.778
LGA    D    33_B      D    33_B     3.618     0    0.037   0.705     3.995   45.000   49.583
LGA    A    34_B      A    34_B     3.073     0    0.012   0.022     3.306   50.000   51.429
LGA    A    35_B      A    35_B     2.750     0    0.025   0.051     2.875   60.952   60.190
LGA    D    36_B      D    36_B     2.175     0    0.057   0.141     3.109   68.810   63.036
LGA    V    37_B      V    37_B     1.372     0    0.057   0.104     1.714   79.286   80.204
LGA    Y    38_B      Y    38_B     1.371     0    0.037   0.203     3.452   81.429   66.032
LGA    V    39_B      V    39_B     1.075     0    0.051   0.057     1.353   81.429   84.014
LGA    K    40_B      K    40_B     1.897     0    0.033   0.508     4.252   72.857   58.995
LGA    L    41_B      L    41_B     1.977     0    0.052   0.085     2.704   66.905   70.952
LGA    E    42_B      E    42_B     2.447     0    0.123   0.980     5.866   60.952   51.481
LGA    F    43_B      F    43_B     3.069     0    0.027   0.265     3.874   50.119   51.515
LGA    F    44_B      F    44_B     4.059     0    0.232   0.726     6.074   32.262   43.030
LGA    N    45_B      N    45_B     4.256     0    0.105   1.033     5.421   43.690   37.619
LGA    P    46_B      P    46_B     5.469     0    0.025   0.137     7.788   29.048   21.497
LGA    G    47_B      G    47_B     2.494     0    0.122   0.122     5.395   49.762   49.762
LGA    G    48_B      G    48_B     4.252     0    0.084   0.084     5.836   36.429   36.429
LGA    S    49_B      S    49_B     3.418     0    0.063   0.074     3.449   50.000   50.000
LGA    I    50_B      I    50_B     3.415     0    0.182   1.128     5.746   51.786   48.274
LGA    K    51_B      K    51_B     3.370     2    0.159   0.791     3.727   48.333   39.947
LGA    D    52_B      D    52_B     2.488     0    0.029   0.270     3.796   66.905   57.679
LGA    R    53_B      R    53_B     0.832     0    0.095   0.948     7.201   83.690   54.632
LGA    I    54_B      I    54_B     2.263     0    0.094   1.356     5.433   64.881   53.274
LGA    A    55_B      A    55_B     2.557     0    0.051   0.066     2.910   62.857   61.714
LGA    L    56_B      L    56_B     1.334     0    0.049   0.155     1.751   79.286   84.881
LGA    A    57_B      A    57_B     1.361     0    0.074   0.070     1.498   81.429   81.429
LGA    M    58_B      M    58_B     1.686     0    0.089   0.228     2.532   72.857   68.869
LGA    I    59_B      I    59_B     1.311     0    0.036   0.066     1.795   81.429   80.357
LGA    E    60_B      E    60_B     1.177     0    0.009   0.135     1.234   81.429   81.429
LGA    E    61_B      E    61_B     1.204     0    0.022   1.054     3.870   81.429   71.270
LGA    A    62_B      A    62_B     1.240     0    0.022   0.032     1.341   81.429   81.429
LGA    E    63_B      E    63_B     1.373     0    0.018   0.182     1.577   81.429   80.476
LGA    K    64_B      K    64_B     1.374     4    0.040   0.055     1.426   81.429   45.238
LGA    A    65_B      A    65_B     1.160     0    0.069   0.080     1.408   83.690   83.238
LGA    G    66_B      G    66_B     1.286     0    0.145   0.145     1.518   79.286   79.286
LGA    K    67_B      K    67_B     1.196     4    0.067   0.095     1.362   81.429   45.238
LGA    L    68_B      L    68_B     1.245     0    0.063   0.135     1.478   81.429   82.560
LGA    Q    69_B      Q    69_B     1.899     4    0.055   0.101     2.529   75.000   39.683
LGA    A    70_B      A    70_B     1.502     0    0.060   0.072     1.661   75.000   74.571
LGA    G    71_B      G    71_B     1.380     0    0.057   0.057     1.515   79.286   79.286
LGA    G    72_B      G    72_B     1.286     0    0.035   0.035     1.327   81.429   81.429
LGA    T    73_B      T    73_B     1.341     0    0.038   0.045     1.674   81.429   80.204
LGA    I    74_B      I    74_B     0.995     0    0.025   0.082     1.160   88.214   89.345
LGA    V    75_B      V    75_B     1.078     0    0.029   0.111     1.426   85.952   84.014
LGA    E    76_B      E    76_B     0.931     0    0.038   0.245     1.023   88.214   89.471
LGA    P    77_B      P    77_B     1.227     0    0.069   0.104     1.437   81.429   81.429
LGA    T    78_B      T    78_B     1.256     0    0.177   0.354     2.065   77.262   77.823
LGA    S    79_B      S    79_B     1.146     0    0.708   0.632     3.366   73.571   74.762
LGA    G    80_B      G    80_B     1.634     0    0.014   0.014     1.680   75.000   75.000
LGA    N    81_B      N    81_B     1.971     3    0.117   0.144     2.629   72.857   43.571
LGA    T    82_B      T    82_B     2.147     0    0.069   0.183     2.774   68.810   63.810
LGA    G    83_B      G    83_B     0.968     0    0.027   0.027     1.257   88.214   88.214
LGA    V    84_B      V    84_B     1.224     0    0.017   0.104     1.716   81.429   77.755
LGA    G    85_B      G    85_B     1.827     0    0.023   0.023     1.858   72.857   72.857
LGA    L    86_B      L    86_B     1.570     0    0.023   1.339     2.689   75.000   74.345
LGA    A    87_B      A    87_B     1.004     0    0.010   0.031     1.180   81.429   83.238
LGA    M    88_B      M    88_B     1.551     0    0.080   0.984     2.145   75.000   73.988
LGA    V    89_B      V    89_B     2.174     0    0.038   0.080     2.440   66.786   65.918
LGA    A    90_B      A    90_B     1.777     0    0.026   0.047     2.138   70.833   72.952
LGA    A    91_B      A    91_B     1.563     0    0.025   0.040     2.147   70.833   72.952
LGA    A    92_B      A    92_B     2.452     0    0.125   0.117     2.512   64.762   63.238
LGA    K    93_B      K    93_B     2.546     0    0.055   0.695     2.728   59.048   64.074
LGA    G    94_B      G    94_B     2.415     0    0.117   0.117     2.415   64.762   64.762
LGA    Y    95_B      Y    95_B     1.455     0    0.022   0.165     1.712   77.143   79.286
LGA    H    96_B      H    96_B     1.334     0    0.035   0.986     6.461   81.429   56.000
LGA    L    97_B      L    97_B     0.804     0    0.021   0.109     0.886   90.476   91.667
LGA    V    98_B      V    98_B     1.037     0    0.042   0.068     1.164   85.952   84.014
LGA    I    99_B      I    99_B     0.956     0    0.033   0.641     1.874   85.952   86.012
LGA    T   100_B      T   100_B     1.220     0    0.041   0.063     1.394   81.429   81.429
LGA    M   101_B      M   101_B     1.545     0    0.015   0.350     1.722   75.000   76.071
LGA    P   102_B      P   102_B     1.861     0    0.016   0.254     2.049   72.857   72.925
LGA    E   103_B      E   103_B     2.012     0    0.036   0.196     3.031   64.762   61.429
LGA    T   104_B      T   104_B     2.319     0    0.045   0.061     2.635   64.762   61.497
LGA    M   105_B      M   105_B     2.688     0    0.090   1.083     3.772   53.810   57.500
LGA    S   106_B      S   106_B     3.240     0    0.399   0.745     5.901   57.262   46.984
LGA    V   107_B      V   107_B     3.129     0    0.645   0.649     4.395   48.571   43.673
LGA    E   108_B      E   108_B     2.984     0    0.058   1.465     5.650   59.167   47.302
LGA    R   109_B      R   109_B     1.081     4    0.055   0.653     1.660   83.810   54.329
LGA    R   110_B      R   110_B     1.080     0    0.143   1.031     3.252   83.690   74.069
LGA    K   111_B      K   111_B     1.143     0    0.045   0.484     2.874   85.952   76.032
LGA    L   112_B      L   112_B     0.791     0    0.036   1.368     3.629   90.476   75.357
LGA    M   113_B      M   113_B     0.595     0    0.010   0.244     1.043   92.857   90.536
LGA    Q   114_B      Q   114_B     0.529     0    0.030   0.060     0.983   92.857   91.534
LGA    G   115_B      G   115_B     0.540     0    0.017   0.017     0.540   95.238   95.238
LGA    Y   116_B      Y   116_B     0.451     0    0.069   0.086     1.018   95.238   92.103
LGA    G   117_B      G   117_B     0.479     0    0.038   0.038     0.808   95.238   95.238
LGA    A   118_B      A   118_B     0.572     0    0.078   0.095     0.903   92.857   94.286
LGA    E   119_B      E   119_B     0.929     0    0.045   0.613     2.533   85.952   78.836
LGA    L   120_B      L   120_B     1.017     0    0.061   0.335     1.623   81.548   81.548
LGA    I   121_B      I   121_B     1.317     1    0.012   0.049     1.525   81.429   70.179
LGA    L   122_B      L   122_B     1.569     0    0.024   0.051     1.895   75.000   76.071
LGA    T   123_B      T   123_B     2.190     0    0.042   0.077     2.373   66.786   65.918
LGA    P   124_B      P   124_B     2.718     0    0.022   0.121     3.067   57.143   56.122
LGA    G   125_B      G   125_B     2.970     0    0.042   0.042     3.309   53.571   53.571
LGA    A   126_B      A   126_B     3.907     0    0.021   0.043     4.257   43.333   42.095
LGA    D   127_B      D   127_B     2.820     0    0.048   0.456     4.252   57.262   54.762
LGA    G   128_B      G   128_B     2.457     0    0.044   0.044     2.615   62.857   62.857
LGA    M   129_B      M   129_B     2.060     0    0.073   0.578     3.249   66.786   62.976
LGA    K   130_B      K   130_B     2.304     4    0.023   0.082     2.306   64.762   35.979
LGA    G   131_B      G   131_B     2.242     0    0.024   0.024     2.312   64.762   64.762
LGA    A   132_B      A   132_B     1.724     0    0.036   0.054     1.959   72.857   72.857
LGA    I   133_B      I   133_B     1.640     0    0.045   0.094     1.786   72.857   72.857
LGA    A   134_B      A   134_B     2.115     0    0.032   0.045     2.385   64.762   64.762
LGA    K   135_B      K   135_B     1.883     0    0.029   0.668     1.977   72.857   74.762
LGA    A   136_B      A   136_B     1.518     0    0.013   0.027     1.669   72.857   74.571
LGA    E   137_B      E   137_B     1.656     2    0.048   0.081     1.890   72.857   56.667
LGA    E   138_B      E   138_B     1.903     0    0.062   0.743     4.171   72.857   62.169
LGA    L   139_B      L   139_B     1.561     0    0.021   0.128     1.692   72.857   75.000
LGA    V   140_B      V   140_B     1.722     0    0.114   0.161     2.118   72.857   71.701
LGA    K   141_B      K   141_B     2.005     4    0.053   0.073     2.265   68.810   37.778
LGA    E   142_B      E   142_B     1.676     4    0.035   0.098     1.844   72.857   41.429
LGA    K   143_B      K   143_B     1.546     4    0.044   0.059     1.706   72.857   41.429
LGA    G   144_B      G   144_B     1.862     0    0.036   0.036     1.862   72.857   72.857
LGA    Y   145_B      Y   145_B     1.436     0    0.052   0.061     1.670   77.143   80.000
LGA    F   146_B      F   146_B     1.072     0    0.034   0.128     1.292   81.429   82.251
LGA    M   147_B      M   147_B     1.110     0    0.017   0.137     1.282   81.429   81.429
LGA    P   148_B      P   148_B     1.176     0    0.634   0.728     2.510   75.357   79.252
LGA    M   149_B      M   149_B     3.101     3    0.347   0.365     3.517   61.190   36.012
LGA    Q   150_B      Q   150_B     3.059     4    0.707   0.641     4.898   48.571   25.079
LGA    F   151_B      F   151_B     2.881     0    0.099   1.288    11.613   66.905   28.701
LGA    D   152_B      D   152_B     4.110     3    0.172   0.177     6.080   37.619   21.488
LGA    N   153_B      N   153_B     7.146     3    0.109   0.133     8.128   15.833    8.512
LGA    P   154_B      P   154_B     8.192     0    0.217   0.223    10.459    3.095    2.177
LGA    A   155_B      A   155_B    12.788     0    0.589   0.585    14.601    0.000    0.000
LGA    H   160_B      H   160_B    12.514     5    0.640   0.626    13.341    0.000    0.000
LGA    E   161_B      E   161_B     8.654     0    0.159   0.747     9.877    4.405    5.450
LGA    E   162_B      E   162_B     7.171     0    0.159   0.985     8.031   10.119    9.841
LGA    T   163_B      T   163_B     8.901     0    0.141   1.180    10.596    2.619    2.585
LGA    T   164_B      T   164_B     9.732     0    0.060   0.167    10.618    1.190    0.680
LGA    G   165_B      G   165_B     7.622     0    0.045   0.045     8.276    7.976    7.976
LGA    K   166_B      K   166_B     6.884     4    0.022   0.079     7.635    9.405    6.085
LGA    E   167_B      E   167_B     9.279     0    0.095   0.885    10.016    2.024    1.587
LGA    I   168_B      I   168_B     9.438     0    0.016   0.043    10.139    1.786    1.250
LGA    L   169_B      L   169_B     7.781     0    0.022   1.170     8.647    4.881   11.310
LGA    E   170_B      E   170_B     9.268     0    0.050   0.857    10.416    1.071    1.429
LGA    A   171_B      A   171_B    11.136     0    0.060   0.065    11.833    0.000    0.000
LGA    F   172_B      F   172_B    10.150     0    0.108   0.136    10.294    0.000    0.563
LGA    G   173_B      G   173_B    10.767     0    0.659   0.659    10.767    0.119    0.119
LGA    D   174_B      D   174_B    11.536     0    0.163   0.277    14.735    0.000    0.000
LGA    D   175_B      D   175_B     9.340     0    0.273   0.865    10.231    2.738    1.548
LGA    I   176_B      I   176_B     5.358     0    0.089   0.623     6.974   25.595   26.310
LGA    P   177_B      P   177_B     3.364     0    0.127   0.439     4.294   48.571   47.415
LGA    D   178_B      D   178_B     2.893     0    0.037   0.276     4.961   57.262   49.643
LGA    A   179_B      A   179_B     2.054     0    0.056   0.053     2.408   68.810   69.619
LGA    F   180_B      F   180_B     1.785     0    0.012   0.201     2.344   72.857   70.649
LGA    V   181_B      V   181_B     1.234     0    0.018   0.064     1.446   81.429   84.014
LGA    A   182_B      A   182_B     1.774     0    0.109   0.129     2.098   72.857   71.238
LGA    G   183_B      G   183_B     1.641     0    0.121   0.121     1.717   79.405   79.405
LGA    V   184_B      V   184_B     1.855     0    0.172   1.118     3.711   70.833   65.238
LGA    G   185_B      G   185_B     2.406     0    0.081   0.081     3.650   55.714   55.714
LGA    T   186_B      T   186_B     4.818     0    0.070   0.126     6.367   31.905   26.803
LGA    G   187_B      G   187_B     3.312     0    0.135   0.135     3.627   46.667   46.667
LGA    G   188_B      G   188_B     4.565     0    0.114   0.114     4.565   35.714   35.714
LGA    T   189_B      T   189_B     3.992     0    0.038   0.146     4.605   45.000   40.816
LGA    L   190_B      L   190_B     2.441     0    0.032   0.257     2.822   62.857   64.881
LGA    T   191_B      T   191_B     2.742     0    0.059   0.083     3.447   57.143   55.102
LGA    G   192_B      G   192_B     3.531     0    0.008   0.008     3.531   48.333   48.333
LGA    V   193_B      V   193_B     3.259     0    0.043   0.087     3.476   51.786   51.020
LGA    G   194_B      G   194_B     2.444     0    0.059   0.059     2.666   62.857   62.857
LGA    H   195_B      H   195_B     2.798     0    0.015   0.395     3.279   53.571   55.810
LGA    A   196_B      A   196_B     3.549     0    0.047   0.051     3.863   46.667   46.000
LGA    L   197_B      L   197_B     3.118     0    0.014   0.059     3.706   51.786   51.845
LGA    K   198_B      K   198_B     2.591     0    0.091   0.389     2.641   59.048   66.772
LGA    K   199_B      K   199_B     2.952     2    0.088   0.159     2.994   57.143   44.444
LGA    A   200_B      A   200_B     3.241     0    0.026   0.044     3.335   50.000   50.000
LGA    N   201_B      N   201_B     2.976     0    0.031   0.139     3.751   55.357   52.738
LGA    P   202_B      P   202_B     2.345     0    0.092   0.117     2.675   62.857   61.497
LGA    N   203_B      N   203_B     2.367     0    0.032   1.106     3.256   64.762   61.071
LGA    V   204_B      V   204_B     2.426     0    0.032   0.053     2.609   66.786   62.653
LGA    Q   205_B      Q   205_B     1.990     0    0.056   0.912     3.268   70.833   68.519
LGA    I   206_B      I   206_B     1.839     0    0.018   0.051     2.262   72.857   69.821
LGA    Y   207_B      Y   207_B     1.438     0    0.036   0.078     1.600   75.000   79.325
LGA    A   208_B      A   208_B     1.922     0    0.015   0.027     2.208   72.857   71.238
LGA    L   209_B      L   209_B     1.888     0    0.030   0.275     2.572   68.810   69.940
LGA    E   210_B      E   210_B     2.423     0    0.032   0.387     2.522   62.857   66.614
LGA    P   211_B      P   211_B     2.901     0    0.091   0.284     3.262   57.143   56.122
LGA    A   212_B      A   212_B     3.106     0    0.572   0.513     3.249   51.786   51.429
LGA    P   236_B      P   236_B    14.276     0    0.492   0.761    15.480    0.000    0.000
LGA    K   237_B      K   237_B    14.698     0    0.516   1.026    17.058    0.000    0.000
LGA    V   238_B      V   238_B    14.538     0    0.593   0.920    16.965    0.000    0.000
LGA    L   239_B      L   239_B     8.708     0    0.189   1.437    10.790    3.095    8.571
LGA    D   240_B      D   240_B     7.173     0    0.063   0.105     8.774   18.690   13.631
LGA    T   241_B      T   241_B     3.584     0    0.150   0.201     5.488   51.190   42.041
LGA    D   242_B      D   242_B     2.784     0    0.156   0.157     4.253   55.357   50.238
LGA    V   243_B      V   243_B     2.078     0    0.153   0.181     2.371   68.810   71.769
LGA    Y   244_B      Y   244_B     1.586     0    0.081   0.963     4.841   79.405   64.762
LGA    N   245_B      N   245_B     1.357     0    0.026   0.204     1.681   79.286   78.214
LGA    G   246_B      G   246_B     1.456     0    0.066   0.066     1.456   81.429   81.429
LGA    I   247_B      I   247_B     1.242     0    0.041   0.107     1.437   81.429   81.429
LGA    L   248_B      L   248_B     1.005     0    0.045   0.102     1.462   81.429   88.333
LGA    E   249_B      E   249_B     1.876     0    0.159   0.450     3.774   68.810   64.233
LGA    I   250_B      I   250_B     2.398     0    0.037   0.108     2.843   60.952   64.881
LGA    K   251_B      K   251_B     3.251     2    0.027   0.105     3.800   51.786   38.201
LGA    S   252_B      S   252_B     3.638     0    0.013   0.589     4.950   43.333   41.349
LGA    D   253_B      D   253_B     3.879     0    0.032   0.971     7.037   43.333   31.905
LGA    D   254_B      D   254_B     3.034     0    0.029   0.559     3.966   53.571   50.119
LGA    A   255_B      A   255_B     2.682     0    0.056   0.064     2.911   57.143   57.143
LGA    I   256_B      I   256_B     3.515     0    0.010   0.108     4.361   48.333   43.512
LGA    T   257_B      T   257_B     3.419     0    0.026   0.109     3.950   50.000   47.143
LGA    M   258_B      M   258_B     2.419     0    0.017   0.810     3.235   62.857   63.988
LGA    A   259_B      A   259_B     2.586     0    0.057   0.057     2.822   57.143   57.143
LGA    R   260_B      R   260_B     3.146     0    0.023   1.378     9.101   53.571   33.030
LGA    E   261_B      E   261_B     2.728     0    0.022   0.173     3.332   60.952   55.661
LGA    V   262_B      V   262_B     1.790     0    0.009   0.059     2.055   70.833   71.701
LGA    G   263_B      G   263_B     2.194     0    0.054   0.054     2.279   64.762   64.762
LGA    H   264_B      H   264_B     2.648     0    0.113   0.263     3.894   62.857   55.238
LGA    Q   265_B      Q   265_B     2.228     0    0.066   1.055     4.322   68.810   62.857
LGA    E   266_B      E   266_B     1.381     0    0.047   0.156     1.614   79.286   80.476
LGA    G   267_B      G   267_B     1.379     0    0.044   0.044     1.383   81.429   81.429
LGA    I   268_B      I   268_B     1.296     0    0.055   0.120     1.872   77.143   81.548
LGA    L   269_B      L   269_B     2.324     0    0.040   0.108     3.516   64.881   57.500
LGA    V   270_B      V   270_B     2.483     0    0.051   0.056     3.178   59.167   62.721
LGA    G   271_B      G   271_B     3.486     0    0.049   0.049     3.486   50.000   50.000
LGA    I   272_B      I   272_B     3.313     0    0.027   0.226     4.762   53.571   47.024
LGA    S   273_B      S   273_B     2.742     0    0.121   0.566     3.075   59.167   57.302
LGA    A   274_B      A   274_B     1.907     0    0.022   0.049     2.128   72.976   71.333
LGA    G   275_B      G   275_B     1.983     0    0.027   0.027     1.983   72.857   72.857
LGA    A   276_B      A   276_B     2.067     0    0.021   0.034     2.356   68.810   68.000
LGA    N   277_B      N   277_B     1.510     0    0.040   0.107     2.111   77.143   74.048
LGA    I   278_B      I   278_B     1.120     0    0.046   0.112     1.303   81.429   81.429
LGA    K   279_B      K   279_B     1.574     0    0.011   0.175     3.133   79.286   69.630
LGA    G   280_B      G   280_B     1.071     0    0.015   0.015     1.249   85.952   85.952
LGA    A   281_B      A   281_B     0.756     0    0.023   0.039     1.168   88.214   88.667
LGA    I   282_B      I   282_B     1.405     0    0.041   0.089     2.077   75.119   73.988
LGA    E   283_B      E   283_B     1.669     0    0.106   0.217     2.180   70.833   72.910
LGA    V   284_B      V   284_B     1.383     0    0.022   0.036     1.984   77.143   80.272
LGA    A   285_B      A   285_B     1.847     0    0.020   0.050     2.514   66.905   68.095
LGA    K   286_B      K   286_B     2.557     0    0.041   0.348     3.903   57.262   56.508
LGA    K   287_B      K   287_B     2.623     2    0.112   0.194     3.037   57.262   47.937
LGA    L   288_B      L   288_B     2.941     0    0.016   0.181     3.628   51.905   54.583
LGA    G   289_B      G   289_B     3.511     0    0.016   0.016     3.605   45.000   45.000
LGA    K   290_B      K   290_B     3.827     2    0.030   0.498     4.278   41.786   33.175
LGA    G   291_B      G   291_B     3.989     0    0.042   0.042     3.989   43.333   43.333
LGA    K   292_B      K   292_B     3.434     0    0.022   0.665     4.344   48.333   47.302
LGA    Q   293_B      Q   293_B     2.717     0    0.042   0.660     5.651   57.262   43.492
LGA    V   294_B      V   294_B     1.794     0    0.017   0.040     2.020   70.833   72.925
LGA    I   295_B      I   295_B     1.720     0    0.054   1.096     3.992   77.143   72.440
LGA    T   296_B      T   296_B     1.219     0    0.034   0.099     1.346   81.429   84.014
LGA    V   297_B      V   297_B     1.759     0    0.048   0.843     3.711   72.857   69.864
LGA    A   298_B      A   298_B     1.927     0    0.050   0.049     2.600   66.905   68.095
LGA    P   299_B      P   299_B     2.874     0    0.025   0.180     3.973   53.810   56.327
LGA    D   300_B      D   300_B     4.233     0    0.079   0.147     6.170   45.119   35.893
LGA    G   301_B      G   301_B     3.730     0    0.066   0.066     4.145   41.786   41.786
LGA    G   302_B      G   302_B     3.861     0    0.059   0.059     4.093   41.786   41.786
LGA    D   303_B      D   303_B     3.708     0    0.153   0.604     4.876   38.810   41.131
LGA    R   304_B      R   304_B     4.754     6    0.038   0.062     5.294   31.548   14.329
LGA    Y   305_B      Y   305_B     5.007     0    0.081   0.218     5.309   27.500   30.119
LGA    L   306_B      L   306_B     4.883     0    0.039   0.149     5.440   28.810   30.833
LGA    S   307_B      S   307_B     6.382     0    0.137   0.624     7.642   14.762   13.730
LGA    T   308_B      T   308_B     6.815     0    0.013   0.134     6.815   15.238   14.966
LGA    E   309_B      E   309_B     7.188     3    0.121   0.695     8.629   11.667    6.296
LGA    L   310_B      L   310_B     5.645     0    0.053   0.108     6.278   22.738   27.143
LGA    F   311_B      F   311_B     5.143     0    0.358   0.372     5.480   27.500   34.805
LGA    N   312_B      N   312_B     7.394     0    0.475   1.373    11.092   10.833    5.595
LGA    Y   313_B      Y   313_B     7.067     0    0.628   0.463     8.863    8.214   18.770

# 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):     3.861          3.840                  4.106           59.084   55.852

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  313  281    4.0    236    2.29    65.214    63.072     9.863

LGA_LOCAL      RMSD:   2.293  Number of atoms:  236  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.951  Number of assigned atoms:  281 
Std_ASGN_ATOMS RMSD:   3.861  Standard rmsd on all 281 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.724522 * X  +   0.081138 * Y  +  -0.684459 * Z  +   8.435660
  Y_new =   0.668431 * X  +  -0.159520 * Y  +  -0.726466 * Z  +   8.993922
  Z_new =  -0.168129 * X  +  -0.983855 * Y  +   0.061341 * Z  +  23.859028 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.396441  0.168932 -1.508530   [DEG:  137.3059    9.6791  -86.4324 ]
ZXZ: -0.755634  1.509417 -2.972339   [DEG:  -43.2947   86.4832 -170.3025 ]
 
# END of job
