
#######################################################
#                                                     #
#                        LGA                          #
#                  ---------------                    #
#                                                     #
#               Local-Global Alignment                #
#        A Method for Finding 3-D Similarities        #
#               in Protein Structures                 #
#                                                     #
#                  ------------ 10/2009               #
#                                                     #
#      Adam Zemla (adamz@llnl.gov)                    #
#      Lawrence Livermore National Laboratory, CA     #
#                                                     #
#######################################################

!!!   License for LGA program has expired  !!!
#   For updated version of the LGA program   #
# please contact Adam Zemla:  adamz@llnl.gov #

# Molecule1: number of CA atoms  313 ( 2327),  selected  281 , name one
# Molecule2: number of CA atoms  281 ( 1997),  selected  281 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   281       6_B - 313_B       4.60     4.60
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   118      34_B - 151_B       1.99     5.04
  LONGEST_CONTINUOUS_SEGMENT:   118      35_B - 152_B       1.95     5.14
  LONGEST_CONTINUOUS_SEGMENT:   118      36_B - 153_B       1.97     5.28
  LCS_AVERAGE:     32.06

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    82      67_B - 148_B       1.00     6.47
  LCS_AVERAGE:     19.45

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    6  281      0    3    3    5    8   15   17   20   25   31   40   47   54   59   69  142  154  159  173  180 
LCS_GDT     H     7_B     H     7_B      3    6  281      3    3    5    7    7    7   10   12   21   24   25   28   32   48   69   82  122  133  150  180 
LCS_GDT     T     8_B     T     8_B      3    6  281      3    3    5    7   10   17   18   30   39   50   64   79   85  141  152  167  181  219  224  234 
LCS_GDT     K     9_B     K     9_B      3   13  281      3    4    8   13   16   41   64   85  101  139  199  210  223  234  251  257  264  269  272  273 
LCS_GDT     I    10_B     I    10_B      5   13  281      3    4    9   14   74  102  115  159  175  223  240  245  248  254  258  264  270  271  272  273 
LCS_GDT     T    11_B     T    11_B      9   13  281      3   24   60   98  123  159  196  223  237  242  244  249  253  259  266  269  271  271  272  273 
LCS_GDT     N    12_B     N    12_B      9   31  281      3    7   45   92  122  159  196  223  237  242  244  249  253  258  266  269  271  271  272  273 
LCS_GDT     S    13_B     S    13_B      9   33  281      7    7   83  106  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     I    14_B     I    14_B      9   56  281      7   57   83  106  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     V    15_B     V    15_B      9   56  281     15   58   83  106  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     N    16_B     N    16_B      9   56  281     31   61   83  106  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     L    17_B     L    17_B      9   56  281     22   61   83  115  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     I    18_B     I    18_B     29   56  281     10   78  113  126  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     G    19_B     G    19_B     29   56  281      7   56  118  127  132  161  201  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     N    20_B     N    20_B     29   56  281     28   99  118  127  132  161  201  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     T    21_B     T    21_B     29   56  281     53   99  118  127  136  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     P    22_B     P    22_B     29   56  281     70   99  118  127  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     I    23_B     I    23_B     29   56  281     65   99  118  127  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     V    24_B     V    24_B     29   56  281     70   99  118  127  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     K    25_B     K    25_B     29   56  281     70   99  118  127  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     L    26_B     L    26_B     29   56  281     70   99  118  127  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     N    27_B     N    27_B     29   56  281     70   99  118  127  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     R    28_B     R    28_B     29   56  281     70   99  118  127  137  172  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     V    29_B     V    29_B     29   56  281     70   99  118  127  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     V    30_B     V    30_B     29   56  281     70   99  118  127  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     P    31_B     P    31_B     29   56  281     23   99  118  127  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     E    32_B     E    32_B     29   56  281     38   99  118  127  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     D    33_B     D    33_B     29   56  281     70   99  118  127  132  169  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     A    34_B     A    34_B     29  118  281     70   99  118  127  136  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     A    35_B     A    35_B     29  118  281     70   99  118  127  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     D    36_B     D    36_B     29  118  281     42   99  118  127  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     V    37_B     V    37_B     29  118  281     38   99  118  127  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     Y    38_B     Y    38_B     29  118  281     70   99  118  127  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     V    39_B     V    39_B     29  118  281     70   99  118  127  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     K    40_B     K    40_B     29  118  281     70   99  118  127  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     L    41_B     L    41_B     29  118  281     70   99  118  127  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     E    42_B     E    42_B     29  118  281     65   99  118  127  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     F    43_B     F    43_B     29  118  281     25   99  118  127  136  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     F    44_B     F    44_B     29  118  281     23   82  118  127  132  152  191  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     N    45_B     N    45_B     29  118  281     56   92  118  127  132  150  191  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     P    46_B     P    46_B     29  118  281      4   18   94  125  132  137  158  195  233  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     G    47_B     G    47_B     29  118  281     15   54   79  104  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     G    48_B     G    48_B     29  118  281      4    8   23   56  111  151  200  221  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     S    49_B     S    49_B     30  118  281      4   18   43   76  118  172  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     I    50_B     I    50_B     30  118  281      3   18   42   76  117  172  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     K    51_B     K    51_B     30  118  281      7   17   50   80  115  172  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     D    52_B     D    52_B     30  118  281     14   62   83  105  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     R    53_B     R    53_B     30  118  281     21   53   82  106  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     I    54_B     I    54_B     30  118  281      7   22   55   99  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     A    55_B     A    55_B     30  118  281      7   35   76  102  133  172  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     L    56_B     L    56_B     30  118  281     31   62   83  106  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     A    57_B     A    57_B     30  118  281     12   53   82  106  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     M    58_B     M    58_B     30  118  281     12   52   83  106  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     I    59_B     I    59_B     30  118  281     32   62   83  106  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     E    60_B     E    60_B     30  118  281     21   62   83  106  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     E    61_B     E    61_B     30  118  281     20   56   83  106  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     A    62_B     A    62_B     30  118  281     32   62   83  106  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     E    63_B     E    63_B     30  118  281     22   62   83  106  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     K    64_B     K    64_B     30  118  281     22   62   83  106  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     A    65_B     A    65_B     30  118  281     32   62   83  106  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     G    66_B     G    66_B     30  118  281     22   62   83  106  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     K    67_B     K    67_B     82  118  281     20   62   83  106  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     L    68_B     L    68_B     82  118  281     22   62   83  106  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     Q    69_B     Q    69_B     82  118  281     22   62   83  106  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     A    70_B     A    70_B     82  118  281      3   53   83  106  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     G    71_B     G    71_B     82  118  281     35   62   83  106  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     G    72_B     G    72_B     82  118  281     39   62   83  106  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     T    73_B     T    73_B     82  118  281     40   62   83  106  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     I    74_B     I    74_B     82  118  281     40   62   83  106  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     V    75_B     V    75_B     82  118  281     40   62   83  106  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     E    76_B     E    76_B     82  118  281     39   62   83  106  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     P    77_B     P    77_B     82  118  281     40   62   83  106  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     T    78_B     T    78_B     82  118  281     32   62   83  106  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     S    79_B     S    79_B     82  118  281      4    8   46  106  136  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     G    80_B     G    80_B     82  118  281      5   47   91  118  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     N    81_B     N    81_B     82  118  281      6   65  108  123  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     T    82_B     T    82_B     82  118  281     15   43  104  123  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     G    83_B     G    83_B     82  118  281     16   52   83  115  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     V    84_B     V    84_B     82  118  281     16   60   87  118  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     G    85_B     G    85_B     82  118  281     16   60   87  120  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     L    86_B     L    86_B     82  118  281     16   60   83  106  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     A    87_B     A    87_B     82  118  281     39   61   83  106  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     M    88_B     M    88_B     82  118  281     40   61   83  113  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     V    89_B     V    89_B     82  118  281     21   61   83  105  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     A    90_B     A    90_B     82  118  281     21   61   83  105  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     A    91_B     A    91_B     82  118  281     40   62   83  106  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     A    92_B     A    92_B     82  118  281     21   61   83  105  133  172  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     K    93_B     K    93_B     82  118  281     21   61   83  105  133  172  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     G    94_B     G    94_B     82  118  281     40   61   83  105  133  172  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     Y    95_B     Y    95_B     82  118  281     40   62   83  106  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     H    96_B     H    96_B     82  118  281     39   62   83  106  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     L    97_B     L    97_B     82  118  281     40   62   83  106  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     V    98_B     V    98_B     82  118  281     40   62   83  106  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     I    99_B     I    99_B     82  118  281     40   62   83  106  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     T   100_B     T   100_B     82  118  281     40   62   83  106  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     M   101_B     M   101_B     82  118  281     40   62   83  106  136  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     P   102_B     P   102_B     82  118  281     37   61   83  106  136  161  201  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     E   103_B     E   103_B     82  118  281      7   60   83  105  132  156  190  218  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     T   104_B     T   104_B     82  118  281      7   58   83  104  128  155  183  215  236  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     M   105_B     M   105_B     82  118  281      4   44   83  105  133  161  193  222  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     S   106_B     S   106_B     82  118  281      4    4   13   82  132  160  197  222  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     V   107_B     V   107_B     82  118  281      4   40   78  106  136  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     E   108_B     E   108_B     82  118  281     30   57   83  105  136  161  201  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     R   109_B     R   109_B     82  118  281     15   54   83  106  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     R   110_B     R   110_B     82  118  281     36   62   83  106  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     K   111_B     K   111_B     82  118  281     40   62   83  106  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     L   112_B     L   112_B     82  118  281     40   62   83  106  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     M   113_B     M   113_B     82  118  281     40   62   83  106  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     Q   114_B     Q   114_B     82  118  281     40   62   83  106  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     G   115_B     G   115_B     82  118  281     40   62   83  106  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     Y   116_B     Y   116_B     82  118  281     40   62   83  106  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     G   117_B     G   117_B     82  118  281     40   62   83  106  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     A   118_B     A   118_B     82  118  281     40   62   83  106  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     E   119_B     E   119_B     82  118  281     40   62   83  106  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     L   120_B     L   120_B     82  118  281     40   62   83  106  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     I   121_B     I   121_B     82  118  281     40   62   83  106  136  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     L   122_B     L   122_B     82  118  281     40   62   83  106  136  171  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     T   123_B     T   123_B     82  118  281     40   62   83  106  136  165  200  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     P   124_B     P   124_B     82  118  281     40   61   83  105  133  158  192  218  237  242  244  249  253  259  266  269  271  271  272  273 
LCS_GDT     G   125_B     G   125_B     82  118  281     40   61   83  105  133  157  190  216  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     A   126_B     A   126_B     82  118  281     40   61   83  104  128  155  176  208  228  241  244  247  253  258  266  269  271  271  272  273 
LCS_GDT     D   127_B     D   127_B     82  118  281     40   62   83  106  136  161  197  222  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     G   128_B     G   128_B     82  118  281     40   62   83  106  136  161  201  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     M   129_B     M   129_B     82  118  281     40   62   83  106  136  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     K   130_B     K   130_B     82  118  281     40   62   83  106  136  169  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     G   131_B     G   131_B     82  118  281     40   62   83  106  136  165  200  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     A   132_B     A   132_B     82  118  281     40   62   83  106  136  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     I   133_B     I   133_B     82  118  281     40   62   83  106  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     A   134_B     A   134_B     82  118  281     40   62   83  106  136  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     K   135_B     K   135_B     82  118  281     40   62   83  106  136  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     A   136_B     A   136_B     82  118  281     40   62   83  106  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     E   137_B     E   137_B     82  118  281     39   62   83  106  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     E   138_B     E   138_B     82  118  281     39   62   83  106  136  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     L   139_B     L   139_B     82  118  281     38   61   83  106  136  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     V   140_B     V   140_B     82  118  281     12   61   83  106  136  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     K   141_B     K   141_B     82  118  281     22   62   83  106  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     E   142_B     E   142_B     82  118  281     22   62   83  106  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     K   143_B     K   143_B     82  118  281     23   62   83  106  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     G   144_B     G   144_B     82  118  281     38   62   83  106  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     Y   145_B     Y   145_B     82  118  281     39   62   83  106  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     F   146_B     F   146_B     82  118  281     39   62   83  106  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     M   147_B     M   147_B     82  118  281     40   62   83  106  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     P   148_B     P   148_B     82  118  281     31   62   83  106  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     M   149_B     M   149_B     79  118  281      3    7   54   97  133  172  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     Q   150_B     Q   150_B     70  118  281      5   45   77  103  136  172  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     F   151_B     F   151_B      6  118  281      3    7   44   95  133  172  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     D   152_B     D   152_B      6  118  281      3   23   37   64   98  146  194  221  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     N   153_B     N   153_B      6  118  281      3    6   32   50   81   98  132  151  186  203  243  249  253  260  266  269  271  271  272  273 
LCS_GDT     P   154_B     P   154_B      6  117  281      3   10   30   45   56   75  110  131  181  201  227  248  253  260  266  269  271  271  272  273 
LCS_GDT     A   155_B     A   155_B      6  106  281      3    6    6    6   10   12   28   60   75   86  104  126  164  185  208  238  261  270  272  272 
LCS_GDT     H   160_B     H   160_B      4   18  281      3    4    4    7   12   21   24   28   34   46   59   74  121  161  240  257  262  265  267  272 
LCS_GDT     E   161_B     E   161_B      5   18  281      3    4    8   16   21   36   84  128  172  203  222  247  253  260  266  269  271  271  272  273 
LCS_GDT     E   162_B     E   162_B     14   18  281      3    7   13   25   50   77  107  134  188  228  243  249  253  260  266  269  271  271  272  273 
LCS_GDT     T   163_B     T   163_B     14   18  281      8   11   13   21   34   56   83  114  160  191  212  238  252  260  266  269  271  271  272  273 
LCS_GDT     T   164_B     T   164_B     14   18  281      8   11   13   18   21   31   50   71  103  174  208  223  243  258  266  269  271  271  272  273 
LCS_GDT     G   165_B     G   165_B     14   18  281      8   11   13   21   39   60  104  151  194  215  243  249  253  260  266  269  271  271  272  273 
LCS_GDT     K   166_B     K   166_B     14   18  281      8   11   13   32   51   88  133  156  199  232  243  249  253  260  266  269  271  271  272  273 
LCS_GDT     E   167_B     E   167_B     14   46  281      8   11   16   39   51   70   92  132  147  159  202  232  252  260  266  269  271  271  272  273 
LCS_GDT     I   168_B     I   168_B     14   46  281      8   11   13   23   38   64   89  132  147  159  198  224  248  260  266  269  271  271  272  273 
LCS_GDT     L   169_B     L   169_B     14   46  281      8   14   40   82  125  137  140  146  163  206  240  249  253  260  266  269  271  271  272  273 
LCS_GDT     E   170_B     E   170_B     14   46  281      8   13   34   82  114  136  139  143  147  159  176  225  250  260  266  269  271  271  272  273 
LCS_GDT     A   171_B     A   171_B     14   46  281      5   11   15   33   61   96  118  137  146  151  157  172  185  212  245  265  271  271  272  273 
LCS_GDT     F   172_B     F   172_B     14   46  281      5   11   21   40   79  111  132  143  147  153  164  202  232  258  266  269  271  271  272  273 
LCS_GDT     G   173_B     G   173_B     14   46  281      5   11   15   32   61  104  124  140  146  151  159  172  198  222  259  265  271  271  272  273 
LCS_GDT     D   174_B     D   174_B     14   46  281      4    8   20   55   90  124  138  143  147  157  174  225  250  260  266  269  271  271  272  273 
LCS_GDT     D   175_B     D   175_B     14   46  281      4   11   13   27   61  104  134  143  147  153  170  207  248  258  266  269  271  271  272  273 
LCS_GDT     I   176_B     I   176_B     13   46  281      4    6   26   46   97  116  137  143  147  159  203  233  252  260  266  269  271  271  272  273 
LCS_GDT     P   177_B     P   177_B     36   46  281     12   72  118  127  132  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     D   178_B     D   178_B     36   46  281     70   99  118  127  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     A   179_B     A   179_B     36   46  281     70   99  118  127  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     F   180_B     F   180_B     36   46  281     70   99  118  127  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     V   181_B     V   181_B     36   46  281     70   99  118  127  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     A   182_B     A   182_B     36   46  281     70   99  118  127  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     G   183_B     G   183_B     36   46  281     23   87  118  127  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     V   184_B     V   184_B     36   46  281     23   87  118  127  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     G   185_B     G   185_B     36   46  281     13   64  110  125  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     T   186_B     T   186_B     36   46  281      7   28   64  108  130  137  167  209  236  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     G   187_B     G   187_B     36   46  281      7   53  107  127  132  166  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     G   188_B     G   188_B     36   46  281     12   61   78  104  131  142  193  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     T   189_B     T   189_B     36   46  281      7   27   69  105  131  163  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     L   190_B     L   190_B     36   46  281     17   87  118  127  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     T   191_B     T   191_B     36   46  281     31   70  118  127  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     G   192_B     G   192_B     36   46  281     14   67  114  127  136  172  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     V   193_B     V   193_B     36   46  281     25   96  118  127  136  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     G   194_B     G   194_B     36   46  281     15   96  118  127  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     H   195_B     H   195_B     36   46  281     15   95  118  127  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     A   196_B     A   196_B     36   46  281     47   99  118  127  136  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     L   197_B     L   197_B     36   46  281     48   99  118  127  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     K   198_B     K   198_B     36   46  281     32   99  118  127  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     K   199_B     K   199_B     36   46  281     22   89  118  127  136  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     A   200_B     A   200_B     36   46  281     23   87  118  127  136  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     N   201_B     N   201_B     36   89  281     24   92  118  127  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     P   202_B     P   202_B     36   89  281     33   99  118  127  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     N   203_B     N   203_B     36   89  281     50   99  118  127  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     V   204_B     V   204_B     36   89  281     70   99  118  127  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     Q   205_B     Q   205_B     36   89  281     48   99  118  127  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     I   206_B     I   206_B     36   89  281     70   99  118  127  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     Y   207_B     Y   207_B     36   89  281     70   99  118  127  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     A   208_B     A   208_B     36   89  281     38   99  118  127  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     L   209_B     L   209_B     36   89  281     70   99  118  127  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     E   210_B     E   210_B     36   89  281     70   99  118  127  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     P   211_B     P   211_B     36   89  281     41   92  117  127  136  172  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     A   212_B     A   212_B     36   89  281     20   91  117  127  132  172  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     P   236_B     P   236_B      3   89  281      0    3    3    7   10   26   33   53   81  133  150  151  155  165  178  187  220  255  265  269 
LCS_GDT     K   237_B     K   237_B      3   89  281      0    3    3   12   17   24   34   51   96  102  138  143  152  162  181  198  220  232  259  269 
LCS_GDT     V   238_B     V   238_B      5   89  281      3    5    7   13   32   43   60   81   96  107  138  143  151  162  181  198  220  228  265  269 
LCS_GDT     L   239_B     L   239_B      6   89  281      5    8   22   36   65  118  139  143  159  174  190  227  250  260  266  269  271  271  272  273 
LCS_GDT     D   240_B     D   240_B     73   89  281      6   13   74  104  129  137  145  165  215  239  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     T   241_B     T   241_B     73   89  281      6   58  113  127  132  172  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     D   242_B     D   242_B     73   89  281     50   99  118  127  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     V   243_B     V   243_B     73   89  281     28   99  118  127  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     Y   244_B     Y   244_B     73   89  281     33   99  118  127  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     N   245_B     N   245_B     73   89  281     55   99  118  127  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     G   246_B     G   246_B     73   89  281     70   99  118  127  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     I   247_B     I   247_B     73   89  281     56   99  118  127  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     L   248_B     L   248_B     73   89  281     56   99  118  127  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     E   249_B     E   249_B     73   89  281     70   99  118  127  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     I   250_B     I   250_B     73   89  281     70   99  118  127  136  172  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     K   251_B     K   251_B     73   89  281     70   99  118  127  132  168  203  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     S   252_B     S   252_B     73   89  281     70   99  118  127  132  168  203  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     D   253_B     D   253_B     73   89  281     70   99  118  127  132  156  196  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     D   254_B     D   254_B     73   89  281     70   99  118  127  136  168  203  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     A   255_B     A   255_B     73   89  281     70   99  118  127  136  172  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     I   256_B     I   256_B     73   89  281     70   99  118  127  132  156  196  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     T   257_B     T   257_B     73   89  281     70   99  118  127  132  156  196  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     M   258_B     M   258_B     73   89  281     70   99  118  127  136  172  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     A   259_B     A   259_B     73   89  281     70   99  118  127  136  172  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     R   260_B     R   260_B     73   89  281     70   99  118  127  132  168  203  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     E   261_B     E   261_B     73   89  281     70   99  118  127  136  172  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     V   262_B     V   262_B     73   89  281     70   99  118  127  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     G   263_B     G   263_B     73   89  281     70   99  118  127  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     H   264_B     H   264_B     73   89  281     70   99  118  127  136  172  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     Q   265_B     Q   265_B     73   89  281     70   99  118  127  138  172  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     E   266_B     E   266_B     73   89  281     70   99  118  127  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     G   267_B     G   267_B     73   89  281     70   99  118  127  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     I   268_B     I   268_B     73   89  281     70   99  118  127  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     L   269_B     L   269_B     73   89  281     70   99  118  127  136  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     V   270_B     V   270_B     73   89  281     10   94  118  127  132  169  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     G   271_B     G   271_B     73   89  281     50   99  118  127  132  146  194  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     I   272_B     I   272_B     73   89  281     70   99  118  127  132  160  203  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     S   273_B     S   273_B     73   89  281     70   99  118  127  136  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     A   274_B     A   274_B     73   89  281     70   99  118  127  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     G   275_B     G   275_B     73   89  281     70   99  118  127  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     A   276_B     A   276_B     73   89  281     70   99  118  127  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     N   277_B     N   277_B     73   89  281     70   99  118  127  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     I   278_B     I   278_B     73   89  281     70   99  118  127  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     K   279_B     K   279_B     73   89  281     70   99  118  127  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     G   280_B     G   280_B     73   89  281     70   99  118  127  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     A   281_B     A   281_B     73   89  281     70   99  118  127  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     I   282_B     I   282_B     73   89  281     70   99  118  127  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     E   283_B     E   283_B     73   89  281     70   99  118  127  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     V   284_B     V   284_B     73   89  281     70   99  118  127  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     A   285_B     A   285_B     73   89  281     70   99  118  127  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     K   286_B     K   286_B     73   89  281     70   99  118  127  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     K   287_B     K   287_B     73   89  281     70   99  118  127  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     L   288_B     L   288_B     73   89  281     70   99  118  127  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     G   289_B     G   289_B     73   89  281     70   99  118  127  133  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     K   290_B     K   290_B     73   89  281     65   99  118  127  132  172  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     G   291_B     G   291_B     73   89  281     40   99  118  127  132  169  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     K   292_B     K   292_B     73   89  281     61   99  118  127  132  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     Q   293_B     Q   293_B     73   89  281     70   99  118  127  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     V   294_B     V   294_B     73   89  281     70   99  118  127  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     I   295_B     I   295_B     73   89  281     70   99  118  127  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     T   296_B     T   296_B     73   89  281     70   99  118  127  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     V   297_B     V   297_B     73   89  281     61   99  118  127  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     A   298_B     A   298_B     73   89  281     56   99  118  127  138  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     P   299_B     P   299_B     73   89  281     70   99  118  127  133  174  204  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     D   300_B     D   300_B     73   89  281     15   82  118  127  132  139  180  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     G   301_B     G   301_B     73   89  281     11   86  118  127  132  139  190  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     G   302_B     G   302_B     73   89  281      6   94  118  127  132  137  185  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     D   303_B     D   303_B     73   89  281     49   99  118  127  132  145  190  223  237  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     R   304_B     R   304_B     73   89  281      7   99  118  127  132  137  180  214  233  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     Y   305_B     Y   305_B     73   89  281     28   99  118  127  132  137  153  199  230  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     L   306_B     L   306_B     73   89  281     49   99  118  127  132  137  180  214  231  242  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     S   307_B     S   307_B     73   89  281     14   92  118  127  132  137  150  157  196  227  242  246  253  260  266  269  271  271  272  273 
LCS_GDT     T   308_B     T   308_B     73   89  281      6   51  100  124  132  137  142  157  169  196  223  243  253  260  266  269  271  271  272  273 
LCS_GDT     E   309_B     E   309_B     73   89  281      5   13   81  118  132  137  141  157  169  182  212  241  250  259  266  269  271  271  272  273 
LCS_GDT     L   310_B     L   310_B     73   89  281      5   76  111  127  132  137  150  173  201  227  242  249  253  260  266  269  271  271  272  273 
LCS_GDT     F   311_B     F   311_B     73   89  281      4   91  115  127  132  137  150  184  215  236  244  249  253  260  266  269  271  271  272  273 
LCS_GDT     N   312_B     N   312_B     73   89  281      3   76  100  124  132  137  150  157  178  198  231  243  253  260  266  269  271  271  272  273 
LCS_GDT     Y   313_B     Y   313_B     72   77  281      3    3    3   29   89  108  139  150  163  186  212  227  248  258  266  269  271  271  272  273 
LCS_AVERAGE  LCS_A:  50.50  (  19.45   32.06  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     70     99    118    127    138    174    204    223    237    242    244    249    253    260    266    269    271    271    272    273 
GDT PERCENT_AT  24.91  35.23  41.99  45.20  49.11  61.92  72.60  79.36  84.34  86.12  86.83  88.61  90.04  92.53  94.66  95.73  96.44  96.44  96.80  97.15
GDT RMS_LOCAL    3.79   0.53   0.75   0.86   1.72   2.01   2.23   2.44   2.59   2.67   2.71   2.85   2.98   3.32   3.42   3.53   3.62   3.60   3.65   3.71
GDT RMS_ALL_AT   6.77   6.63   6.59   6.64   4.69   4.68   4.67   4.65   4.65   4.64   4.64   4.63   4.62   4.62   4.62   4.62   4.62   4.61   4.62   4.61

# Checking swapping
#   possible swapping detected:  D    33_B      D    33_B
#   possible swapping detected:  E    42_B      E    42_B
#   possible swapping detected:  F    44_B      F    44_B
#   possible swapping detected:  E    76_B      E    76_B
#   possible swapping detected:  Y    95_B      Y    95_B
#   possible swapping detected:  E   108_B      E   108_B
#   possible swapping detected:  E   161_B      E   161_B
#   possible swapping detected:  E   170_B      E   170_B
#   possible swapping detected:  D   174_B      D   174_B
#   possible swapping detected:  Y   207_B      Y   207_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:  D   254_B      D   254_B
#   possible swapping detected:  E   261_B      E   261_B
#   possible swapping detected:  E   266_B      E   266_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    22.155     0    0.616   0.674    25.724    0.000    0.000
LGA    H     7_B      H     7_B    22.027     0    0.595   1.085    23.498    0.000    0.000
LGA    T     8_B      T     8_B    18.058     0    0.182   0.234    21.373    0.000    0.000
LGA    K     9_B      K     9_B    11.034     4    0.168   0.289    13.638    0.000    0.053
LGA    I    10_B      I    10_B     8.296     0    0.068   0.591    12.572    6.310    4.405
LGA    T    11_B      T    11_B     4.242     0    0.126   0.991     5.520   31.786   41.905
LGA    N    12_B      N    12_B     4.333     0    0.137   1.005     8.958   45.357   28.155
LGA    S    13_B      S    13_B     2.444     0    0.228   0.567     3.221   61.071   59.841
LGA    I    14_B      I    14_B     1.592     0    0.083   0.664     3.237   77.143   73.214
LGA    V    15_B      V    15_B     1.023     0    0.030   0.332     1.461   81.429   82.721
LGA    N    16_B      N    16_B     2.211     0    0.110   0.787     3.440   64.881   61.071
LGA    L    17_B      L    17_B     2.420     0    0.030   0.176     3.221   62.857   60.060
LGA    I    18_B      I    18_B     2.329     0    0.056   0.076     3.021   61.190   65.119
LGA    G    19_B      G    19_B     4.006     0    0.692   0.692     4.598   40.476   40.476
LGA    N    20_B      N    20_B     4.005     0    0.100   0.191     4.726   41.905   40.357
LGA    T    21_B      T    21_B     3.481     0    0.025   0.162     4.181   48.333   45.306
LGA    P    22_B      P    22_B     2.319     0    0.022   0.142     2.850   62.857   62.585
LGA    I    23_B      I    23_B     1.773     0    0.084   0.573     2.850   75.119   68.988
LGA    V    24_B      V    24_B     1.151     0    0.113   1.137     3.514   81.429   73.605
LGA    K    25_B      K    25_B     1.178     0    0.018   0.689     2.106   81.429   77.672
LGA    L    26_B      L    26_B     1.029     0    0.046   0.089     1.267   83.690   82.560
LGA    N    27_B      N    27_B     2.190     0    0.251   0.296     3.427   61.190   62.024
LGA    R    28_B      R    28_B     2.631     0    0.042   1.154     3.563   57.262   54.719
LGA    V    29_B      V    29_B     2.408     0    0.103   0.102     2.561   64.762   66.054
LGA    V    30_B      V    30_B     2.302     0    0.089   0.630     3.112   59.167   60.612
LGA    P    31_B      P    31_B     2.617     0    0.082   0.094     3.008   59.048   58.299
LGA    E    32_B      E    32_B     2.641     4    0.033   0.057     3.083   53.571   30.159
LGA    D    33_B      D    33_B     3.517     0    0.186   0.815     5.226   43.452   40.476
LGA    A    34_B      A    34_B     2.849     0    0.095   0.116     2.911   57.143   57.143
LGA    A    35_B      A    35_B     2.394     0    0.096   0.104     2.577   66.905   66.476
LGA    D    36_B      D    36_B     1.672     0    0.072   0.769     2.756   75.000   70.952
LGA    V    37_B      V    37_B     0.870     0    0.026   0.099     1.059   88.214   90.544
LGA    Y    38_B      Y    38_B     1.106     0    0.029   0.520     3.106   83.690   74.127
LGA    V    39_B      V    39_B     1.144     0    0.046   0.127     1.594   79.286   82.789
LGA    K    40_B      K    40_B     1.852     0    0.038   0.181     4.179   75.000   62.169
LGA    L    41_B      L    41_B     2.078     0    0.138   0.117     3.244   61.190   70.238
LGA    E    42_B      E    42_B     2.556     0    0.129   1.035     5.291   59.048   50.317
LGA    F    43_B      F    43_B     3.377     0    0.068   0.148     5.483   45.119   38.658
LGA    F    44_B      F    44_B     4.456     0    0.116   0.689     5.830   33.333   34.892
LGA    N    45_B      N    45_B     4.380     0    0.108   1.100     5.304   41.905   37.440
LGA    P    46_B      P    46_B     5.659     0    0.034   0.220     7.646   26.548   20.068
LGA    G    47_B      G    47_B     1.970     0    0.255   0.255     5.356   53.452   53.452
LGA    G    48_B      G    48_B     3.899     0    0.058   0.058     5.323   40.952   40.952
LGA    S    49_B      S    49_B     3.208     0    0.066   0.069     3.224   50.000   50.000
LGA    I    50_B      I    50_B     3.252     0    0.131   1.189     5.366   51.786   49.702
LGA    K    51_B      K    51_B     3.334     2    0.143   0.677     3.931   53.571   40.529
LGA    D    52_B      D    52_B     2.468     0    0.058   0.236     4.169   66.905   56.071
LGA    R    53_B      R    53_B     0.663     0    0.068   0.896     6.861   83.690   54.935
LGA    I    54_B      I    54_B     2.391     0    0.081   1.307     6.078   64.881   52.143
LGA    A    55_B      A    55_B     2.648     0    0.043   0.066     3.125   62.857   60.286
LGA    L    56_B      L    56_B     1.384     0    0.038   1.169     2.913   79.286   77.500
LGA    A    57_B      A    57_B     1.461     0    0.082   0.098     1.571   79.286   78.000
LGA    M    58_B      M    58_B     1.815     0    0.052   0.253     3.347   72.857   64.167
LGA    I    59_B      I    59_B     1.347     0    0.028   0.565     1.702   79.286   80.417
LGA    E    60_B      E    60_B     1.250     0    0.035   0.329     1.399   81.429   82.434
LGA    E    61_B      E    61_B     1.351     0    0.051   1.042     3.063   81.429   72.328
LGA    A    62_B      A    62_B     1.117     0    0.040   0.055     1.231   81.429   81.429
LGA    E    63_B      E    63_B     1.196     0    0.083   0.274     1.445   81.429   81.429
LGA    K    64_B      K    64_B     1.274     4    0.038   0.053     1.468   81.429   45.238
LGA    A    65_B      A    65_B     1.335     0    0.269   0.262     2.063   81.429   78.095
LGA    G    66_B      G    66_B     1.216     0    0.129   0.129     1.464   81.429   81.429
LGA    K    67_B      K    67_B     1.272     4    0.122   0.137     1.703   79.286   43.333
LGA    L    68_B      L    68_B     0.949     0    0.093   0.234     1.429   85.952   87.083
LGA    Q    69_B      Q    69_B     1.774     4    0.081   0.165     2.161   72.857   39.577
LGA    A    70_B      A    70_B     2.394     0    0.058   0.067     2.827   66.786   64.857
LGA    G    71_B      G    71_B     2.364     0    0.766   0.766     2.426   66.786   66.786
LGA    G    72_B      G    72_B     2.287     0    0.143   0.143     3.042   63.095   63.095
LGA    T    73_B      T    73_B     1.880     0    0.045   0.099     2.339   70.833   69.388
LGA    I    74_B      I    74_B     1.228     0    0.029   0.183     1.637   79.286   82.619
LGA    V    75_B      V    75_B     1.324     0    0.024   0.987     3.760   81.429   76.054
LGA    E    76_B      E    76_B     1.121     0    0.088   0.259     1.349   81.429   85.503
LGA    P    77_B      P    77_B     1.727     0    0.141   0.173     2.076   72.857   72.925
LGA    T    78_B      T    78_B     1.740     0    0.112   0.308     2.414   68.810   68.231
LGA    S    79_B      S    79_B     2.962     0    0.629   0.570     4.885   62.976   52.460
LGA    G    80_B      G    80_B     1.629     0    0.362   0.362     1.797   72.857   72.857
LGA    N    81_B      N    81_B     2.036     3    0.149   0.158     2.817   66.786   40.536
LGA    T    82_B      T    82_B     2.275     0    0.085   0.187     3.003   66.786   61.633
LGA    G    83_B      G    83_B     1.189     0    0.057   0.057     1.447   81.429   81.429
LGA    V    84_B      V    84_B     1.456     0    0.060   0.856     3.296   79.286   71.020
LGA    G    85_B      G    85_B     2.064     0    0.044   0.044     2.082   68.810   68.810
LGA    L    86_B      L    86_B     1.777     0    0.038   1.397     2.635   72.857   73.274
LGA    A    87_B      A    87_B     1.117     0    0.053   0.064     1.333   81.429   83.238
LGA    M    88_B      M    88_B     1.762     0    0.078   1.068     2.360   70.952   69.940
LGA    V    89_B      V    89_B     2.618     0    0.052   0.139     3.302   59.048   57.211
LGA    A    90_B      A    90_B     2.180     0    0.081   0.084     2.683   62.857   64.857
LGA    A    91_B      A    91_B     1.784     0    0.041   0.044     2.554   66.905   69.810
LGA    A    92_B      A    92_B     3.073     0    0.039   0.048     3.642   52.024   51.619
LGA    K    93_B      K    93_B     3.167     0    0.076   0.801     3.519   50.119   54.127
LGA    G    94_B      G    94_B     2.936     0    0.175   0.175     2.936   60.952   60.952
LGA    Y    95_B      Y    95_B     1.848     0    0.073   0.086     2.182   70.833   72.183
LGA    H    96_B      H    96_B     1.677     0    0.055   0.252     2.219   75.000   72.095
LGA    L    97_B      L    97_B     1.063     0    0.033   0.177     1.307   81.429   83.690
LGA    V    98_B      V    98_B     1.435     0    0.049   0.104     1.945   81.429   77.755
LGA    I    99_B      I    99_B     1.295     0    0.060   0.669     2.268   77.143   78.333
LGA    T   100_B      T   100_B     2.376     0    0.032   0.955     4.768   64.762   61.293
LGA    M   101_B      M   101_B     3.001     0    0.039   1.008     4.629   51.786   49.702
LGA    P   102_B      P   102_B     3.969     0    0.047   0.073     4.096   41.786   40.680
LGA    E   103_B      E   103_B     4.704     0    0.065   0.631     5.229   30.119   32.275
LGA    T   104_B      T   104_B     5.050     0    0.121   0.129     6.095   30.119   25.782
LGA    M   105_B      M   105_B     4.451     0    0.094   1.106     4.929   34.286   41.905
LGA    S   106_B      S   106_B     4.224     0    0.451   0.679     6.536   41.905   33.016
LGA    V   107_B      V   107_B     3.297     0    0.636   0.602     4.612   46.667   41.769
LGA    E   108_B      E   108_B     3.938     0    0.048   1.239     6.864   48.452   32.698
LGA    R   109_B      R   109_B     1.836     4    0.078   0.658     2.476   77.381   50.346
LGA    R   110_B      R   110_B     1.640     0    0.093   1.057     3.267   72.857   62.987
LGA    K   111_B      K   111_B     1.959     0    0.047   0.814     2.625   77.143   70.370
LGA    L   112_B      L   112_B     1.156     0    0.086   0.104     1.641   85.952   80.476
LGA    M   113_B      M   113_B     0.730     0    0.031   0.414     1.556   90.476   89.464
LGA    Q   114_B      Q   114_B     1.021     0    0.019   0.749     2.839   88.214   77.989
LGA    G   115_B      G   115_B     0.638     0    0.071   0.071     0.810   92.857   92.857
LGA    Y   116_B      Y   116_B     0.367     0    0.160   0.225     1.188   92.976   92.937
LGA    G   117_B      G   117_B     0.847     0    0.083   0.083     1.394   85.952   85.952
LGA    A   118_B      A   118_B     0.810     0    0.039   0.046     1.227   85.952   86.857
LGA    E   119_B      E   119_B     1.740     0    0.072   0.680     2.027   75.000   72.963
LGA    L   120_B      L   120_B     1.987     0    0.034   1.310     3.685   65.000   61.250
LGA    I   121_B      I   121_B     2.871     1    0.066   1.076     4.708   57.143   46.786
LGA    L   122_B      L   122_B     3.382     0    0.061   0.096     3.882   46.667   46.667
LGA    T   123_B      T   123_B     3.909     0    0.066   0.077     4.119   41.786   40.680
LGA    P   124_B      P   124_B     4.627     0    0.068   0.132     4.963   31.429   31.429
LGA    G   125_B      G   125_B     4.817     0    0.068   0.068     5.030   30.119   30.119
LGA    A   126_B      A   126_B     5.690     0    0.067   0.078     6.006   23.810   22.476
LGA    D   127_B      D   127_B     4.238     0    0.067   0.487     5.093   38.810   37.381
LGA    G   128_B      G   128_B     3.917     0    0.079   0.079     4.012   41.786   41.786
LGA    M   129_B      M   129_B     3.322     0    0.033   0.662     3.816   50.119   51.012
LGA    K   130_B      K   130_B     3.560     4    0.072   0.148     3.571   45.000   25.556
LGA    G   131_B      G   131_B     3.832     0    0.044   0.044     3.832   43.333   43.333
LGA    A   132_B      A   132_B     2.878     0    0.048   0.067     3.323   57.262   57.238
LGA    I   133_B      I   133_B     2.295     0    0.091   0.150     2.539   62.857   64.821
LGA    A   134_B      A   134_B     2.995     0    0.044   0.062     3.215   55.357   54.286
LGA    K   135_B      K   135_B     3.135     0    0.044   0.516     4.496   53.571   50.212
LGA    A   136_B      A   136_B     2.307     0    0.061   0.078     2.595   62.857   64.857
LGA    E   137_B      E   137_B     2.183     2    0.069   0.151     2.651   60.952   50.476
LGA    E   138_B      E   138_B     2.922     0    0.030   1.080     6.664   57.143   41.481
LGA    L   139_B      L   139_B     2.931     0    0.036   0.274     3.633   57.143   54.524
LGA    V   140_B      V   140_B     2.763     0    0.151   1.130     4.701   57.143   58.231
LGA    K   141_B      K   141_B     2.520     4    0.044   0.097     2.664   60.952   33.439
LGA    E   142_B      E   142_B     2.213     4    0.140   0.187     2.475   66.786   36.878
LGA    K   143_B      K   143_B     2.123     4    0.054   0.071     2.315   64.762   36.878
LGA    G   144_B      G   144_B     2.187     0    0.058   0.058     2.212   64.762   64.762
LGA    Y   145_B      Y   145_B     1.853     0    0.026   0.511     3.773   72.976   61.508
LGA    F   146_B      F   146_B     1.298     0    0.058   0.078     1.446   81.429   81.429
LGA    M   147_B      M   147_B     1.090     0    0.040   0.147     1.214   81.429   82.560
LGA    P   148_B      P   148_B     1.203     0    0.639   0.734     2.290   77.262   79.048
LGA    M   149_B      M   149_B     3.178     3    0.313   0.353     3.634   61.548   36.190
LGA    Q   150_B      Q   150_B     3.030     4    0.662   0.613     4.928   50.119   25.767
LGA    F   151_B      F   151_B     2.994     0    0.037   1.220    12.188   66.905   27.922
LGA    D   152_B      D   152_B     4.255     3    0.096   0.128     6.215   35.476   19.881
LGA    N   153_B      N   153_B     7.153     3    0.057   0.056     8.298   15.833    8.512
LGA    P   154_B      P   154_B     8.047     0    0.238   0.390     9.238    3.452    3.197
LGA    A   155_B      A   155_B    12.466     0    0.560   0.567    14.341    0.000    0.000
LGA    H   160_B      H   160_B    11.999     5    0.626   0.612    12.841    0.000    0.000
LGA    E   161_B      E   161_B     7.888     0    0.124   1.281     9.666    7.143    6.561
LGA    E   162_B      E   162_B     6.924     0    0.047   0.915     8.977   11.667    8.254
LGA    T   163_B      T   163_B     8.585     0    0.094   1.130    10.344    3.333    2.993
LGA    T   164_B      T   164_B     9.293     0    0.062   0.131    10.338    2.143    1.293
LGA    G   165_B      G   165_B     7.074     0    0.058   0.058     7.715   10.952   10.952
LGA    K   166_B      K   166_B     6.836     4    0.053   0.085     7.625   10.238    6.032
LGA    E   167_B      E   167_B     9.177     0    0.036   0.876     9.964    2.024    1.640
LGA    I   168_B      I   168_B     9.122     0    0.044   0.148     9.560    1.786    1.548
LGA    L   169_B      L   169_B     7.452     0    0.038   1.272     8.452    6.667   15.476
LGA    E   170_B      E   170_B     9.250     0    0.016   0.665    10.542    1.548    2.169
LGA    A   171_B      A   171_B    10.916     0    0.120   0.118    11.652    0.000    0.000
LGA    F   172_B      F   172_B     9.464     0    0.167   0.368     9.706    0.714    3.203
LGA    G   173_B      G   173_B    10.194     0    0.128   0.128    10.194    0.357    0.357
LGA    D   174_B      D   174_B     8.541     0    0.089   0.883     8.974    2.857    3.631
LGA    D   175_B      D   175_B     8.942     0    0.453   0.925    10.229    1.786    2.143
LGA    I   176_B      I   176_B     8.670     0    0.073   1.386    15.114   11.071    5.536
LGA    P   177_B      P   177_B     3.325     0    0.175   0.214     6.474   42.381   35.918
LGA    D   178_B      D   178_B     2.203     0    0.044   0.160     3.635   68.810   60.417
LGA    A   179_B      A   179_B     1.533     0    0.026   0.053     1.724   77.143   78.000
LGA    F   180_B      F   180_B     1.381     0    0.048   0.081     2.216   81.429   73.766
LGA    V   181_B      V   181_B     1.039     0    0.039   0.091     1.333   81.429   86.667
LGA    A   182_B      A   182_B     1.632     0    0.040   0.068     1.927   75.000   74.571
LGA    G   183_B      G   183_B     1.632     0    0.060   0.060     1.674   75.000   75.000
LGA    V   184_B      V   184_B     1.988     0    0.092   1.109     4.324   68.810   62.041
LGA    G   185_B      G   185_B     2.518     0    0.183   0.183     3.841   53.810   53.810
LGA    T   186_B      T   186_B     5.010     0    0.039   0.065     6.339   29.048   25.170
LGA    G   187_B      G   187_B     3.499     0    0.043   0.043     3.936   46.667   46.667
LGA    G   188_B      G   188_B     4.600     0    0.099   0.099     4.600   35.714   35.714
LGA    T   189_B      T   189_B     3.924     0    0.041   0.131     4.820   46.667   41.769
LGA    L   190_B      L   190_B     2.458     0    0.031   0.167     2.839   62.857   61.905
LGA    T   191_B      T   191_B     2.581     0    0.021   0.909     4.640   57.143   50.612
LGA    G   192_B      G   192_B     3.215     0    0.030   0.030     3.215   50.000   50.000
LGA    V   193_B      V   193_B     3.019     0    0.041   0.152     3.113   53.571   52.041
LGA    G   194_B      G   194_B     2.162     0    0.078   0.078     2.401   66.786   66.786
LGA    H   195_B      H   195_B     2.175     0    0.034   0.337     2.505   64.762   65.619
LGA    A   196_B      A   196_B     3.130     0    0.017   0.052     3.581   51.786   50.095
LGA    L   197_B      L   197_B     2.651     0    0.024   0.102     2.996   57.143   59.048
LGA    K   198_B      K   198_B     2.405     0    0.055   0.602     2.606   60.952   73.545
LGA    K   199_B      K   199_B     3.009     2    0.046   0.358     3.218   51.786   41.270
LGA    A   200_B      A   200_B     2.915     0    0.025   0.056     3.042   57.143   55.714
LGA    N   201_B      N   201_B     2.559     0    0.026   0.619     4.385   59.048   56.548
LGA    P   202_B      P   202_B     2.544     0    0.078   0.118     2.811   57.143   58.231
LGA    N   203_B      N   203_B     2.469     0    0.143   1.121     3.763   62.857   59.286
LGA    V   204_B      V   204_B     2.303     0    0.033   0.165     2.678   68.810   64.898
LGA    Q   205_B      Q   205_B     1.394     0    0.085   0.873     2.012   79.286   78.677
LGA    I   206_B      I   206_B     1.352     0    0.023   1.468     3.902   83.690   72.798
LGA    Y   207_B      Y   207_B     1.110     0    0.032   0.126     1.396   81.429   82.937
LGA    A   208_B      A   208_B     1.395     0    0.089   0.117     1.718   81.429   79.714
LGA    L   209_B      L   209_B     1.439     0    0.025   1.319     3.704   77.143   71.369
LGA    E   210_B      E   210_B     2.417     0    0.065   0.310     2.615   64.881   68.413
LGA    P   211_B      P   211_B     3.138     0    0.051   0.390     3.441   51.786   53.061
LGA    A   212_B      A   212_B     3.233     0    0.553   0.505     3.547   48.333   48.667
LGA    P   236_B      P   236_B    14.166     0    0.483   0.801    15.395    0.000    0.000
LGA    K   237_B      K   237_B    14.719     0    0.528   0.788    19.010    0.000    0.000
LGA    V   238_B      V   238_B    14.309     0    0.625   0.722    17.792    0.000    0.000
LGA    L   239_B      L   239_B     8.590     0    0.054   1.436    10.642    2.619    7.976
LGA    D   240_B      D   240_B     6.854     0    0.038   0.694     7.682   20.238   14.762
LGA    T   241_B      T   241_B     3.381     0    0.190   1.150     6.623   54.762   46.667
LGA    D   242_B      D   242_B     2.466     0    0.069   0.409     4.917   64.881   54.286
LGA    V   243_B      V   243_B     1.773     0    0.164   1.369     3.073   72.976   69.660
LGA    Y   244_B      Y   244_B     0.770     0    0.132   0.673     1.889   88.214   83.056
LGA    N   245_B      N   245_B     0.778     0    0.111   0.108     1.127   88.214   89.345
LGA    G   246_B      G   246_B     0.925     0    0.046   0.046     0.925   90.476   90.476
LGA    I   247_B      I   247_B     0.925     0    0.049   0.094     1.541   90.476   84.881
LGA    L   248_B      L   248_B     0.888     0    0.032   0.807     2.311   85.952   83.988
LGA    E   249_B      E   249_B     2.117     0    0.035   0.207     2.467   66.786   69.312
LGA    I   250_B      I   250_B     2.677     0    0.089   0.559     3.127   53.571   59.226
LGA    K   251_B      K   251_B     3.684     2    0.086   0.191     4.812   45.000   31.111
LGA    S   252_B      S   252_B     3.725     0    0.046   0.584     4.559   43.333   41.349
LGA    D   253_B      D   253_B     4.007     0    0.020   0.163     4.007   40.238   42.619
LGA    D   254_B      D   254_B     3.380     0    0.040   0.701     5.022   48.333   45.357
LGA    A   255_B      A   255_B     2.997     0    0.064   0.100     3.195   51.786   51.429
LGA    I   256_B      I   256_B     3.880     0    0.029   0.147     4.405   43.333   40.238
LGA    T   257_B      T   257_B     3.927     0    0.057   0.929     5.317   43.333   41.973
LGA    M   258_B      M   258_B     2.945     0    0.055   0.735     4.409   55.357   52.857
LGA    A   259_B      A   259_B     2.977     0    0.064   0.068     3.132   51.786   51.429
LGA    R   260_B      R   260_B     3.587     0    0.022   0.628     6.155   48.333   32.814
LGA    E   261_B      E   261_B     3.195     0    0.051   1.004     5.177   53.571   46.032
LGA    V   262_B      V   262_B     2.288     0    0.035   1.217     4.631   62.857   57.823
LGA    G   263_B      G   263_B     2.549     0    0.076   0.076     2.564   60.952   60.952
LGA    H   264_B      H   264_B     2.991     0    0.025   0.701     4.025   57.143   50.905
LGA    Q   265_B      Q   265_B     2.561     0    0.078   0.875     3.446   60.952   56.455
LGA    E   266_B      E   266_B     1.777     0    0.058   0.311     1.966   75.000   74.762
LGA    G   267_B      G   267_B     1.791     0    0.100   0.100     1.885   72.857   72.857
LGA    I   268_B      I   268_B     1.673     0    0.026   0.198     2.099   70.833   72.917
LGA    L   269_B      L   269_B     2.698     0    0.106   0.172     3.797   57.262   52.024
LGA    V   270_B      V   270_B     3.250     0    0.056   0.128     3.689   46.667   48.095
LGA    G   271_B      G   271_B     3.934     0    0.049   0.049     3.934   45.000   45.000
LGA    I   272_B      I   272_B     3.677     0    0.035   0.196     5.273   48.452   41.488
LGA    S   273_B      S   273_B     2.833     0    0.120   0.521     3.228   59.167   56.111
LGA    A   274_B      A   274_B     1.923     0    0.063   0.059     2.161   72.976   72.952
LGA    G   275_B      G   275_B     2.279     0    0.038   0.038     2.300   64.762   64.762
LGA    A   276_B      A   276_B     2.320     0    0.037   0.061     2.625   68.810   66.476
LGA    N   277_B      N   277_B     1.578     0    0.029   0.179     2.100   77.143   75.060
LGA    I   278_B      I   278_B     1.465     0    0.069   0.608     3.142   75.000   73.274
LGA    K   279_B      K   279_B     1.924     0    0.055   0.868     6.608   72.857   54.762
LGA    G   280_B      G   280_B     1.220     0    0.048   0.048     1.458   81.429   81.429
LGA    A   281_B      A   281_B     1.019     0    0.032   0.045     1.541   81.548   83.333
LGA    I   282_B      I   282_B     1.856     0    0.047   1.697     5.669   70.833   55.536
LGA    E   283_B      E   283_B     1.840     0    0.056   1.096     3.166   70.833   69.418
LGA    V   284_B      V   284_B     1.562     0    0.070   1.172     3.248   72.857   69.660
LGA    A   285_B      A   285_B     1.956     0    0.048   0.068     2.372   68.810   68.000
LGA    K   286_B      K   286_B     2.432     0    0.050   0.728     4.031   64.762   59.153
LGA    K   287_B      K   287_B     2.471     2    0.061   0.155     2.756   60.952   52.328
LGA    L   288_B      L   288_B     2.579     0    0.077   0.397     3.589   57.262   57.381
LGA    G   289_B      G   289_B     3.009     0    0.052   0.052     3.094   51.786   51.786
LGA    K   290_B      K   290_B     3.172     2    0.039   1.239     5.932   50.000   35.714
LGA    G   291_B      G   291_B     3.319     0    0.153   0.153     3.319   50.000   50.000
LGA    K   292_B      K   292_B     3.045     0    0.042   0.561     5.218   53.571   46.032
LGA    Q   293_B      Q   293_B     2.182     0    0.066   1.273     7.375   66.786   46.772
LGA    V   294_B      V   294_B     1.268     0    0.068   0.094     1.439   81.429   85.306
LGA    I   295_B      I   295_B     1.333     0    0.034   1.339     4.085   83.690   73.869
LGA    T   296_B      T   296_B     1.027     0    0.195   1.058     3.103   83.690   77.143
LGA    V   297_B      V   297_B     2.209     0    0.053   1.104     4.437   66.786   65.646
LGA    A   298_B      A   298_B     2.416     0    0.091   0.101     3.111   59.167   60.286
LGA    P   299_B      P   299_B     3.004     0    0.050   0.292     4.181   46.905   50.272
LGA    D   300_B      D   300_B     4.620     0    0.107   0.125     6.436   38.810   32.143
LGA    G   301_B      G   301_B     4.357     0    0.057   0.057     4.983   34.286   34.286
LGA    G   302_B      G   302_B     4.601     0    0.084   0.084     4.894   32.857   32.857
LGA    D   303_B      D   303_B     4.458     0    0.134   0.771     5.300   31.548   37.202
LGA    R   304_B      R   304_B     5.344     6    0.055   0.077     5.720   23.810   11.039
LGA    Y   305_B      Y   305_B     5.605     0    0.158   0.325     6.150   20.357   25.119
LGA    L   306_B      L   306_B     5.381     0    0.051   0.218     6.054   20.476   26.012
LGA    S   307_B      S   307_B     7.150     0    0.039   0.667     7.850    9.405    9.127
LGA    T   308_B      T   308_B     7.884     0    0.046   1.135     9.362    7.857    8.163
LGA    E   309_B      E   309_B     8.249     3    0.142   0.682     9.844    5.952    3.016
LGA    L   310_B      L   310_B     6.330     0    0.044   0.162     7.106   15.357   22.857
LGA    F   311_B      F   311_B     6.037     0    0.054   0.165     7.238   14.405   27.532
LGA    N   312_B      N   312_B     7.877     0    0.136   0.673    13.385   12.143    6.131
LGA    Y   313_B      Y   313_B     8.713     0    0.670   1.469    11.465    1.548    3.849

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      281    1124   1124  100.00    1997   1997  100.00               281
SUMMARY(RMSD_GDC):     4.595          4.538                  4.991           55.039   51.592

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  313  281    4.0    223    2.44    63.879    58.325     8.787

LGA_LOCAL      RMSD:   2.438  Number of atoms:  223  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   4.645  Number of assigned atoms:  281 
Std_ASGN_ATOMS RMSD:   4.595  Standard rmsd on all 281 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.102612 * X  +  -0.901801 * Y  +  -0.419792 * Z  +  69.432663
  Y_new =   0.843820 * X  +   0.302382 * Y  +  -0.443320 * Z  +  21.637463
  Z_new =   0.526724 * X  +  -0.308738 * Y  +   0.791986 * Z  +  29.593447 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.449786 -0.554742 -0.371707   [DEG:   83.0666  -31.7844  -21.2972 ]
ZXZ: -0.758145  0.656741  2.100968   [DEG:  -43.4385   37.6285  120.3766 ]
 
# END of job
