
#######################################################
#                                                     #
#                        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       4.09     4.09
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   119      33_B - 151_B       1.96     4.39
  LONGEST_CONTINUOUS_SEGMENT:   119      34_B - 152_B       1.92     4.44
  LONGEST_CONTINUOUS_SEGMENT:   119      35_B - 153_B       1.96     4.52
  LCS_AVERAGE:     29.65

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    78      71_B - 148_B       0.99     5.54
  LCS_AVERAGE:     18.19

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    7  281      3    3    3    3    6    7    7   97  102  109  119  141  161  186  205  237  251  261  270  270 
LCS_GDT     H     7_B     H     7_B      5   13  281      3    4    9   16   26   28   34  109  114  117  129  164  195  216  235  250  261  267  270  273 
LCS_GDT     T     8_B     T     8_B      7   14  281      3   12   32   49   68   84  122  130  150  171  202  221  240  254  259  264  268  269  271  273 
LCS_GDT     K     9_B     K     9_B     11   14  281      4   38   81  102  118  133  153  190  222  238  251  253  256  261  262  268  270  273  273  275 
LCS_GDT     I    10_B     I    10_B     11   14  281      4   28   76  100  122  147  164  198  230  246  251  253  258  261  264  268  270  273  273  275 
LCS_GDT     T    11_B     T    11_B     11   14  281      4   61   92  117  147  186  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     N    12_B     N    12_B     11   14  281      9   23   69  100  143  182  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     S    13_B     S    13_B     11   33  281      4   54   94  118  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     I    14_B     I    14_B     11   34  281     29   63   94  119  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     V    15_B     V    15_B     11   34  281     20   63   94  119  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     N    16_B     N    16_B     11   34  281     31   64   94  118  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     L    17_B     L    17_B     11   53  281      5   58   92  118  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     I    18_B     I    18_B     29   53  281     10   65  107  128  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     G    19_B     G    19_B     29   53  281      5   44  107  128  134  169  213  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     N    20_B     N    20_B     29   53  281      3   90  113  128  134  144  209  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     T    21_B     T    21_B     29   53  281     58   90  113  128  134  180  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     P    22_B     P    22_B     29   53  281     58   90  113  128  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     I    23_B     I    23_B     29   53  281     56   90  113  128  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     V    24_B     V    24_B     29   53  281     58   90  113  128  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     K    25_B     K    25_B     29   53  281     58   90  113  128  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     L    26_B     L    26_B     29   53  281     58   90  113  128  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     N    27_B     N    27_B     29   53  281     58   90  113  128  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     R    28_B     R    28_B     29   53  281     58   90  113  128  156  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     V    29_B     V    29_B     29   53  281     58   90  113  128  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     V    30_B     V    30_B     29   53  281     58   90  113  128  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     P    31_B     P    31_B     29   53  281     58   90  113  128  151  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     E    32_B     E    32_B     29   53  281     58   90  113  128  139  183  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     D    33_B     D    33_B     29  119  281     58   90  113  128  134  177  212  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     A    34_B     A    34_B     29  119  281     43   90  113  128  143  192  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     A    35_B     A    35_B     29  119  281     58   90  113  128  151  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     D    36_B     D    36_B     29  119  281     58   90  113  128  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     V    37_B     V    37_B     29  119  281     58   90  113  128  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     Y    38_B     Y    38_B     29  119  281     58   90  113  128  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     V    39_B     V    39_B     29  119  281     58   90  113  128  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     K    40_B     K    40_B     29  119  281     58   90  113  128  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     L    41_B     L    41_B     29  119  281     58   90  113  128  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     E    42_B     E    42_B     29  119  281     56   90  113  128  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     F    43_B     F    43_B     29  119  281     43   90  113  128  146  188  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     F    44_B     F    44_B     29  119  281      4   37  113  128  134  148  204  226  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     N    45_B     N    45_B     29  119  281      4   75  113  128  134  141  184  226  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     P    46_B     P    46_B     29  119  281      5   19   63  123  134  141  149  196  234  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     G    47_B     G    47_B     23  119  281     27   70   92  119  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     G    48_B     G    48_B     27  119  281      4   12   46   76  116  161  207  228  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     S    49_B     S    49_B     31  119  281      3   18   59   89  134  187  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     I    50_B     I    50_B     31  119  281      3   18   53   89  127  187  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     K    51_B     K    51_B     31  119  281      6   17   37   89  114  184  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     D    52_B     D    52_B     31  119  281     26   70   92  117  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     R    53_B     R    53_B     31  119  281     25   59   94  119  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     I    54_B     I    54_B     31  119  281     10   24   65  116  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     A    55_B     A    55_B     31  119  281      8   45   89  116  157  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     L    56_B     L    56_B     31  119  281     38   70   94  119  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     A    57_B     A    57_B     31  119  281     11   58   94  119  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     M    58_B     M    58_B     31  119  281     10   62   94  119  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     I    59_B     I    59_B     31  119  281     36   70   94  119  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     E    60_B     E    60_B     31  119  281     32   70   94  119  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     E    61_B     E    61_B     31  119  281     31   70   94  119  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     A    62_B     A    62_B     31  119  281     38   70   94  119  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     E    63_B     E    63_B     31  119  281     32   70   94  119  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     K    64_B     K    64_B     31  119  281     32   70   94  119  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     A    65_B     A    65_B     31  119  281     32   70   94  119  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     G    66_B     G    66_B     31  119  281     17   70   94  119  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     K    67_B     K    67_B     37  119  281     17   70   94  119  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     L    68_B     L    68_B     37  119  281     11   70   94  119  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     Q    69_B     Q    69_B     37  119  281     31   70   94  119  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     A    70_B     A    70_B     37  119  281      3   62   94  119  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     G    71_B     G    71_B     78  119  281     38   70   94  119  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     G    72_B     G    72_B     78  119  281     38   70   94  119  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     T    73_B     T    73_B     78  119  281     38   70   94  119  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     I    74_B     I    74_B     78  119  281     38   70   94  119  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     V    75_B     V    75_B     78  119  281     38   70   94  119  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     E    76_B     E    76_B     78  119  281     28   70   94  119  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     P    77_B     P    77_B     78  119  281     38   70   94  119  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     T    78_B     T    78_B     78  119  281     38   70   94  119  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     S    79_B     S    79_B     78  119  281     25   63   94  119  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     G    80_B     G    80_B     78  119  281      5   35   91  119  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     N    81_B     N    81_B     78  119  281      9   61  105  124  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     T    82_B     T    82_B     78  119  281     13   42   98  120  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     G    83_B     G    83_B     78  119  281     14   64   94  119  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     V    84_B     V    84_B     78  119  281     14   63   94  119  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     G    85_B     G    85_B     78  119  281     14   61   89  118  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     L    86_B     L    86_B     78  119  281     14   62   92  119  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     A    87_B     A    87_B     78  119  281     35   68   94  119  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     M    88_B     M    88_B     78  119  281     35   67   92  119  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     V    89_B     V    89_B     78  119  281     14   65   92  118  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     A    90_B     A    90_B     78  119  281     16   68   92  118  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     A    91_B     A    91_B     78  119  281     38   70   94  119  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     A    92_B     A    92_B     78  119  281     16   67   92  117  156  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     K    93_B     K    93_B     78  119  281     16   67   92  118  156  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     G    94_B     G    94_B     78  119  281     37   68   92  118  157  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     Y    95_B     Y    95_B     78  119  281     38   70   94  119  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     H    96_B     H    96_B     78  119  281     38   70   94  119  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     L    97_B     L    97_B     78  119  281     38   70   94  119  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     V    98_B     V    98_B     78  119  281     38   70   94  119  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     I    99_B     I    99_B     78  119  281     38   70   94  119  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     T   100_B     T   100_B     78  119  281     38   70   94  119  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     M   101_B     M   101_B     78  119  281     38   70   94  119  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     P   102_B     P   102_B     78  119  281     38   70   94  118  157  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     E   103_B     E   103_B     78  119  281     38   70   94  118  157  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     T   104_B     T   104_B     78  119  281     30   70   94  118  152  194  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     M   105_B     M   105_B     78  119  281      4   25   73  112  151  192  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     S   106_B     S   106_B     78  119  281      3    3    3   81  137  185  209  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     V   107_B     V   107_B     78  119  281      7   25   62   96  150  192  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     E   108_B     E   108_B     78  119  281      5   62   92  118  157  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     R   109_B     R   109_B     78  119  281     38   70   94  119  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     R   110_B     R   110_B     78  119  281     10   70   92  119  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     K   111_B     K   111_B     78  119  281     22   70   94  119  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     L   112_B     L   112_B     78  119  281     38   70   94  119  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     M   113_B     M   113_B     78  119  281     38   70   94  119  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     Q   114_B     Q   114_B     78  119  281     38   70   94  119  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     G   115_B     G   115_B     78  119  281     37   70   94  119  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     Y   116_B     Y   116_B     78  119  281     38   70   94  119  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     G   117_B     G   117_B     78  119  281     38   70   94  119  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     A   118_B     A   118_B     78  119  281     38   70   94  119  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     E   119_B     E   119_B     78  119  281     38   70   94  119  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     L   120_B     L   120_B     78  119  281     38   70   94  119  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     I   121_B     I   121_B     78  119  281     38   70   94  119  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     L   122_B     L   122_B     78  119  281     38   70   94  119  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     T   123_B     T   123_B     78  119  281     33   70   94  118  157  194  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     P   124_B     P   124_B     78  119  281      4   67   90  117  145  183  211  229  240  245  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     G   125_B     G   125_B     78  119  281     19   68   92  117  144  180  211  229  240  245  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     A   126_B     A   126_B     78  119  281     22   60   89  109  127  162  189  221  234  243  248  253  258  263  267  268  270  273  273  274 
LCS_GDT     D   127_B     D   127_B     78  119  281     38   70   92  117  145  183  211  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     G   128_B     G   128_B     78  119  281     38   70   94  118  157  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     M   129_B     M   129_B     78  119  281     34   70   94  118  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     K   130_B     K   130_B     78  119  281     38   70   94  118  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     G   131_B     G   131_B     78  119  281     38   70   94  118  157  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     A   132_B     A   132_B     78  119  281     38   70   94  119  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     I   133_B     I   133_B     78  119  281     38   70   94  119  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     A   134_B     A   134_B     78  119  281     38   70   94  118  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     K   135_B     K   135_B     78  119  281     38   70   94  119  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     A   136_B     A   136_B     78  119  281     38   70   94  119  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     E   137_B     E   137_B     78  119  281     38   70   94  119  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     E   138_B     E   138_B     78  119  281     38   70   94  119  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     L   139_B     L   139_B     78  119  281     37   70   94  119  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     V   140_B     V   140_B     78  119  281     10   70   94  119  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     K   141_B     K   141_B     78  119  281     18   70   94  119  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     E   142_B     E   142_B     78  119  281     22   70   94  119  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     K   143_B     K   143_B     78  119  281     22   70   94  119  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     G   144_B     G   144_B     78  119  281     26   70   94  119  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     Y   145_B     Y   145_B     78  119  281     38   70   94  119  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     F   146_B     F   146_B     78  119  281     38   70   94  119  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     M   147_B     M   147_B     78  119  281     38   70   94  119  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     P   148_B     P   148_B     78  119  281     34   70   94  119  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     M   149_B     M   149_B     68  119  281      3    7   56  100  151  193  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     Q   150_B     Q   150_B     68  119  281      7   60   87  105  151  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     F   151_B     F   151_B     43  119  281      3   16   39  101  153  194  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     D   152_B     D   152_B      6  119  281      3   15   23   75   84  154  192  228  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     N   153_B     N   153_B      6  119  281      5   14   27   50   74  115  134  158  186  212  248  255  258  263  267  268  270  273  273  275 
LCS_GDT     P   154_B     P   154_B      6  118  281      4    9   25   47   60   91  104  150  163  216  236  253  258  263  267  268  270  273  273  275 
LCS_GDT     A   155_B     A   155_B      6  110  281      3    6    6    7   21   25   48   69   81  101  115  139  163  211  221  246  265  271  272  274 
LCS_GDT     H   160_B     H   160_B      4   16  281      3    4    4    7   13   20   22   25   34   57   69   96  123  178  241  260  266  269  272  274 
LCS_GDT     E   161_B     E   161_B      5   16  281      3    4    6   13   23   48  100  144  193  223  237  252  258  263  267  268  270  273  273  275 
LCS_GDT     E   162_B     E   162_B     12   16  281      3    7   20   40   69  100  111  172  203  230  248  255  258  263  267  268  270  273  273  275 
LCS_GDT     T   163_B     T   163_B     12   16  281      8   11   13   18   33   58   92  128  172  209  228  242  257  263  267  268  270  273  273  275 
LCS_GDT     T   164_B     T   164_B     12   16  281      8   11   13   17   26   28   44   73  109  181  225  238  251  261  267  268  270  273  273  275 
LCS_GDT     G   165_B     G   165_B     12   16  281      8   11   17   29   43   75  126  182  218  231  248  255  258  263  267  268  270  273  273  275 
LCS_GDT     K   166_B     K   166_B     12   16  281      8   11   14   39   72  100  144  191  225  242  249  255  258  263  267  268  270  273  273  275 
LCS_GDT     E   167_B     E   167_B     12   16  281      8   11   22   39   52   69  114  135  147  166  224  244  257  263  267  268  270  273  273  275 
LCS_GDT     I   168_B     I   168_B     12   16  281      8   11   13   21   48   88  114  137  147  158  215  238  257  263  267  268  270  273  273  275 
LCS_GDT     L   169_B     L   169_B     12   16  281      8   16   50  113  130  139  142  150  186  228  248  255  258  263  267  268  270  273  273  275 
LCS_GDT     E   170_B     E   170_B     12   16  281      8   11   33   67  117  137  140  144  149  160  188  236  257  263  267  268  270  273  273  275 
LCS_GDT     A   171_B     A   171_B     12   16  281      8   11   15   27   60   93  119  137  147  150  155  171  190  219  256  267  270  273  273  275 
LCS_GDT     F   172_B     F   172_B     12   16  281      8   11   15   39   54   95  122  137  147  151  163  175  219  246  265  268  270  273  273  275 
LCS_GDT     G   173_B     G   173_B     12   16  281      8   11   13   27   52   74  102  117  143  148  153  164  186  223  247  268  270  273  273  275 
LCS_GDT     D   174_B     D   174_B      5   39  281      3    7   13   29   49   69  112  130  143  149  153  159  169  192  218  250  268  273  273  275 
LCS_GDT     D   175_B     D   175_B      5   39  281      3    7   15   31   68  105  126  142  147  152  165  212  237  260  267  268  270  273  273  275 
LCS_GDT     I   176_B     I   176_B      5   39  281      3    5   25   46   83  116  132  142  147  159  209  238  257  263  267  268  270  273  273  275 
LCS_GDT     P   177_B     P   177_B     18   39  281      8   77  108  127  134  152  209  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     D   178_B     D   178_B     18   39  281     58   90  113  128  150  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     A   179_B     A   179_B     23   39  281     58   90  113  128  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     F   180_B     F   180_B     23   39  281     58   90  113  128  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     V   181_B     V   181_B     23   39  281     58   90  113  128  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     A   182_B     A   182_B     23   39  281     58   90  113  128  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     G   183_B     G   183_B     23   39  281     18   89  113  128  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     V   184_B     V   184_B     23   39  281     18   90  113  128  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     G   185_B     G   185_B     23   39  281     13   60  111  127  156  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     T   186_B     T   186_B     23   39  281      8   22   49   92  131  139  160  207  238  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     G   187_B     G   187_B     23   39  281      8   42   88  125  139  188  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     G   188_B     G   188_B     23   39  281      8   38   80  100  131  146  198  227  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     T   189_B     T   189_B     24   39  281      8   30   66  110  134  182  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     L   190_B     L   190_B     24   39  281     16   90  113  128  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     T   191_B     T   191_B     24   39  281     34   64  112  128  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     G   192_B     G   192_B     24   39  281     13   60  105  126  156  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     V   193_B     V   193_B     24   39  281     19   86  113  128  156  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     G   194_B     G   194_B     24   39  281     13   82  113  128  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     H   195_B     H   195_B     24   39  281     13   76  112  128  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     A   196_B     A   196_B     24   39  281     24   90  113  128  153  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     L   197_B     L   197_B     24   39  281     14   90  113  128  152  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     K   198_B     K   198_B     24   39  281      9   62  113  128  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     K   199_B     K   199_B     24   39  281      9   60  113  128  143  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     A   200_B     A   200_B     24   39  281      4   60  111  128  157  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     N   201_B     N   201_B     24   39  281      9   73  112  128  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     P   202_B     P   202_B     24   39  281     13   80  113  128  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     N   203_B     N   203_B     24   39  281     23   90  113  128  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     V   204_B     V   204_B     24   39  281     56   90  113  128  155  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     Q   205_B     Q   205_B     24   39  281     56   90  113  128  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     I   206_B     I   206_B     24   39  281     56   90  113  128  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     Y   207_B     Y   207_B     24   39  281     58   90  113  128  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     A   208_B     A   208_B     24   39  281     58   90  113  128  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     L   209_B     L   209_B     24   39  281     38   90  113  128  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     E   210_B     E   210_B     24   39  281     58   90  113  128  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     P   211_B     P   211_B     24   39  281     22   89  113  128  145  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     A   212_B     A   212_B     24   39  281     22   56  110  128  134  184  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     P   236_B     P   236_B      3   37  281      0    3    3    8   10   27   33   54   78  120  146  151  155  163  175  196  208  251  267  275 
LCS_GDT     K   237_B     K   237_B      3   77  281      0    3    8   13   19   30   36   74   88  113  124  141  149  185  190  196  232  239  267  275 
LCS_GDT     V   238_B     V   238_B      5   77  281      3    6    6   13   31   46   59   74  100  120  133  141  151  157  190  196  208  220  259  275 
LCS_GDT     L   239_B     L   239_B      6   77  281      4    8   16   35   61  106  135  142  147  169  221  232  254  262  267  268  270  273  273  275 
LCS_GDT     D   240_B     D   240_B      6   77  281      4   14   71   99  127  139  160  179  215  236  249  255  258  263  267  268  270  273  273  275 
LCS_GDT     T   241_B     T   241_B     73   77  281      5   52  105  128  144  188  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     D   242_B     D   242_B     73   77  281     34   90  113  128  157  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     V   243_B     V   243_B     73   77  281     14   85  113  128  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     Y   244_B     Y   244_B     73   77  281     29   90  113  128  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     N   245_B     N   245_B     73   77  281     33   90  113  128  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     G   246_B     G   246_B     73   77  281     56   90  113  128  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     I   247_B     I   247_B     73   77  281     44   90  113  128  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     L   248_B     L   248_B     73   77  281     57   90  113  128  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     E   249_B     E   249_B     73   77  281     50   90  113  128  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     I   250_B     I   250_B     73   77  281     58   90  113  128  156  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     K   251_B     K   251_B     73   77  281     58   90  113  128  145  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     S   252_B     S   252_B     73   77  281     17   83  113  128  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     D   253_B     D   253_B     73   77  281     17   70  106  128  153  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     D   254_B     D   254_B     73   77  281     16   73  112  128  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     A   255_B     A   255_B     73   77  281     16   71  111  128  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     I   256_B     I   256_B     73   77  281     38   90  113  128  156  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     T   257_B     T   257_B     73   77  281     41   90  113  128  153  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     M   258_B     M   258_B     73   77  281     16   89  113  128  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     A   259_B     A   259_B     73   77  281     50   90  113  128  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     R   260_B     R   260_B     73   77  281     58   90  113  128  156  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     E   261_B     E   261_B     73   77  281     56   90  113  128  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     V   262_B     V   262_B     73   77  281     58   90  113  128  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     G   263_B     G   263_B     73   77  281     58   90  113  128  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     H   264_B     H   264_B     73   77  281     58   90  113  128  156  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     Q   265_B     Q   265_B     73   77  281     44   90  113  128  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     E   266_B     E   266_B     73   77  281     58   90  113  128  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     G   267_B     G   267_B     73   77  281     58   90  113  128  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     I   268_B     I   268_B     73   77  281     56   90  113  128  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     L   269_B     L   269_B     73   77  281     58   90  113  128  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     V   270_B     V   270_B     73   77  281     30   90  113  128  149  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     G   271_B     G   271_B     73   77  281     30   90  113  128  134  160  210  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     I   272_B     I   272_B     73   77  281     21   90  113  128  134  155  210  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     S   273_B     S   273_B     73   77  281     58   90  113  128  148  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     A   274_B     A   274_B     73   77  281     58   90  113  128  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     G   275_B     G   275_B     73   77  281     58   90  113  128  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     A   276_B     A   276_B     73   77  281     58   90  113  128  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     N   277_B     N   277_B     73   77  281     58   90  113  128  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     I   278_B     I   278_B     73   77  281     58   90  113  128  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     K   279_B     K   279_B     73   77  281     58   90  113  128  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     G   280_B     G   280_B     73   77  281     58   90  113  128  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     A   281_B     A   281_B     73   77  281     58   90  113  128  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     I   282_B     I   282_B     73   77  281     58   90  113  128  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     E   283_B     E   283_B     73   77  281     58   90  113  128  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     V   284_B     V   284_B     73   77  281     58   90  113  128  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     A   285_B     A   285_B     73   77  281     58   90  113  128  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     K   286_B     K   286_B     73   77  281     58   90  113  128  153  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     K   287_B     K   287_B     73   77  281     58   90  113  128  153  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     L   288_B     L   288_B     73   77  281     58   90  113  128  150  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     G   289_B     G   289_B     73   77  281     58   90  113  128  136  192  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     K   290_B     K   290_B     73   77  281     55   90  113  128  134  192  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     G   291_B     G   291_B     73   77  281     16   70  113  128  134  156  212  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     K   292_B     K   292_B     73   77  281     46   90  113  128  134  192  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     Q   293_B     Q   293_B     73   77  281     58   90  113  128  152  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     V   294_B     V   294_B     73   77  281     58   90  113  128  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     I   295_B     I   295_B     73   77  281     58   90  113  128  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     T   296_B     T   296_B     73   77  281     58   90  113  128  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     V   297_B     V   297_B     73   77  281     58   90  113  128  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     A   298_B     A   298_B     73   77  281     58   90  113  128  158  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     P   299_B     P   299_B     73   77  281     58   90  113  128  154  196  214  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     D   300_B     D   300_B     73   77  281     17   70  108  128  134  141  192  223  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     G   301_B     G   301_B     73   77  281     17   81  113  128  134  163  206  229  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     G   302_B     G   302_B     73   77  281     19   90  113  128  134  141  193  228  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     D   303_B     D   303_B     73   77  281     58   90  113  128  134  145  204  228  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     R   304_B     R   304_B     73   77  281      4   88  113  128  134  142  197  223  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     Y   305_B     Y   305_B     73   77  281     45   90  113  128  134  141  180  223  238  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     L   306_B     L   306_B     73   77  281      8   90  113  128  134  141  193  226  240  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     S   307_B     S   307_B     73   77  281     46   90  113  128  134  141  154  212  237  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     T   308_B     T   308_B     73   77  281     30   90  113  128  134  141  153  190  233  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     E   309_B     E   309_B     73   77  281     14   85  110  128  134  141  154  190  225  245  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     L   310_B     L   310_B     73   77  281      5   56  110  128  134  141  169  213  238  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     F   311_B     F   311_B     73   77  281      4   14  101  128  134  141  158  212  238  246  251  255  258  263  267  268  270  273  273  275 
LCS_GDT     N   312_B     N   312_B     73   77  281      3   75  101  119  132  139  145  161  194  238  251  253  258  263  267  268  270  273  273  275 
LCS_GDT     Y   313_B     Y   313_B     73   77  281      3    3   91  114  132  140  150  170  196  238  248  255  258  263  267  268  270  273  273  275 
LCS_AVERAGE  LCS_A:  49.28  (  18.19   29.65  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     58     90    113    128    158    196    214    229    240    246    251    255    258    263    267    268    270    273    273    275 
GDT PERCENT_AT  20.64  32.03  40.21  45.55  56.23  69.75  76.16  81.49  85.41  87.54  89.32  90.75  91.81  93.59  95.02  95.37  96.09  97.15  97.15  97.86
GDT RMS_LOCAL    0.31   0.52   0.79   1.01   1.70   1.99   2.13   2.29   2.43   2.58   2.67   2.80   2.86   3.09   3.24   3.23   3.32   3.49   3.49   3.76
GDT RMS_ALL_AT   6.72   6.69   6.30   6.14   4.21   4.18   4.18   4.17   4.17   4.16   4.16   4.13   4.13   4.11   4.10   4.10   4.10   4.10   4.10   4.09

# Checking swapping
#   possible swapping detected:  D    33_B      D    33_B
#   possible swapping detected:  Y    38_B      Y    38_B
#   possible swapping detected:  F    44_B      F    44_B
#   possible swapping detected:  E    60_B      E    60_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   138_B      E   138_B
#   possible swapping detected:  Y   145_B      Y   145_B
#   possible swapping detected:  E   161_B      E   161_B
#   possible swapping detected:  Y   207_B      Y   207_B
#   possible swapping detected:  D   242_B      D   242_B
#   possible swapping detected:  D   254_B      D   254_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

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    H     6_B      H     6_B    15.513     0    0.608   0.911    17.932    0.000    0.000
LGA    H     7_B      H     7_B    13.148     0    0.633   1.052    14.065    0.000    0.000
LGA    T     8_B      T     8_B    10.126     0    0.105   1.150    12.909    1.905    1.088
LGA    K     9_B      K     9_B     6.630     4    0.121   0.125     7.904   10.952    6.772
LGA    I    10_B      I    10_B     5.972     0    0.097   0.323     8.757   25.119   17.976
LGA    T    11_B      T    11_B     3.712     0    0.061   1.059     4.595   38.810   41.020
LGA    N    12_B      N    12_B     3.820     0    0.173   1.424     8.931   48.452   32.560
LGA    S    13_B      S    13_B     2.604     0    0.176   0.561     3.057   59.167   61.111
LGA    I    14_B      I    14_B     1.732     0    0.090   0.671     2.695   72.976   73.095
LGA    V    15_B      V    15_B     0.942     0    0.056   0.294     1.380   83.690   84.014
LGA    N    16_B      N    16_B     2.417     0    0.091   0.172     3.262   62.976   59.167
LGA    L    17_B      L    17_B     2.599     0    0.033   1.021     4.463   57.262   56.607
LGA    I    18_B      I    18_B     2.487     0    0.058   0.643     3.151   57.381   60.179
LGA    G    19_B      G    19_B     4.053     0    0.691   0.691     4.621   38.810   38.810
LGA    N    20_B      N    20_B     4.019     0    0.090   0.184     4.889   41.905   40.357
LGA    T    21_B      T    21_B     3.478     0    0.024   0.159     4.114   48.333   45.306
LGA    P    22_B      P    22_B     2.328     0    0.029   0.145     2.838   62.857   62.585
LGA    I    23_B      I    23_B     1.707     0    0.092   0.166     3.042   72.976   67.024
LGA    V    24_B      V    24_B     1.417     0    0.146   1.046     2.991   81.429   77.959
LGA    K    25_B      K    25_B     1.430     0    0.023   0.638     3.458   81.429   70.582
LGA    L    26_B      L    26_B     1.157     0    0.061   0.101     2.035   75.119   81.667
LGA    N    27_B      N    27_B     1.996     0    0.189   0.206     3.233   67.262   65.060
LGA    R    28_B      R    28_B     2.446     0    0.053   0.446     3.258   62.857   57.922
LGA    V    29_B      V    29_B     2.308     0    0.069   0.090     2.346   64.762   68.299
LGA    V    30_B      V    30_B     2.309     0    0.096   0.635     3.633   57.500   57.551
LGA    P    31_B      P    31_B     3.047     0    0.098   0.106     3.227   53.690   55.238
LGA    E    32_B      E    32_B     3.691     4    0.042   0.072     4.033   43.333   23.386
LGA    D    33_B      D    33_B     4.046     0    0.081   0.697     5.921   43.452   37.679
LGA    A    34_B      A    34_B     3.262     0    0.024   0.066     3.559   48.333   50.095
LGA    A    35_B      A    35_B     2.856     0    0.094   0.102     3.027   61.190   60.381
LGA    D    36_B      D    36_B     2.025     0    0.057   0.193     2.877   68.810   63.929
LGA    V    37_B      V    37_B     1.193     0    0.035   0.118     1.415   83.690   86.599
LGA    Y    38_B      Y    38_B     1.357     0    0.030   0.312     3.519   81.429   65.476
LGA    V    39_B      V    39_B     1.300     0    0.054   0.914     2.725   77.143   74.286
LGA    K    40_B      K    40_B     1.807     0    0.040   0.168     3.954   75.000   62.063
LGA    L    41_B      L    41_B     2.065     0    0.126   0.119     3.276   61.190   69.226
LGA    E    42_B      E    42_B     2.640     0    0.112   1.249     6.324   57.262   50.688
LGA    F    43_B      F    43_B     3.334     0    0.073   0.215     5.578   45.119   37.749
LGA    F    44_B      F    44_B     4.393     0    0.133   0.934     9.124   33.333   20.693
LGA    N    45_B      N    45_B     4.507     0    0.126   1.093     5.462   38.929   35.952
LGA    P    46_B      P    46_B     5.683     0    0.035   0.230     8.089   27.738   19.864
LGA    G    47_B      G    47_B     1.891     0    0.249   0.249     5.304   53.452   53.452
LGA    G    48_B      G    48_B     4.045     0    0.075   0.075     5.380   39.405   39.405
LGA    S    49_B      S    49_B     3.318     0    0.081   0.086     3.328   50.000   50.000
LGA    I    50_B      I    50_B     3.342     0    0.148   1.149     5.620   51.786   48.274
LGA    K    51_B      K    51_B     3.524     2    0.140   0.787     4.266   46.667   36.032
LGA    D    52_B      D    52_B     2.519     0    0.050   0.121     4.495   65.000   54.345
LGA    R    53_B      R    53_B     0.507     0    0.099   0.910     6.995   85.952   55.281
LGA    I    54_B      I    54_B     2.286     0    0.046   1.153     5.734   66.786   49.524
LGA    A    55_B      A    55_B     2.495     0    0.043   0.067     2.957   64.762   63.238
LGA    L    56_B      L    56_B     1.350     0    0.035   1.420     3.713   79.286   71.607
LGA    A    57_B      A    57_B     1.475     0    0.060   0.093     1.756   79.286   78.000
LGA    M    58_B      M    58_B     1.764     0    0.053   0.363     2.824   72.857   67.857
LGA    I    59_B      I    59_B     1.406     0    0.029   0.192     1.825   79.286   78.214
LGA    E    60_B      E    60_B     1.340     0    0.037   1.252     5.083   81.429   69.788
LGA    E    61_B      E    61_B     1.333     0    0.057   1.046     3.291   81.429   71.481
LGA    A    62_B      A    62_B     1.107     0    0.040   0.052     1.250   81.429   81.429
LGA    E    63_B      E    63_B     1.187     0    0.082   0.404     1.783   81.429   79.524
LGA    K    64_B      K    64_B     1.310     4    0.036   0.056     1.489   81.429   45.238
LGA    A    65_B      A    65_B     1.308     0    0.268   0.262     2.008   79.286   76.381
LGA    G    66_B      G    66_B     1.223     0    0.132   0.132     1.389   83.690   83.690
LGA    K    67_B      K    67_B     1.320     4    0.135   0.143     1.906   79.286   43.333
LGA    L    68_B      L    68_B     0.905     0    0.051   1.380     2.806   85.952   77.619
LGA    Q    69_B      Q    69_B     1.767     4    0.103   0.213     2.431   75.000   40.529
LGA    A    70_B      A    70_B     2.289     0    0.038   0.055     2.836   68.810   66.476
LGA    G    71_B      G    71_B     2.248     0    0.185   0.185     2.371   64.762   64.762
LGA    G    72_B      G    72_B     1.788     0    0.061   0.061     1.899   72.857   72.857
LGA    T    73_B      T    73_B     1.554     0    0.058   1.054     3.408   77.143   70.884
LGA    I    74_B      I    74_B     1.215     0    0.024   0.151     1.528   79.286   81.488
LGA    V    75_B      V    75_B     1.166     0    0.042   1.215     3.144   85.952   77.075
LGA    E    76_B      E    76_B     0.915     0    0.098   0.241     1.026   85.952   89.524
LGA    P    77_B      P    77_B     1.370     0    0.067   0.179     1.735   81.429   80.204
LGA    T    78_B      T    78_B     1.361     0    0.222   0.491     2.365   77.262   77.823
LGA    S    79_B      S    79_B     1.213     0    0.702   0.832     3.052   73.571   74.762
LGA    G    80_B      G    80_B     1.842     0    0.061   0.061     1.842   75.000   75.000
LGA    N    81_B      N    81_B     2.140     3    0.109   0.127     3.028   64.762   38.631
LGA    T    82_B      T    82_B     2.327     0    0.071   0.177     3.104   66.786   60.612
LGA    G    83_B      G    83_B     1.109     0    0.056   0.056     1.370   81.429   81.429
LGA    V    84_B      V    84_B     1.462     0    0.044   1.125     4.012   77.143   71.429
LGA    G    85_B      G    85_B     2.084     0    0.029   0.029     2.170   68.810   68.810
LGA    L    86_B      L    86_B     1.845     0    0.027   1.381     2.608   72.857   73.274
LGA    A    87_B      A    87_B     1.293     0    0.057   0.067     1.461   81.429   81.429
LGA    M    88_B      M    88_B     1.839     0    0.076   0.972     2.508   68.810   66.845
LGA    V    89_B      V    89_B     2.569     0    0.053   0.160     3.119   60.952   58.299
LGA    A    90_B      A    90_B     2.182     0    0.062   0.067     2.540   62.857   63.238
LGA    A    91_B      A    91_B     1.795     0    0.027   0.040     2.413   68.810   71.333
LGA    A    92_B      A    92_B     2.839     0    0.043   0.052     3.269   55.476   54.381
LGA    K    93_B      K    93_B     2.926     0    0.042   1.084     3.647   55.357   55.820
LGA    G    94_B      G    94_B     2.705     0    0.161   0.161     2.705   60.952   60.952
LGA    Y    95_B      Y    95_B     1.683     0    0.111   0.185     1.969   72.857   75.714
LGA    H    96_B      H    96_B     1.376     0    0.077   1.012     7.165   79.286   51.905
LGA    L    97_B      L    97_B     0.933     0    0.049   0.120     1.110   88.214   90.536
LGA    V    98_B      V    98_B     1.206     0    0.028   0.110     1.470   81.429   81.429
LGA    I    99_B      I    99_B     1.007     0    0.056   0.090     1.372   81.429   85.952
LGA    T   100_B      T   100_B     1.720     0    0.035   0.102     2.241   72.857   69.388
LGA    M   101_B      M   101_B     1.846     0    0.081   0.811     2.728   70.833   70.952
LGA    P   102_B      P   102_B     2.491     0    0.055   0.080     2.686   64.762   62.585
LGA    E   103_B      E   103_B     2.422     0    0.091   1.093     6.817   62.857   45.873
LGA    T   104_B      T   104_B     2.904     0    0.076   1.239     5.712   55.357   43.946
LGA    M   105_B      M   105_B     3.228     0    0.050   0.858     5.492   46.905   38.571
LGA    S   106_B      S   106_B     3.826     0    0.469   0.462     6.710   52.024   41.270
LGA    V   107_B      V   107_B     3.456     0    0.624   0.982     6.754   43.690   40.612
LGA    E   108_B      E   108_B     2.594     0    0.070   0.554     6.889   65.000   47.354
LGA    R   109_B      R   109_B     0.973     4    0.065   0.548     1.466   83.690   54.286
LGA    R   110_B      R   110_B     1.603     0    0.084   1.149     3.543   77.143   72.641
LGA    K   111_B      K   111_B     1.479     0    0.046   0.615     5.382   79.286   58.677
LGA    L   112_B      L   112_B     1.039     0    0.065   1.418     3.929   85.952   72.262
LGA    M   113_B      M   113_B     0.716     0    0.048   0.360     0.986   90.476   90.476
LGA    Q   114_B      Q   114_B     0.724     0    0.019   0.515     2.474   90.476   80.794
LGA    G   115_B      G   115_B     0.805     0    0.082   0.082     1.198   88.214   88.214
LGA    Y   116_B      Y   116_B     0.720     0    0.162   0.260     1.365   88.214   85.198
LGA    G   117_B      G   117_B     0.812     0    0.063   0.063     1.234   88.214   88.214
LGA    A   118_B      A   118_B     0.634     0    0.045   0.049     0.790   90.476   92.381
LGA    E   119_B      E   119_B     1.341     0    0.069   0.120     2.346   81.429   74.868
LGA    L   120_B      L   120_B     1.385     0    0.021   0.308     1.906   77.143   80.417
LGA    I   121_B      I   121_B     1.781     1    0.035   0.104     2.108   72.857   62.738
LGA    L   122_B      L   122_B     2.003     0    0.119   0.945     3.632   66.786   65.179
LGA    T   123_B      T   123_B     2.724     0    0.071   0.079     2.907   57.143   57.143
LGA    P   124_B      P   124_B     3.594     0    0.047   0.126     4.099   45.000   42.517
LGA    G   125_B      G   125_B     3.629     0    0.079   0.079     4.122   41.905   41.905
LGA    A   126_B      A   126_B     4.965     0    0.094   0.106     5.417   31.548   30.476
LGA    D   127_B      D   127_B     3.528     0    0.129   0.970     6.050   46.667   39.583
LGA    G   128_B      G   128_B     2.611     0    0.030   0.030     2.769   60.952   60.952
LGA    M   129_B      M   129_B     2.352     0    0.035   0.913     5.718   64.762   54.940
LGA    K   130_B      K   130_B     2.442     4    0.033   0.082     2.479   64.762   35.979
LGA    G   131_B      G   131_B     2.567     0    0.044   0.044     2.611   60.952   60.952
LGA    A   132_B      A   132_B     2.004     0    0.047   0.063     2.285   68.810   69.619
LGA    I   133_B      I   133_B     1.610     0    0.103   1.117     2.992   72.857   70.952
LGA    A   134_B      A   134_B     2.209     0    0.051   0.065     2.347   64.762   64.762
LGA    K   135_B      K   135_B     2.165     0    0.034   0.804     5.312   64.762   52.646
LGA    A   136_B      A   136_B     1.757     0    0.056   0.076     1.927   72.857   72.857
LGA    E   137_B      E   137_B     1.544     2    0.057   0.698     1.719   72.857   59.524
LGA    E   138_B      E   138_B     1.871     0    0.041   1.222     6.714   72.857   51.905
LGA    L   139_B      L   139_B     2.030     0    0.050   0.312     2.994   66.786   65.833
LGA    V   140_B      V   140_B     2.076     0    0.112   0.165     2.302   68.810   67.075
LGA    K   141_B      K   141_B     1.512     4    0.036   0.064     1.721   75.000   42.381
LGA    E   142_B      E   142_B     1.372     4    0.150   0.193     1.538   77.143   43.333
LGA    K   143_B      K   143_B     1.317     4    0.048   0.071     1.461   81.429   45.238
LGA    G   144_B      G   144_B     1.502     0    0.058   0.058     1.517   77.143   77.143
LGA    Y   145_B      Y   145_B     1.337     0    0.014   0.693     3.700   81.429   67.460
LGA    F   146_B      F   146_B     0.816     0    0.080   0.130     1.125   88.214   88.831
LGA    M   147_B      M   147_B     0.713     0    0.044   0.734     3.378   90.476   85.417
LGA    P   148_B      P   148_B     1.235     0    0.624   0.752     2.281   77.262   80.340
LGA    M   149_B      M   149_B     3.031     3    0.311   0.349     3.514   65.357   38.095
LGA    Q   150_B      Q   150_B     2.900     4    0.666   0.619     4.719   55.595   28.201
LGA    F   151_B      F   151_B     2.760     0    0.029   1.135    11.339   68.929   29.654
LGA    D   152_B      D   152_B     4.433     3    0.091   0.118     6.399   34.405   19.345
LGA    N   153_B      N   153_B     7.275     3    0.108   0.140     8.322   14.643    7.917
LGA    P   154_B      P   154_B     8.015     0    0.220   0.225    10.414    3.452    2.449
LGA    A   155_B      A   155_B    12.370     0    0.560   0.570    14.252    0.000    0.000
LGA    H   160_B      H   160_B    11.864     5    0.623   0.609    12.735    0.000    0.000
LGA    E   161_B      E   161_B     7.717     0    0.124   0.793     8.994    8.333   10.423
LGA    E   162_B      E   162_B     6.858     0    0.065   1.084    10.907   11.667    7.143
LGA    T   163_B      T   163_B     8.432     0    0.117   0.976    11.365    4.881    3.401
LGA    T   164_B      T   164_B     9.202     0    0.054   0.141    10.270    2.976    1.769
LGA    G   165_B      G   165_B     6.730     0    0.069   0.069     7.475   14.405   14.405
LGA    K   166_B      K   166_B     6.319     4    0.045   0.073     7.185   13.571    7.937
LGA    E   167_B      E   167_B     8.961     0    0.032   0.919     9.868    2.976    2.063
LGA    I   168_B      I   168_B     8.869     0    0.025   0.163     9.321    3.333    2.738
LGA    L   169_B      L   169_B     7.020     0    0.043   1.245     8.198    7.976   18.631
LGA    E   170_B      E   170_B     9.020     0    0.024   0.806    13.548    1.667    0.899
LGA    A   171_B      A   171_B    10.887     0    0.124   0.123    11.782    0.000    0.000
LGA    F   172_B      F   172_B     9.898     0    0.205   0.421     9.952    0.476    0.823
LGA    G   173_B      G   173_B    10.705     0    0.524   0.524    10.729    0.000    0.000
LGA    D   174_B      D   174_B    11.921     0    0.103   0.249    13.765    0.000    0.000
LGA    D   175_B      D   175_B     9.497     0    0.264   0.437    10.235    0.833    2.976
LGA    I   176_B      I   176_B     8.819     0    0.119   0.742    10.782    7.738    3.929
LGA    P   177_B      P   177_B     4.169     0    0.144   0.176     6.795   33.690   30.408
LGA    D   178_B      D   178_B     2.835     0    0.093   0.144     4.342   61.190   51.548
LGA    A   179_B      A   179_B     1.822     0    0.026   0.038     2.137   70.833   72.952
LGA    F   180_B      F   180_B     1.667     0    0.038   0.074     2.542   77.143   69.307
LGA    V   181_B      V   181_B     1.256     0    0.042   0.094     1.500   79.286   84.082
LGA    A   182_B      A   182_B     1.719     0    0.023   0.042     2.003   72.857   71.238
LGA    G   183_B      G   183_B     1.873     0    0.105   0.105     1.888   72.857   72.857
LGA    V   184_B      V   184_B     2.303     0    0.056   0.183     2.808   62.976   61.565
LGA    G   185_B      G   185_B     2.778     0    0.169   0.169     4.245   48.690   48.690
LGA    T   186_B      T   186_B     5.448     0    0.051   0.100     6.970   26.667   22.041
LGA    G   187_B      G   187_B     3.798     0    0.047   0.047     4.264   41.786   41.786
LGA    G   188_B      G   188_B     4.807     0    0.098   0.098     4.807   35.714   35.714
LGA    T   189_B      T   189_B     3.914     0    0.038   0.145     4.912   45.119   40.068
LGA    L   190_B      L   190_B     2.289     0    0.034   1.041     4.091   62.857   60.417
LGA    T   191_B      T   191_B     2.506     0    0.026   0.165     3.384   60.952   56.259
LGA    G   192_B      G   192_B     3.074     0    0.032   0.032     3.074   55.357   55.357
LGA    V   193_B      V   193_B     2.919     0    0.059   1.149     3.615   60.952   57.415
LGA    G   194_B      G   194_B     1.688     0    0.062   0.062     2.063   70.833   70.833
LGA    H   195_B      H   195_B     1.847     0    0.050   1.211     6.170   68.810   48.476
LGA    A   196_B      A   196_B     2.894     0    0.025   0.061     3.342   55.357   54.286
LGA    L   197_B      L   197_B     2.674     0    0.063   0.239     4.243   59.048   52.976
LGA    K   198_B      K   198_B     1.954     0    0.043   0.504     5.263   66.786   57.672
LGA    K   199_B      K   199_B     2.994     2    0.020   0.825     6.307   55.357   35.556
LGA    A   200_B      A   200_B     2.544     0    0.033   0.062     2.562   60.952   61.714
LGA    N   201_B      N   201_B     1.765     0    0.060   0.917     3.153   72.857   67.024
LGA    P   202_B      P   202_B     2.141     0    0.677   0.784     4.323   57.976   60.952
LGA    N   203_B      N   203_B     2.160     0    0.122   1.035     4.271   64.762   63.393
LGA    V   204_B      V   204_B     2.478     0    0.076   0.998     4.424   68.810   58.095
LGA    Q   205_B      Q   205_B     1.538     0    0.029   1.158     2.752   77.143   74.021
LGA    I   206_B      I   206_B     1.556     0    0.037   0.646     2.709   77.143   73.036
LGA    Y   207_B      Y   207_B     1.467     0    0.017   0.177     1.552   77.143   81.508
LGA    A   208_B      A   208_B     1.661     0    0.075   0.088     1.911   79.286   78.000
LGA    L   209_B      L   209_B     1.568     0    0.051   1.111     4.100   72.976   68.512
LGA    E   210_B      E   210_B     2.487     0    0.066   0.391     2.698   60.952   64.868
LGA    P   211_B      P   211_B     3.216     0    0.059   0.414     3.472   50.000   51.020
LGA    A   212_B      A   212_B     3.525     0    0.558   0.510     4.057   45.119   44.762
LGA    P   236_B      P   236_B    14.471     0    0.491   0.674    15.681    0.000    0.000
LGA    K   237_B      K   237_B    14.945     0    0.522   0.939    18.364    0.000    0.000
LGA    V   238_B      V   238_B    14.647     0    0.621   0.753    18.115    0.000    0.000
LGA    L   239_B      L   239_B     8.855     0    0.058   0.961    11.007    2.262    6.310
LGA    D   240_B      D   240_B     6.955     0    0.031   1.064     7.930   19.524   14.940
LGA    T   241_B      T   241_B     3.640     0    0.213   0.212     5.721   51.190   41.361
LGA    D   242_B      D   242_B     2.781     0    0.104   0.191     5.045   59.167   49.167
LGA    V   243_B      V   243_B     1.746     0    0.185   0.831     2.748   75.119   75.646
LGA    Y   244_B      Y   244_B     0.871     0    0.107   0.860     2.367   88.214   78.095
LGA    N   245_B      N   245_B     1.029     0    0.124   0.112     1.429   83.690   87.083
LGA    G   246_B      G   246_B     1.222     0    0.055   0.055     1.222   81.429   81.429
LGA    I   247_B      I   247_B     1.160     0    0.056   1.183     2.872   85.952   77.500
LGA    L   248_B      L   248_B     0.852     0    0.023   0.158     1.396   85.952   85.952
LGA    E   249_B      E   249_B     1.958     0    0.030   0.560     2.370   70.952   71.111
LGA    I   250_B      I   250_B     2.730     0    0.062   0.698     5.052   57.143   53.274
LGA    K   251_B      K   251_B     3.200     2    0.067   0.683     3.565   57.262   41.376
LGA    S   252_B      S   252_B     2.476     0    0.082   0.626     2.803   64.881   64.921
LGA    D   253_B      D   253_B     2.738     0    0.019   1.010     6.343   59.048   47.976
LGA    D   254_B      D   254_B     2.012     0    0.021   0.761     4.136   68.810   63.393
LGA    A   255_B      A   255_B     1.367     0    0.047   0.092     1.691   75.000   74.571
LGA    I   256_B      I   256_B     2.807     0    0.029   0.142     3.804   57.262   52.798
LGA    T   257_B      T   257_B     3.011     0    0.063   1.181     5.521   55.357   50.000
LGA    M   258_B      M   258_B     1.833     0    0.048   1.096     3.982   70.833   68.333
LGA    A   259_B      A   259_B     1.940     0    0.075   0.081     2.282   68.810   68.000
LGA    R   260_B      R   260_B     2.851     0    0.027   0.707     5.051   57.143   43.160
LGA    E   261_B      E   261_B     2.511     0    0.055   1.057     5.014   60.952   53.333
LGA    V   262_B      V   262_B     1.769     0    0.031   0.892     3.141   70.833   66.190
LGA    G   263_B      G   263_B     2.388     0    0.070   0.070     2.460   64.762   64.762
LGA    H   264_B      H   264_B     2.918     0    0.025   1.113     3.417   57.143   58.905
LGA    Q   265_B      Q   265_B     2.314     0    0.078   0.769     2.862   64.762   63.069
LGA    E   266_B      E   266_B     1.397     0    0.067   0.221     1.576   79.286   80.476
LGA    G   267_B      G   267_B     1.694     0    0.098   0.098     1.831   72.857   72.857
LGA    I   268_B      I   268_B     1.565     0    0.047   0.740     1.897   72.857   75.000
LGA    L   269_B      L   269_B     2.504     0    0.089   0.985     4.400   59.048   57.500
LGA    V   270_B      V   270_B     3.044     0    0.055   0.109     3.625   50.119   51.088
LGA    G   271_B      G   271_B     4.013     0    0.045   0.045     4.013   41.786   41.786
LGA    I   272_B      I   272_B     4.104     0    0.020   0.222     6.279   41.905   34.345
LGA    S   273_B      S   273_B     3.150     0    0.099   0.533     3.631   53.810   51.429
LGA    A   274_B      A   274_B     1.986     0    0.037   0.036     2.321   72.976   72.952
LGA    G   275_B      G   275_B     2.332     0    0.052   0.052     2.332   64.762   64.762
LGA    A   276_B      A   276_B     2.148     0    0.038   0.065     2.433   68.810   68.000
LGA    N   277_B      N   277_B     1.530     0    0.032   1.039     3.095   77.143   69.286
LGA    I   278_B      I   278_B     1.426     0    0.068   0.609     3.021   79.286   76.429
LGA    K   279_B      K   279_B     1.781     0    0.055   0.697     4.104   72.857   62.804
LGA    G   280_B      G   280_B     1.076     0    0.048   0.048     1.334   83.690   83.690
LGA    A   281_B      A   281_B     0.859     0    0.030   0.043     1.472   85.952   86.857
LGA    I   282_B      I   282_B     1.709     0    0.046   0.917     3.927   72.976   65.298
LGA    E   283_B      E   283_B     1.713     0    0.086   1.101     3.436   72.857   69.418
LGA    V   284_B      V   284_B     1.469     0    0.064   1.226     3.109   77.143   72.109
LGA    A   285_B      A   285_B     2.068     0    0.042   0.062     2.665   64.881   64.857
LGA    K   286_B      K   286_B     2.736     0    0.042   0.680     4.240   59.048   52.646
LGA    K   287_B      K   287_B     2.775     2    0.041   0.161     3.232   55.357   47.090
LGA    L   288_B      L   288_B     2.952     0    0.070   0.336     3.850   51.905   53.750
LGA    G   289_B      G   289_B     3.356     0    0.046   0.046     3.405   50.000   50.000
LGA    K   290_B      K   290_B     3.395     2    0.080   0.600     4.053   45.119   41.058
LGA    G   291_B      G   291_B     3.941     0    0.058   0.058     4.169   41.786   41.786
LGA    K   292_B      K   292_B     3.416     0    0.048   0.715     5.886   50.000   40.847
LGA    Q   293_B      Q   293_B     2.733     0    0.054   1.077     8.769   60.952   39.153
LGA    V   294_B      V   294_B     1.785     0    0.081   0.102     1.994   72.857   75.306
LGA    I   295_B      I   295_B     1.729     0    0.016   0.600     3.814   77.143   67.321
LGA    T   296_B      T   296_B     1.150     0    0.158   1.088     3.032   81.429   75.850
LGA    V   297_B      V   297_B     2.176     0    0.040   0.164     2.493   66.786   65.918
LGA    A   298_B      A   298_B     2.465     0    0.086   0.095     3.201   59.167   60.286
LGA    P   299_B      P   299_B     3.081     0    0.049   0.292     4.279   46.905   50.272
LGA    D   300_B      D   300_B     4.714     0    0.114   0.148     6.837   38.810   30.357
LGA    G   301_B      G   301_B     4.167     0    0.034   0.034     4.861   35.714   35.714
LGA    G   302_B      G   302_B     4.472     0    0.106   0.106     4.768   34.286   34.286
LGA    D   303_B      D   303_B     4.422     0    0.104   0.823     5.041   32.857   37.857
LGA    R   304_B      R   304_B     4.990     6    0.027   0.060     5.188   28.810   12.857
LGA    Y   305_B      Y   305_B     5.265     0    0.144   0.280     5.580   25.000   27.103
LGA    L   306_B      L   306_B     4.895     0    0.039   0.228     5.396   27.500   30.893
LGA    S   307_B      S   307_B     6.253     0    0.043   0.061     6.649   17.262   16.587
LGA    T   308_B      T   308_B     6.440     0    0.029   0.221     6.440   17.143   17.143
LGA    E   309_B      E   309_B     6.556     3    0.139   0.192     7.377   15.238    9.365
LGA    L   310_B      L   310_B     5.336     0    0.048   0.935     5.828   25.000   28.988
LGA    F   311_B      F   311_B     5.444     0    0.139   0.292     6.495   21.667   28.961
LGA    N   312_B      N   312_B     7.558     0    0.353   0.892    10.911   12.738    6.667
LGA    Y   313_B      Y   313_B     7.372     0    0.326   1.388    10.203    5.476    7.659

# 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):     4.085          4.057                  4.481           57.722   53.183

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  313  281    4.0    229    2.29    63.612    59.001     9.570

LGA_LOCAL      RMSD:   2.293  Number of atoms:  229  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   4.173  Number of assigned atoms:  281 
Std_ASGN_ATOMS RMSD:   4.085  Standard rmsd on all 281 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.392030 * X  +   0.539702 * Y  +   0.745006 * Z  +  15.732310
  Y_new =   0.912757 * X  +   0.127099 * Y  +   0.388228 * Z  + -22.935467
  Z_new =   0.114838 * X  +   0.832206 * Y  +  -0.542443 * Z  +  23.847950 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.976473 -0.115092  2.148445   [DEG:  113.2436   -6.5943  123.0968 ]
ZXZ:  2.051187  2.144139  0.137126   [DEG:  117.5244  122.8501    7.8567 ]
 
# END of job
