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

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

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

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   281       6_B - 313_B       3.28     3.28
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   123      33_B - 155_B       2.00     3.43
  LCS_AVERAGE:     39.31

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    90      52_B - 141_B       0.98     4.20
  LONGEST_CONTINUOUS_SEGMENT:    90      53_B - 142_B       0.99     4.13
  LCS_AVERAGE:     19.00

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      4    4  281      3   12   23   33   44   55  118  136  150  185  211  237  259  268  272  277  278  279  279  279 
LCS_GDT     H     7_B     H     7_B      4    4  281      3    4    4    6    6    8    9    9   11   14   27  101  115  187  198  235  243  265  268  271 
LCS_GDT     T     8_B     T     8_B      4   13  281      3    4    4    6    6   18   20   23   32   39   50   58  194  206  236  245  258  265  278  279 
LCS_GDT     K     9_B     K     9_B     11   14  281      3    4    9   14   33   73  131  146  186  227  261  268  273  275  276  278  278  279  279  279 
LCS_GDT     I    10_B     I    10_B     11   14  281      6   16   85  114  142  173  208  239  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     T    11_B     T    11_B     11   14  281     10   70   96  129  168  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     N    12_B     N    12_B     11   14  281      5   70   95  129  168  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     S    13_B     S    13_B     11   18  281     31   70  101  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     I    14_B     I    14_B     11   18  281     18   71  101  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     V    15_B     V    15_B     11   28  281     16   64  101  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     N    16_B     N    16_B     11   31  281     13   65  101  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     L    17_B     L    17_B     11   31  281      6   17   94  129  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     I    18_B     I    18_B     13   31  281      4   62  101  119  172  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     G    19_B     G    19_B     13   31  281      3   20  101  119  124  156  208  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     N    20_B     N    20_B     13   31  281      6   74  104  119  124  164  212  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     T    21_B     T    21_B     13   31  281     26   81  104  119  124  182  222  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     P    22_B     P    22_B     13   31  281     45   83  104  119  166  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     I    23_B     I    23_B     13   31  281     46   83  104  129  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     V    24_B     V    24_B     13   31  281     46   83  104  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     K    25_B     K    25_B     13   31  281     46   83  104  132  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     L    26_B     L    26_B     13   31  281     46   83  104  132  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     N    27_B     N    27_B     13   31  281     46   83  104  124  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     R    28_B     R    28_B     13   31  281     46   83  104  119  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     V    29_B     V    29_B     13   31  281     46   83  104  125  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     V    30_B     V    30_B     13   31  281     46   83  104  130  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     P    31_B     P    31_B     13   31  281      3   22   83  104  130  194  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     E    32_B     E    32_B      3   31  281      3   31   64  105  119  131  143  172  244  254  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     D    33_B     D    33_B      3  123  281      3    3   20   30   68  131  170  233  253  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     A    34_B     A    34_B     12  123  281      3   30   70  115  169  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     A    35_B     A    35_B     12  123  281     14   80  104  119  171  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     D    36_B     D    36_B     12  123  281     36   83  104  128  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     V    37_B     V    37_B     12  123  281     36   83  104  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     Y    38_B     Y    38_B     12  123  281     46   83  104  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     V    39_B     V    39_B     12  123  281     46   83  104  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     K    40_B     K    40_B     12  123  281     46   83  104  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     L    41_B     L    41_B     12  123  281     45   83  104  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     E    42_B     E    42_B     12  123  281     33   83  104  131  172  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     F    43_B     F    43_B     12  123  281      7   61  101  119  148  194  227  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     F    44_B     F    44_B     12  123  281      4   28   95  116  125  156  214  241  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     N    45_B     N    45_B     12  123  281      7   77  103  119  125  182  221  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     P    46_B     P    46_B     12  123  281      4    5   25  113  124  133  176  229  251  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     G    47_B     G    47_B      6  123  281      4   10   84  112  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     G    48_B     G    48_B      6  123  281      4    5   40   76  102  164  219  243  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     S    49_B     S    49_B     21  123  281      4   10   57   96  121  194  227  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     I    50_B     I    50_B     29  123  281      4   14   57   96  121  194  227  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     K    51_B     K    51_B     30  123  281      5   13   48  102  116  181  227  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     D    52_B     D    52_B     90  123  281      5   32   91  120  170  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     R    53_B     R    53_B     90  123  281     12   66  101  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     I    54_B     I    54_B     90  123  281     13   32   86  129  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     A    55_B     A    55_B     90  123  281      6   43   91  125  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     L    56_B     L    56_B     90  123  281     17   68  101  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     A    57_B     A    57_B     90  123  281     13   68  101  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     M    58_B     M    58_B     90  123  281     13   68  101  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     I    59_B     I    59_B     90  123  281     17   70  101  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     E    60_B     E    60_B     90  123  281     13   68  101  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     E    61_B     E    61_B     90  123  281     13   68  101  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     A    62_B     A    62_B     90  123  281     20   69  101  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     E    63_B     E    63_B     90  123  281     17   68  101  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     K    64_B     K    64_B     90  123  281     14   59   99  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     A    65_B     A    65_B     90  123  281     14   59   98  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     G    66_B     G    66_B     90  123  281     13   55   99  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     K    67_B     K    67_B     90  123  281     10   52  101  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     L    68_B     L    68_B     90  123  281     19   73  101  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     Q    69_B     Q    69_B     90  123  281      8   68  101  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     A    70_B     A    70_B     90  123  281      3   31   78  134  173  207  227  248  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     G    71_B     G    71_B     90  123  281     48   73  101  134  173  207  229  248  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     G    72_B     G    72_B     90  123  281     48   73  101  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     T    73_B     T    73_B     90  123  281     48   73  101  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     I    74_B     I    74_B     90  123  281     48   73  101  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     V    75_B     V    75_B     90  123  281     48   73  101  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     E    76_B     E    76_B     90  123  281     48   73  101  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     P    77_B     P    77_B     90  123  281     48   73  101  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     T    78_B     T    78_B     90  123  281     48   73  101  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     S    79_B     S    79_B     90  123  281     10   73  101  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     G    80_B     G    80_B     90  123  281     48   73  101  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     N    81_B     N    81_B     90  123  281     22   73  101  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     T    82_B     T    82_B     90  123  281     22   73   97  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     G    83_B     G    83_B     90  123  281     48   73  101  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     V    84_B     V    84_B     90  123  281     48   73  101  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     G    85_B     G    85_B     90  123  281     48   73   97  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     L    86_B     L    86_B     90  123  281     48   73  101  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     A    87_B     A    87_B     90  123  281     48   73  101  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     M    88_B     M    88_B     90  123  281     48   73  101  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     V    89_B     V    89_B     90  123  281     22   73   96  129  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     A    90_B     A    90_B     90  123  281     22   73   96  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     A    91_B     A    91_B     90  123  281     35   73  101  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     A    92_B     A    92_B     90  123  281     22   73   96  129  171  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     K    93_B     K    93_B     90  123  281     12   73   92  127  171  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     G    94_B     G    94_B     90  123  281     22   73   96  129  171  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     Y    95_B     Y    95_B     90  123  281     48   73  101  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     H    96_B     H    96_B     90  123  281     48   73  101  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     L    97_B     L    97_B     90  123  281     48   73  101  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     V    98_B     V    98_B     90  123  281     48   73  101  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     I    99_B     I    99_B     90  123  281     48   73  101  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     T   100_B     T   100_B     90  123  281     48   73  101  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     M   101_B     M   101_B     90  123  281     48   73  101  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     P   102_B     P   102_B     90  123  281     48   73  101  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     E   103_B     E   103_B     90  123  281     48   73  101  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     T   104_B     T   104_B     90  123  281     42   73  101  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     M   105_B     M   105_B     90  123  281      5   68   96  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     S   106_B     S   106_B     90  123  281      3   16   90  131  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     V   107_B     V   107_B     90  123  281      5   38   89  129  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     E   108_B     E   108_B     90  123  281      4   53   87  131  171  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     R   109_B     R   109_B     90  123  281     48   73  101  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     R   110_B     R   110_B     90  123  281     35   73  101  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     K   111_B     K   111_B     90  123  281     48   73  101  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     L   112_B     L   112_B     90  123  281     48   73  101  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     M   113_B     M   113_B     90  123  281     48   73  101  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     Q   114_B     Q   114_B     90  123  281     48   73  101  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     G   115_B     G   115_B     90  123  281     48   73  101  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     Y   116_B     Y   116_B     90  123  281     48   73  101  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     G   117_B     G   117_B     90  123  281     48   73  101  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     A   118_B     A   118_B     90  123  281     48   73  101  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     E   119_B     E   119_B     90  123  281     48   73  101  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     L   120_B     L   120_B     90  123  281     48   73  101  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     I   121_B     I   121_B     90  123  281     48   73  101  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     L   122_B     L   122_B     90  123  281     48   73  101  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     T   123_B     T   123_B     90  123  281     48   73  101  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     P   124_B     P   124_B     90  123  281     36   73  101  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     G   125_B     G   125_B     90  123  281     48   73  101  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     A   126_B     A   126_B     90  123  281     48   73  101  134  173  206  227  248  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     D   127_B     D   127_B     90  123  281     45   73  101  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     G   128_B     G   128_B     90  123  281     43   73  101  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     M   129_B     M   129_B     90  123  281     45   73  101  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     K   130_B     K   130_B     90  123  281     48   73  101  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     G   131_B     G   131_B     90  123  281     48   73  101  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     A   132_B     A   132_B     90  123  281     48   73  101  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     I   133_B     I   133_B     90  123  281     48   73  101  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     A   134_B     A   134_B     90  123  281     48   73  101  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     K   135_B     K   135_B     90  123  281     48   73  101  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     A   136_B     A   136_B     90  123  281     48   73  101  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     E   137_B     E   137_B     90  123  281     48   73  101  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     E   138_B     E   138_B     90  123  281     48   73  101  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     L   139_B     L   139_B     90  123  281     48   73  101  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     V   140_B     V   140_B     90  123  281     48   73  101  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     K   141_B     K   141_B     90  123  281     27   73  101  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     E   142_B     E   142_B     90  123  281      9   53  101  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     K   143_B     K   143_B     89  123  281      6   34   92  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     G   144_B     G   144_B     83  123  281      3   16   72  125  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     Y   145_B     Y   145_B     83  123  281      4   33   98  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     F   146_B     F   146_B     83  123  281     15   73  101  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     M   147_B     M   147_B     83  123  281     35   73  101  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     P   148_B     P   148_B     83  123  281     31   73  101  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     M   149_B     M   149_B     83  123  281      3   17   49  117  167  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     Q   150_B     Q   150_B     80  123  281      3   21   48  118  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     F   151_B     F   151_B      5  123  281      3    8   28   87  150  201  227  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     D   152_B     D   152_B      5  123  281      3    4    6   44   66   85  134  212  253  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     N   153_B     N   153_B      5  123  281      3   64   93  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     P   154_B     P   154_B      5  123  281      5   60   90  131  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     A   155_B     A   155_B      5  123  281      3   21   60   80  112  170  221  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     H   160_B     H   160_B      9  121  281      6   10   11   13   16   20   26   37   83   96  180  234  259  275  277  278  278  279  279  279 
LCS_GDT     E   161_B     E   161_B      9  118  281      6   10   13   24   41   60   93  131  210  244  262  271  273  275  277  278  278  279  279  279 
LCS_GDT     E   162_B     E   162_B      9  116  281      6   10   11   15   49   86  131  206  241  261  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     T   163_B     T   163_B      9  116  281      6   10   13   28   60  100  150  210  236  253  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     T   164_B     T   164_B      9  118  281      6   10   11   16   29   80  150  219  240  259  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     G   165_B     G   165_B      9  120  281      7   30   72  126  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     K   166_B     K   166_B      9  120  281      9   39   86  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     E   167_B     E   167_B      9  120  281      6   22   63  111  161  206  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     I   168_B     I   168_B      9  120  281      6   13   36   61  156  206  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     L   169_B     L   169_B      8  120  281      6    8   54   90  145  206  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     E   170_B     E   170_B      8  120  281      6    7   78  102  122  133  152  220  252  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     A   171_B     A   171_B      8  120  281     12   63   96  116  124  134  152  200  238  262  266  270  273  275  277  278  278  279  279  279 
LCS_GDT     F   172_B     F   172_B      8  120  281     42   83  104  119  138  196  225  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     G   173_B     G   173_B      8  120  281      6    7    9   42   60   74   91  163  196  223  260  266  272  274  277  278  278  279  279  279 
LCS_GDT     D   174_B     D   174_B      4  120  281     33   81  104  119  127  189  223  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     D   175_B     D   175_B      9  120  281      3   20   79  116  124  148  211  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     I   176_B     I   176_B     13  120  281      4   22   79   98  118  132  145  187  237  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     P   177_B     P   177_B     36  120  281      9   61  103  119  169  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     D   178_B     D   178_B     36  120  281     11   56  103  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     A   179_B     A   179_B     36  120  281     20   61  104  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     F   180_B     F   180_B     36  120  281     46   83  104  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     V   181_B     V   181_B     36  120  281     46   83  104  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     A   182_B     A   182_B     36  120  281     34   83  104  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     G   183_B     G   183_B     36  120  281     35   83  104  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     V   184_B     V   184_B     36  120  281     25   83  104  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     G   185_B     G   185_B     36  120  281     17   49   95  119  146  192  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     T   186_B     T   186_B     36  120  281      4   12   54   80  121  133  164  216  251  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     G   187_B     G   187_B     36  120  281      6   38   98  119  148  199  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     G   188_B     G   188_B     36  120  281      6   23   54   87  121  143  190  242  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     T   189_B     T   189_B     36  120  281      4   19   43   84  131  166  221  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     L   190_B     L   190_B     36  120  281     19   74  104  131  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     T   191_B     T   191_B     36  120  281     19   73  104  131  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     G   192_B     G   192_B     36  120  281     19   77  104  119  147  206  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     V   193_B     V   193_B     36  120  281     19   81  104  119  171  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     G   194_B     G   194_B     36  120  281     21   83  104  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     H   195_B     H   195_B     36  120  281     23   81  104  132  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     A   196_B     A   196_B     36  120  281     23   83  104  119  157  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     L   197_B     L   197_B     36  120  281     23   83  104  119  172  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     K   198_B     K   198_B     36  120  281     23   81  104  131  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     K   199_B     K   199_B     36  120  281     23   76  104  124  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     A   200_B     A   200_B     36  120  281     23   73  104  119  172  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     N   201_B     N   201_B     36  120  281     20   61  103  119  172  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     P   202_B     P   202_B     36  120  281     23   76  104  132  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     N   203_B     N   203_B     36  120  281     23   77  104  132  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     V   204_B     V   204_B     36  120  281     23   81  104  132  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     Q   205_B     Q   205_B     36  120  281     29   83  104  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     I   206_B     I   206_B     36  120  281     45   83  104  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     Y   207_B     Y   207_B     36  120  281     46   83  104  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     A   208_B     A   208_B     36  120  281     46   83  104  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     L   209_B     L   209_B     36  120  281     46   83  104  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     E   210_B     E   210_B     36  120  281     46   83  104  129  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     P   211_B     P   211_B     36  120  281     18   83  104  119  155  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     A   212_B     A   212_B     36  120  281     21   81  104  119  149  199  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     P   236_B     P   236_B      5  120  281      2    4   51  105  141  173  210  241  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     K   237_B     K   237_B      5  120  281     26   73   96  131  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     V   238_B     V   238_B      5  120  281      3    5    5   38   82  159  209  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     L   239_B     L   239_B     51  120  281     12   72  104  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     D   240_B     D   240_B     51  120  281     13   68   96  131  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     T   241_B     T   241_B     63  120  281      3   52   95  119  155  199  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     D   242_B     D   242_B     63  120  281     39   83  104  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     V   243_B     V   243_B     63  120  281     38   83  104  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     Y   244_B     Y   244_B     63  120  281     38   83  104  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     N   245_B     N   245_B     63  120  281     19   83  104  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     G   246_B     G   246_B     63  120  281     12   50  104  130  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     I   247_B     I   247_B     63  120  281     36   83  104  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     L   248_B     L   248_B     63  120  281     46   83  104  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     E   249_B     E   249_B     63  120  281     46   83  104  127  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     I   250_B     I   250_B     63  120  281     46   83  104  119  165  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     K   251_B     K   251_B     63  120  281     46   83  104  119  130  189  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     S   252_B     S   252_B     63  120  281     46   83  104  119  130  181  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     D   253_B     D   253_B     63  120  281     46   83  104  119  130  181  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     D   254_B     D   254_B     63  120  281     46   83  104  119  149  206  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     A   255_B     A   255_B     63  120  281     46   83  104  119  154  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     I   256_B     I   256_B     63  120  281     27   81  104  119  130  170  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     T   257_B     T   257_B     63  120  281     46   83  104  119  130  188  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     M   258_B     M   258_B     63  120  281     42   83  104  119  172  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     A   259_B     A   259_B     63  120  281     46   83  104  119  172  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     R   260_B     R   260_B     63  120  281     22   83  104  119  147  206  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     E   261_B     E   261_B     63  120  281     36   83  104  119  171  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     V   262_B     V   262_B     63  120  281     46   83  104  129  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     G   263_B     G   263_B     63  120  281     46   83  104  130  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     H   264_B     H   264_B     63  120  281     46   83  104  119  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     Q   265_B     Q   265_B     63  120  281     46   83  104  125  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     E   266_B     E   266_B     63  120  281     46   83  104  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     G   267_B     G   267_B     63  120  281     46   83  104  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     I   268_B     I   268_B     63  120  281     46   83  104  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     L   269_B     L   269_B     63  120  281     45   83  104  129  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     V   270_B     V   270_B     63  120  281     10   83  104  126  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     G   271_B     G   271_B     63  120  281     46   83  104  119  158  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     I   272_B     I   272_B     63  120  281     46   83  104  119  152  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     S   273_B     S   273_B     63  120  281     46   83  104  120  168  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     A   274_B     A   274_B     63  120  281     46   83  104  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     G   275_B     G   275_B     63  120  281     46   83  104  132  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     A   276_B     A   276_B     63  120  281     46   83  104  129  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     N   277_B     N   277_B     63  120  281     46   83  104  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     I   278_B     I   278_B     63  120  281     46   83  104  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     K   279_B     K   279_B     63  120  281     46   83  104  132  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     G   280_B     G   280_B     63  120  281     46   83  104  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     A   281_B     A   281_B     63  120  281     46   83  104  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     I   282_B     I   282_B     63  120  281     46   83  104  130  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     E   283_B     E   283_B     63  120  281     26   83  104  128  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     V   284_B     V   284_B     63  120  281     26   83  104  128  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     A   285_B     A   285_B     63  120  281     26   83  104  119  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     K   286_B     K   286_B     63  120  281     26   83  104  119  160  206  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     K   287_B     K   287_B     63  120  281     23   80  104  119  172  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     L   288_B     L   288_B     63  120  281     23   70  100  119  146  206  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     G   289_B     G   289_B     63  120  281      3    4   39  112  124  172  222  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     K   290_B     K   290_B     63  120  281     19   37   63   97  124  178  221  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     G   291_B     G   291_B     63  120  281     11   83  104  119  126  171  222  249  256  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     K   292_B     K   292_B     63  120  281     44   83  104  119  169  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     Q   293_B     Q   293_B     63  120  281     36   83  104  128  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     V   294_B     V   294_B     63  120  281     46   83  104  132  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     I   295_B     I   295_B     63  120  281     46   83  104  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     T   296_B     T   296_B     63  120  281     46   83  104  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     V   297_B     V   297_B     63  120  281     46   83  104  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     A   298_B     A   298_B     63  120  281     42   83  104  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     P   299_B     P   299_B     63  120  281     36   83  104  129  167  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     D   300_B     D   300_B     63  120  281      6   69  101  119  127  165  202  247  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     G   301_B     G   301_B     63  120  281      3   72  101  119  129  169  216  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     G   302_B     G   302_B     63  120  281     25   75  101  119  124  148  217  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     D   303_B     D   303_B     63  120  281      4   45   96  116  128  183  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     R   304_B     R   304_B      5  120  281      4   34  101  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     Y   305_B     Y   305_B      5  120  281     11   48  101  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     L   306_B     L   306_B      5  120  281     11   34   98  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     S   307_B     S   307_B      5  120  281     14   54  101  134  173  207  229  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     T   308_B     T   308_B      5  119  281      3    5   13   86  141  200  223  249  257  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     E   309_B     E   309_B      5  113  281      4   14   42   64   99  120  176  220  251  262  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     L   310_B     L   310_B      5    6  281      4    5    5   13   41   59   74   94  120  203  241  262  272  275  277  278  278  279  279  279 
LCS_GDT     F   311_B     F   311_B      5    6  281      4    5   12   37   58   81  101  125  179  226  251  264  272  275  277  278  278  279  279  279 
LCS_GDT     N   312_B     N   312_B      5    6  281      4    6   12   48   66  107  146  189  232  256  267  271  273  275  277  278  278  279  279  279 
LCS_GDT     Y   313_B     Y   313_B      3    6  281      0    3    3    5    8   23   37   85  127  203  248  262  272  275  277  278  278  279  279  279 
LCS_AVERAGE  LCS_A:  52.77  (  19.00   39.31  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     48     83    104    134    173    207    229    249    257    262    267    271    273    275    277    278    278    279    279    279 
GDT PERCENT_AT  17.08  29.54  37.01  47.69  61.57  73.67  81.49  88.61  91.46  93.24  95.02  96.44  97.15  97.86  98.58  98.93  98.93  99.29  99.29  99.29
GDT RMS_LOCAL    0.32   0.57   0.80   1.31   1.64   1.91   2.13   2.36   2.43   2.52   2.62   2.72   2.78   2.89   2.97   3.00   3.00   3.06   3.06   3.06
GDT RMS_ALL_AT   4.59   6.28   5.94   3.50   3.39   3.35   3.33   3.32   3.31   3.31   3.30   3.30   3.30   3.29   3.30   3.29   3.29   3.29   3.29   3.29

# Checking swapping
#   possible swapping detected:  Y    38_B      Y    38_B
#   possible swapping detected:  E    42_B      E    42_B
#   possible swapping detected:  E    60_B      E    60_B
#   possible swapping detected:  E    61_B      E    61_B
#   possible swapping detected:  E    76_B      E    76_B
#   possible swapping detected:  Y    95_B      Y    95_B
#   possible swapping detected:  E   103_B      E   103_B
#   possible swapping detected:  E   138_B      E   138_B
#   possible swapping detected:  Y   145_B      Y   145_B
#   possible swapping detected:  F   146_B      F   146_B
#   possible swapping detected:  E   161_B      E   161_B
#   possible swapping detected:  E   170_B      E   170_B
#   possible swapping detected:  F   172_B      F   172_B
#   possible swapping detected:  D   175_B      D   175_B
#   possible swapping detected:  F   180_B      F   180_B
#   possible swapping detected:  E   210_B      E   210_B
#   possible swapping detected:  D   240_B      D   240_B
#   possible swapping detected:  D   242_B      D   242_B
#   possible swapping detected:  Y   244_B      Y   244_B
#   possible swapping detected:  D   253_B      D   253_B
#   possible swapping detected:  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

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    H     6_B      H     6_B    10.696     0    0.588   1.503    12.008    0.000    2.810
LGA    H     7_B      H     7_B    15.731     0    0.102   1.144    23.666    0.000    0.000
LGA    T     8_B      T     8_B    14.101     0    0.645   0.540    16.918    0.000    0.000
LGA    K     9_B      K     9_B     8.054     4    0.559   0.559    10.349    8.810    4.709
LGA    I    10_B      I    10_B     5.025     0    0.027   0.604     6.976   24.048   24.881
LGA    T    11_B      T    11_B     3.255     0    0.091   0.191     3.651   48.333   52.109
LGA    N    12_B      N    12_B     3.237     0    0.033   1.135     6.307   53.571   45.238
LGA    S    13_B      S    13_B     2.309     0    0.057   0.106     2.562   62.857   64.841
LGA    I    14_B      I    14_B     1.840     0    0.061   1.269     5.329   72.976   64.821
LGA    V    15_B      V    15_B     0.664     0    0.083   0.220     1.142   83.690   87.959
LGA    N    16_B      N    16_B     1.657     0    0.036   0.101     2.424   70.952   69.881
LGA    L    17_B      L    17_B     2.361     0    0.049   0.166     2.720   62.857   61.905
LGA    I    18_B      I    18_B     2.556     0    0.057   0.093     3.420   55.476   62.262
LGA    G    19_B      G    19_B     4.344     0    0.674   0.674     4.781   37.262   37.262
LGA    N    20_B      N    20_B     4.353     0    0.052   0.172     4.659   37.262   37.262
LGA    T    21_B      T    21_B     3.903     0    0.065   0.142     4.411   41.786   39.796
LGA    P    22_B      P    22_B     2.888     0    0.029   0.058     3.185   55.357   55.102
LGA    I    23_B      I    23_B     2.324     0    0.138   1.168     6.701   66.905   53.155
LGA    V    24_B      V    24_B     1.700     0    0.077   0.086     1.817   75.000   74.082
LGA    K    25_B      K    25_B     1.689     0    0.033   0.169     3.433   75.000   64.392
LGA    L    26_B      L    26_B     1.370     0    0.024   0.109     1.927   77.143   79.286
LGA    N    27_B      N    27_B     2.347     0    0.095   0.251     3.242   61.190   62.976
LGA    R    28_B      R    28_B     2.530     0    0.132   1.611    10.167   57.262   32.814
LGA    V    29_B      V    29_B     2.168     0    0.024   0.035     2.168   64.762   68.299
LGA    V    30_B      V    30_B     1.938     0    0.550   0.929     3.146   68.810   67.279
LGA    P    31_B      P    31_B     3.882     0    0.034   0.404     6.828   33.214   28.980
LGA    E    32_B      E    32_B     6.648     4    0.176   0.175     8.539   15.714    7.302
LGA    D    33_B      D    33_B     5.606     0    0.645   0.952     9.005   30.595   18.929
LGA    A    34_B      A    34_B     2.953     0    0.616   0.587     4.696   55.357   50.571
LGA    A    35_B      A    35_B     2.944     0    0.048   0.066     3.139   55.357   54.286
LGA    D    36_B      D    36_B     2.070     0    0.060   0.182     3.204   68.810   63.988
LGA    V    37_B      V    37_B     1.322     0    0.025   0.061     1.594   79.286   80.204
LGA    Y    38_B      Y    38_B     1.523     0    0.013   0.097     2.985   79.286   68.373
LGA    V    39_B      V    39_B     1.398     0    0.043   0.977     2.981   77.143   73.129
LGA    K    40_B      K    40_B     2.031     0    0.053   0.196     4.110   68.810   58.624
LGA    L    41_B      L    41_B     2.288     0    0.127   0.118     3.416   59.167   65.000
LGA    E    42_B      E    42_B     2.544     0    0.209   0.913     5.973   60.952   51.481
LGA    F    43_B      F    43_B     3.843     0    0.093   0.912     6.458   40.476   32.294
LGA    F    44_B      F    44_B     4.878     0    0.484   1.059     7.514   24.286   33.333
LGA    N    45_B      N    45_B     4.141     0    0.133   1.121     4.975   38.690   40.357
LGA    P    46_B      P    46_B     5.710     0    0.072   0.224     7.808   26.548   20.544
LGA    G    47_B      G    47_B     2.799     0    0.175   0.175     5.908   46.667   46.667
LGA    G    48_B      G    48_B     4.195     0    0.059   0.059     5.539   36.429   36.429
LGA    S    49_B      S    49_B     3.761     0    0.034   0.275     3.979   43.333   44.444
LGA    I    50_B      I    50_B     3.751     0    0.172   1.182     6.086   45.000   43.571
LGA    K    51_B      K    51_B     3.863     2    0.109   0.809     4.499   46.667   35.344
LGA    D    52_B      D    52_B     2.841     0    0.024   0.253     4.508   59.167   50.714
LGA    R    53_B      R    53_B     0.762     0    0.067   0.996     7.346   83.690   54.632
LGA    I    54_B      I    54_B     2.332     0    0.028   0.134     3.696   66.786   59.345
LGA    A    55_B      A    55_B     2.547     0    0.029   0.047     2.897   62.857   61.714
LGA    L    56_B      L    56_B     1.457     0    0.034   0.121     1.818   79.286   84.881
LGA    A    57_B      A    57_B     1.565     0    0.046   0.048     1.695   72.857   72.857
LGA    M    58_B      M    58_B     1.754     0    0.051   0.277     2.531   72.857   67.857
LGA    I    59_B      I    59_B     1.613     0    0.024   0.137     2.055   75.000   72.917
LGA    E    60_B      E    60_B     1.675     0    0.020   0.900     2.368   75.000   75.767
LGA    E    61_B      E    61_B     1.419     0    0.060   0.812     3.021   81.429   69.735
LGA    A    62_B      A    62_B     1.002     0    0.025   0.036     1.127   81.429   81.429
LGA    E    63_B      E    63_B     1.265     0    0.062   0.309     2.394   81.429   74.921
LGA    K    64_B      K    64_B     1.411     4    0.082   0.089     1.476   81.429   45.238
LGA    A    65_B      A    65_B     0.942     0    0.054   0.078     1.109   88.214   86.857
LGA    G    66_B      G    66_B     0.725     0    0.241   0.241     1.053   88.214   88.214
LGA    K    67_B      K    67_B     1.009     4    0.068   0.108     1.653   79.286   44.286
LGA    L    68_B      L    68_B     1.393     0    0.101   1.422     4.901   77.143   66.964
LGA    Q    69_B      Q    69_B     2.167     4    0.130   0.216     2.520   66.786   36.032
LGA    A    70_B      A    70_B     2.989     0    0.098   0.125     3.479   60.952   58.762
LGA    G    71_B      G    71_B     2.894     0    0.049   0.049     3.008   55.357   55.357
LGA    G    72_B      G    72_B     2.796     0    0.050   0.050     2.820   57.143   57.143
LGA    T    73_B      T    73_B     2.426     0    0.050   0.104     3.133   64.881   61.633
LGA    I    74_B      I    74_B     1.540     0    0.036   0.115     1.885   77.143   77.143
LGA    V    75_B      V    75_B     1.218     0    0.079   0.983     3.428   85.952   79.524
LGA    E    76_B      E    76_B     0.783     0    0.100   0.172     0.849   90.476   92.593
LGA    P    77_B      P    77_B     0.836     0    0.061   0.110     1.162   90.476   87.891
LGA    T    78_B      T    78_B     0.525     0    0.064   0.200     1.488   88.214   87.891
LGA    S    79_B      S    79_B     1.121     0    0.064   0.105     1.807   85.952   83.016
LGA    G    80_B      G    80_B     0.940     0    0.490   0.490     3.050   75.833   75.833
LGA    N    81_B      N    81_B     1.337     3    0.232   0.228     1.789   79.286   48.750
LGA    T    82_B      T    82_B     1.513     0    0.032   0.208     2.254   77.143   74.150
LGA    G    83_B      G    83_B     0.742     0    0.056   0.056     0.875   90.476   90.476
LGA    V    84_B      V    84_B     0.883     0    0.022   0.148     1.383   85.952   84.014
LGA    G    85_B      G    85_B     1.697     0    0.054   0.054     1.884   75.000   75.000
LGA    L    86_B      L    86_B     1.489     0    0.030   1.370     2.745   79.286   76.369
LGA    A    87_B      A    87_B     1.155     0    0.025   0.030     1.484   81.429   83.238
LGA    M    88_B      M    88_B     1.708     0    0.076   0.799     3.066   75.000   70.060
LGA    V    89_B      V    89_B     2.351     0    0.047   0.140     2.644   62.857   61.497
LGA    A    90_B      A    90_B     2.174     0    0.058   0.057     2.722   62.857   64.857
LGA    A    91_B      A    91_B     1.837     0    0.035   0.037     2.490   68.810   71.333
LGA    A    92_B      A    92_B     2.760     0    0.086   0.080     3.081   57.262   57.238
LGA    K    93_B      K    93_B     3.015     0    0.056   0.782     3.371   51.786   58.201
LGA    G    94_B      G    94_B     3.011     0    0.162   0.162     3.011   55.357   55.357
LGA    Y    95_B      Y    95_B     2.222     0    0.019   0.169     2.496   64.762   64.762
LGA    H    96_B      H    96_B     2.200     0    0.052   0.986     3.637   66.786   59.667
LGA    L    97_B      L    97_B     1.354     0    0.020   0.238     1.650   79.286   84.940
LGA    V    98_B      V    98_B     1.262     0    0.030   0.110     1.501   81.429   80.204
LGA    I    99_B      I    99_B     0.839     0    0.023   0.075     1.268   83.690   89.464
LGA    T   100_B      T   100_B     1.330     0    0.021   0.091     1.738   81.429   77.755
LGA    M   101_B      M   101_B     1.420     0    0.052   0.556     1.554   77.143   80.417
LGA    P   102_B      P   102_B     1.700     0    0.036   0.261     1.851   75.000   75.306
LGA    E   103_B      E   103_B     1.800     0    0.038   0.201     2.933   72.857   67.513
LGA    T   104_B      T   104_B     2.102     0    0.055   0.068     2.895   68.810   63.810
LGA    M   105_B      M   105_B     1.941     0    0.058   0.273     3.999   65.119   57.619
LGA    S   106_B      S   106_B     2.542     0    0.317   0.765     5.795   64.881   54.048
LGA    V   107_B      V   107_B     2.442     0    0.614   0.665     3.722   57.500   54.286
LGA    E   108_B      E   108_B     2.701     0    0.035   1.127     4.343   65.000   53.757
LGA    R   109_B      R   109_B     1.031     4    0.049   0.609     1.547   83.810   54.329
LGA    R   110_B      R   110_B     0.769     0    0.099   1.095     2.438   90.476   80.173
LGA    K   111_B      K   111_B     0.801     0    0.036   0.799     5.158   90.476   66.190
LGA    L   112_B      L   112_B     0.529     0    0.068   0.177     1.023   97.619   92.917
LGA    M   113_B      M   113_B     0.337     0    0.023   0.417     1.032  100.000   96.488
LGA    Q   114_B      Q   114_B     0.391     0    0.024   0.284     1.295  100.000   93.757
LGA    G   115_B      G   115_B     0.496     0    0.035   0.035     0.686   95.238   95.238
LGA    Y   116_B      Y   116_B     0.838     0    0.046   0.077     1.491   88.214   85.952
LGA    G   117_B      G   117_B     0.968     0    0.070   0.070     1.372   85.952   85.952
LGA    A   118_B      A   118_B     0.736     0    0.076   0.094     1.062   88.214   90.571
LGA    E   119_B      E   119_B     1.196     0    0.041   0.623     1.587   81.429   83.492
LGA    L   120_B      L   120_B     1.123     0    0.031   0.315     1.933   77.143   81.607
LGA    I   121_B      I   121_B     1.694     1    0.027   0.093     2.017   72.857   62.738
LGA    L   122_B      L   122_B     1.888     0    0.023   0.129     2.204   68.810   70.893
LGA    T   123_B      T   123_B     2.114     0    0.036   0.076     2.295   64.762   64.762
LGA    P   124_B      P   124_B     2.223     0    0.040   0.149     2.562   64.762   63.673
LGA    G   125_B      G   125_B     2.195     0    0.099   0.099     2.743   60.952   60.952
LGA    A   126_B      A   126_B     3.108     0    0.028   0.040     3.436   55.357   54.286
LGA    D   127_B      D   127_B     2.402     0    0.109   0.276     3.846   66.905   60.357
LGA    G   128_B      G   128_B     1.993     0    0.054   0.054     2.137   66.786   66.786
LGA    M   129_B      M   129_B     1.855     0    0.018   0.578     3.243   72.857   67.024
LGA    K   130_B      K   130_B     2.058     4    0.018   0.067     2.140   64.762   35.979
LGA    G   131_B      G   131_B     2.340     0    0.045   0.045     2.340   64.762   64.762
LGA    A   132_B      A   132_B     1.725     0    0.025   0.031     1.955   72.857   74.571
LGA    I   133_B      I   133_B     1.567     0    0.047   0.099     1.853   72.857   75.000
LGA    A   134_B      A   134_B     2.196     0    0.034   0.047     2.405   64.762   64.762
LGA    K   135_B      K   135_B     2.411     0    0.020   0.584     3.076   64.762   64.974
LGA    A   136_B      A   136_B     1.969     0    0.050   0.047     2.107   66.786   68.000
LGA    E   137_B      E   137_B     2.083     2    0.199   0.279     3.208   59.167   52.487
LGA    E   138_B      E   138_B     2.605     0    0.082   0.866     5.253   59.048   48.889
LGA    L   139_B      L   139_B     2.514     0    0.075   0.172     2.865   59.048   60.000
LGA    V   140_B      V   140_B     2.393     0    0.221   1.181     4.803   62.857   58.912
LGA    K   141_B      K   141_B     1.921     4    0.263   0.256     2.466   68.810   37.778
LGA    E   142_B      E   142_B     0.691     4    0.280   0.268     1.502   86.071   48.307
LGA    K   143_B      K   143_B     0.636     4    0.674   0.634     2.768   84.524   47.619
LGA    G   144_B      G   144_B     2.036     0    0.345   0.345     2.425   68.929   68.929
LGA    Y   145_B      Y   145_B     1.241     0    0.049   1.450     9.662   81.429   46.349
LGA    F   146_B      F   146_B     1.548     0    0.084   0.313     2.290   79.286   72.251
LGA    M   147_B      M   147_B     0.918     0    0.024   0.858     2.373   88.214   83.869
LGA    P   148_B      P   148_B     0.792     0    0.605   0.731     2.127   84.048   84.218
LGA    M   149_B      M   149_B     2.996     3    0.281   0.329     3.630   62.976   36.905
LGA    Q   150_B      Q   150_B     2.679     4    0.645   0.623     4.646   57.262   28.942
LGA    F   151_B      F   151_B     3.578     0    0.144   1.365    12.409   40.952   19.351
LGA    D   152_B      D   152_B     5.406     3    0.077   0.085     6.503   29.048   16.190
LGA    N   153_B      N   153_B     1.937     3    0.186   0.196     2.841   66.905   42.560
LGA    P   154_B      P   154_B     2.317     0    0.170   0.369     3.597   61.667   67.687
LGA    A   155_B      A   155_B     3.959     0    0.524   0.526     5.158   39.524   39.048
LGA    H   160_B      H   160_B     9.140     5    0.698   0.657    11.305    5.119    2.048
LGA    E   161_B      E   161_B     7.020     0    0.095   0.759     8.127   14.524   22.698
LGA    E   162_B      E   162_B     5.803     0    0.117   0.851     6.492   25.476   22.328
LGA    T   163_B      T   163_B     5.943     0    0.035   0.903     8.929   24.048   16.599
LGA    T   164_B      T   164_B     5.687     0    0.076   1.198     7.179   29.286   23.810
LGA    G   165_B      G   165_B     2.213     0    0.138   0.138     3.553   65.595   65.595
LGA    K   166_B      K   166_B     1.306     4    0.199   0.206     1.936   81.548   44.339
LGA    E   167_B      E   167_B     3.269     0    0.086   0.803     3.907   50.119   48.571
LGA    I   168_B      I   168_B     3.294     0    0.024   0.092     5.512   51.786   43.333
LGA    L   169_B      L   169_B     3.214     0    0.025   1.088     4.030   46.905   46.845
LGA    E   170_B      E   170_B     5.487     0    0.053   0.169     9.559   24.524   15.450
LGA    A   171_B      A   171_B     5.853     0    0.066   0.083     6.279   22.738   22.476
LGA    F   172_B      F   172_B     3.616     0    0.200   1.208     5.604   37.381   38.182
LGA    G   173_B      G   173_B     7.402     0    0.256   0.256     7.402   15.476   15.476
LGA    D   174_B      D   174_B     3.989     0    0.035   0.314     4.646   38.810   44.583
LGA    D   175_B      D   175_B     4.391     0    0.219   0.382     5.896   35.833   31.071
LGA    I   176_B      I   176_B     5.492     0    0.090   0.594     9.421   28.810   19.167
LGA    P   177_B      P   177_B     2.856     0    0.052   0.171     4.194   55.595   52.381
LGA    D   178_B      D   178_B     1.579     0    0.086   0.129     2.076   72.857   71.845
LGA    A   179_B      A   179_B     1.586     0    0.048   0.055     1.705   75.000   74.571
LGA    F   180_B      F   180_B     1.509     0    0.030   0.143     2.056   77.143   72.944
LGA    V   181_B      V   181_B     1.192     0    0.093   0.247     1.797   79.286   82.789
LGA    A   182_B      A   182_B     1.428     0    0.058   0.054     1.538   81.429   79.714
LGA    G   183_B      G   183_B     1.764     0    0.123   0.123     1.853   72.857   72.857
LGA    V   184_B      V   184_B     2.213     0    0.066   1.079     3.534   59.167   58.571
LGA    G   185_B      G   185_B     3.399     0    0.056   0.056     4.169   46.905   46.905
LGA    T   186_B      T   186_B     5.245     0    0.114   0.122     6.747   27.738   23.265
LGA    G   187_B      G   187_B     3.387     0    0.118   0.118     3.890   48.333   48.333
LGA    G   188_B      G   188_B     4.567     0    0.156   0.156     4.567   35.714   35.714
LGA    T   189_B      T   189_B     3.975     0    0.031   0.152     4.719   43.452   39.932
LGA    L   190_B      L   190_B     2.418     0    0.048   1.329     3.050   64.881   66.071
LGA    T   191_B      T   191_B     2.246     0    0.028   1.054     4.685   64.762   60.068
LGA    G   192_B      G   192_B     3.139     0    0.082   0.082     3.139   53.571   53.571
LGA    V   193_B      V   193_B     2.769     0    0.045   0.097     3.143   59.048   57.211
LGA    G   194_B      G   194_B     1.765     0    0.029   0.029     2.098   70.833   70.833
LGA    H   195_B      H   195_B     1.886     0    0.027   0.495     2.207   68.810   69.619
LGA    A   196_B      A   196_B     2.998     0    0.165   0.172     3.474   57.143   55.714
LGA    L   197_B      L   197_B     2.632     0    0.051   0.187     3.632   59.048   56.369
LGA    K   198_B      K   198_B     2.137     0    0.068   0.727     3.118   64.762   67.884
LGA    K   199_B      K   199_B     2.383     2    0.173   0.211     2.383   64.762   50.370
LGA    A   200_B      A   200_B     2.660     0    0.026   0.050     2.802   59.048   58.667
LGA    N   201_B      N   201_B     2.641     0    0.025   0.122     3.632   60.952   56.429
LGA    P   202_B      P   202_B     1.795     0    0.059   0.093     2.131   70.833   69.388
LGA    N   203_B      N   203_B     1.826     0    0.032   1.126     3.244   72.857   68.036
LGA    V   204_B      V   204_B     1.818     0    0.064   0.926     3.912   75.000   66.463
LGA    Q   205_B      Q   205_B     1.497     0    0.033   0.349     1.951   75.000   76.667
LGA    I   206_B      I   206_B     1.489     0    0.043   0.136     1.872   81.429   78.214
LGA    Y   207_B      Y   207_B     1.253     0    0.051   0.078     1.561   79.286   85.238
LGA    A   208_B      A   208_B     1.454     0    0.096   0.117     1.634   81.429   79.714
LGA    L   209_B      L   209_B     1.518     0    0.040   0.999     3.597   72.976   67.321
LGA    E   210_B      E   210_B     2.210     0    0.062   0.510     2.341   66.786   71.217
LGA    P   211_B      P   211_B     2.835     0    0.036   0.297     3.232   57.143   56.122
LGA    A   212_B      A   212_B     3.313     0    0.445   0.538     4.296   48.571   48.857
LGA    P   236_B      P   236_B     5.018     0    0.418   0.815     5.212   37.738   33.537
LGA    K   237_B      K   237_B     2.910     0    0.328   0.910     9.737   47.143   38.360
LGA    V   238_B      V   238_B     4.242     0    0.251   1.211     8.879   52.262   32.109
LGA    L   239_B      L   239_B     1.360     0    0.037   0.977     7.071   60.119   41.071
LGA    D   240_B      D   240_B     2.388     0    0.322   1.083     5.117   77.262   53.036
LGA    T   241_B      T   241_B     3.378     0    0.706   1.367     7.590   65.238   42.177
LGA    D   242_B      D   242_B     2.029     0    0.152   0.278     2.667   68.810   63.929
LGA    V   243_B      V   243_B     1.863     0    0.094   0.278     2.011   70.833   72.925
LGA    Y   244_B      Y   244_B     1.075     0    0.060   0.249     3.789   85.952   69.603
LGA    N   245_B      N   245_B     0.898     0    0.117   0.505     2.206   81.786   76.369
LGA    G   246_B      G   246_B     2.057     0    0.078   0.078     2.057   79.524   79.524
LGA    I   247_B      I   247_B     1.786     0    0.023   0.083     3.044   70.833   65.952
LGA    L   248_B      L   248_B     1.546     0    0.049   0.123     1.652   75.000   78.274
LGA    E   249_B      E   249_B     2.093     0    0.070   0.266     2.307   66.786   70.159
LGA    I   250_B      I   250_B     2.683     0    0.029   0.108     3.067   55.357   59.107
LGA    K   251_B      K   251_B     3.667     2    0.055   0.134     4.516   45.000   32.434
LGA    S   252_B      S   252_B     3.865     0    0.099   0.607     4.948   43.333   40.317
LGA    D   253_B      D   253_B     3.974     0    0.067   0.994     6.831   41.786   32.024
LGA    D   254_B      D   254_B     3.162     0    0.038   0.716     4.857   53.571   49.524
LGA    A   255_B      A   255_B     2.889     0    0.049   0.066     3.282   53.571   52.857
LGA    I   256_B      I   256_B     3.886     0    0.188   0.320     4.738   43.333   38.810
LGA    T   257_B      T   257_B     3.770     0    0.054   0.072     4.023   45.000   43.401
LGA    M   258_B      M   258_B     2.614     0    0.021   0.850     3.435   57.143   59.107
LGA    A   259_B      A   259_B     2.533     0    0.096   0.091     2.854   57.143   57.143
LGA    R   260_B      R   260_B     3.286     0    0.016   1.251     9.105   50.000   32.597
LGA    E   261_B      E   261_B     2.952     0    0.039   0.160     3.689   57.262   51.799
LGA    V   262_B      V   262_B     1.991     0    0.018   0.065     2.376   70.833   69.388
LGA    G   263_B      G   263_B     1.961     0    0.074   0.074     2.072   70.833   70.833
LGA    H   264_B      H   264_B     2.517     0    0.096   0.813     3.533   62.857   57.333
LGA    Q   265_B      Q   265_B     2.223     0    0.046   1.336     5.662   68.810   58.466
LGA    E   266_B      E   266_B     1.254     0    0.063   0.136     1.556   79.286   80.476
LGA    G   267_B      G   267_B     1.217     0    0.108   0.108     1.366   81.429   81.429
LGA    I   268_B      I   268_B     1.099     0    0.056   0.331     1.689   79.286   79.286
LGA    L   269_B      L   269_B     2.136     0    0.055   0.131     3.558   64.881   57.619
LGA    V   270_B      V   270_B     2.415     0    0.052   0.166     2.879   60.952   59.320
LGA    G   271_B      G   271_B     2.851     0    0.048   0.048     2.851   57.143   57.143
LGA    I   272_B      I   272_B     2.927     0    0.044   0.158     4.333   57.143   51.131
LGA    S   273_B      S   273_B     2.729     0    0.042   0.088     3.111   60.952   57.302
LGA    A   274_B      A   274_B     1.646     0    0.023   0.057     2.012   75.119   74.667
LGA    G   275_B      G   275_B     1.879     0    0.041   0.041     1.879   72.857   72.857
LGA    A   276_B      A   276_B     2.035     0    0.041   0.050     2.389   68.810   68.000
LGA    N   277_B      N   277_B     1.266     0    0.019   0.159     1.932   81.548   78.274
LGA    I   278_B      I   278_B     0.934     0    0.042   0.106     1.331   85.952   85.952
LGA    K   279_B      K   279_B     1.811     0    0.048   0.192     3.209   72.857   63.386
LGA    G   280_B      G   280_B     1.191     0    0.026   0.026     1.422   81.429   81.429
LGA    A   281_B      A   281_B     0.899     0    0.031   0.039     1.501   83.810   85.143
LGA    I   282_B      I   282_B     1.762     0    0.016   0.107     2.524   70.952   66.905
LGA    E   283_B      E   283_B     2.034     0    0.176   0.951     4.457   64.881   59.259
LGA    V   284_B      V   284_B     1.973     0    0.033   0.046     2.652   66.905   70.680
LGA    A   285_B      A   285_B     2.653     0    0.098   0.096     3.493   55.476   57.333
LGA    K   286_B      K   286_B     3.267     0    0.236   0.461     4.642   45.476   48.148
LGA    K   287_B      K   287_B     2.894     2    0.168   0.655     3.178   53.571   43.757
LGA    L   288_B      L   288_B     3.505     0    0.636   0.763     5.835   37.976   39.881
LGA    G   289_B      G   289_B     4.103     0    0.676   0.676     6.764   32.976   32.976
LGA    K   290_B      K   290_B     4.140     2    0.511   0.531     9.615   48.810   25.767
LGA    G   291_B      G   291_B     4.430     0    0.080   0.080     4.430   38.690   38.690
LGA    K   292_B      K   292_B     2.976     0    0.102   0.816     5.428   55.357   48.466
LGA    Q   293_B      Q   293_B     2.062     0    0.047   1.221     7.577   68.810   46.825
LGA    V   294_B      V   294_B     1.618     0    0.044   0.213     1.717   72.857   76.531
LGA    I   295_B      I   295_B     1.688     0    0.043   0.601     3.856   77.143   67.321
LGA    T   296_B      T   296_B     1.123     0    0.039   0.097     1.336   81.429   85.306
LGA    V   297_B      V   297_B     1.647     0    0.022   0.978     3.723   75.000   71.088
LGA    A   298_B      A   298_B     1.845     0    0.088   0.084     2.653   66.905   68.095
LGA    P   299_B      P   299_B     2.917     0    0.088   0.204     3.928   53.810   56.327
LGA    D   300_B      D   300_B     4.452     0    0.055   0.130     6.112   41.905   34.286
LGA    G   301_B      G   301_B     4.256     0    0.081   0.081     4.701   35.714   35.714
LGA    G   302_B      G   302_B     4.237     0    0.598   0.598     5.150   34.405   34.405
LGA    D   303_B      D   303_B     3.585     0    0.377   0.938     5.818   46.786   38.571
LGA    R   304_B      R   304_B     1.465     6    0.728   0.670     3.712   67.619   31.212
LGA    Y   305_B      Y   305_B     1.716     0    0.066   1.358     9.195   72.857   47.341
LGA    L   306_B      L   306_B     1.706     0    0.235   0.249     3.182   79.405   69.345
LGA    S   307_B      S   307_B     1.206     0    0.186   0.665     4.269   75.119   65.794
LGA    T   308_B      T   308_B     4.073     0    0.565   1.426     8.283   41.190   31.020
LGA    E   309_B      E   309_B     7.386     3    0.222   0.759     9.982    8.690    4.074
LGA    L   310_B      L   310_B     9.998     0    0.051   0.147    13.936    1.310    0.655
LGA    F   311_B      F   311_B     8.853     0    0.472   0.504    14.360    5.000    2.121
LGA    N   312_B      N   312_B     7.200     0    0.486   1.209     8.197   10.119    9.405
LGA    Y   313_B      Y   313_B     9.953     0    0.607   1.334    16.202    0.833    0.317

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      281    1124   1124  100.00    1997   1997  100.00               281
SUMMARY(RMSD_GDC):     3.285          3.267                  3.867           61.770   57.062

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  313  281    4.0    249    2.36    66.192    63.851    10.139

LGA_LOCAL      RMSD:   2.356  Number of atoms:  249  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.321  Number of assigned atoms:  281 
Std_ASGN_ATOMS RMSD:   3.285  Standard rmsd on all 281 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.656356 * X  +  -0.498540 * Y  +   0.566264 * Z  +  -9.579640
  Y_new =  -0.752133 * X  +   0.373585 * Y  +  -0.542890 * Z  + -11.110391
  Z_new =   0.059105 * X  +  -0.782235 * Y  +  -0.620173 * Z  +  25.921144 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.288299 -0.059139 -2.241145   [DEG: -131.1099   -3.3884 -128.4082 ]
ZXZ:  0.806468  2.239760  3.066177   [DEG:   46.2072  128.3288  175.6790 ]
 
# END of job
