
#######################################################
#                                                     #
#                        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       3.97     3.97
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   120      33_B - 152_B       1.95     4.46
  LONGEST_CONTINUOUS_SEGMENT:   120      34_B - 153_B       1.99     4.51
  LCS_AVERAGE:     32.13

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    87      56_B - 142_B       0.99     5.61
  LCS_AVERAGE:     20.05

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    5  281      3    3    4    4    5    6    7    7    7   57   67   81  189  238  257  262  268  273  275  276 
LCS_GDT     H     7_B     H     7_B      4   16  281      3    3    4    5  121  150  185  226  240  246  250  254  258  261  265  271  273  275  275  276 
LCS_GDT     T     8_B     T     8_B     13   16  281      4   13   22   86  106  130  153  184  214  241  250  254  256  260  265  271  273  275  275  276 
LCS_GDT     K     9_B     K     9_B     13   16  281      4   13   16   91  114  142  167  192  237  246  250  254  258  261  265  271  273  275  275  276 
LCS_GDT     I    10_B     I    10_B     13   16  281     40   68   90  114  138  169  205  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     T    11_B     T    11_B     13   16  281      4   63   90  118  145  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     N    12_B     N    12_B     13   19  281      5   49   90  118  145  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     S    13_B     S    13_B     13   19  281      5   61   90  118  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     I    14_B     I    14_B     13   32  281     20   61   90  118  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     V    15_B     V    15_B     13   32  281     20   58   90  118  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     N    16_B     N    16_B     13   32  281     38   68   90  118  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     L    17_B     L    17_B     13   32  281      7   54   90  118  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     I    18_B     I    18_B     15   32  281     11   62  101  121  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     G    19_B     G    19_B     15   32  281      5   54  107  123  129  163  205  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     N    20_B     N    20_B     15   32  281     21   92  110  123  129  145  200  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     T    21_B     T    21_B     15   32  281     55   92  110  123  129  175  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     P    22_B     P    22_B     15   32  281     65   92  110  123  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     I    23_B     I    23_B     15   32  281     53   92  110  123  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     V    24_B     V    24_B     15   32  281     65   92  110  123  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     K    25_B     K    25_B     15   32  281     65   92  110  123  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     L    26_B     L    26_B     15   32  281     65   92  110  123  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     N    27_B     N    27_B     15   32  281     65   92  110  123  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     R    28_B     R    28_B     15   32  281     65   92  110  123  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     V    29_B     V    29_B     15   32  281     65   92  110  123  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     V    30_B     V    30_B     15   32  281     65   92  110  123  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     P    31_B     P    31_B     15   32  281     26   86  110  123  129  163  207  231  239  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     E    32_B     E    32_B     15   32  281     28   88  109  123  129  139  174  216  238  245  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     D    33_B     D    33_B      3  120  281      3   20   37   64   84  153  200  230  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     A    34_B     A    34_B     12  120  281      3    5   25   93  142  179  207  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     A    35_B     A    35_B     12  120  281     12   71  103  123  144  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     D    36_B     D    36_B     12  120  281     20   92  110  123  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     V    37_B     V    37_B     12  120  281     36   92  110  123  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     Y    38_B     Y    38_B     12  120  281     65   92  110  123  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     V    39_B     V    39_B     12  120  281     65   92  110  123  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     K    40_B     K    40_B     12  120  281     65   92  110  123  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     L    41_B     L    41_B     12  120  281     65   92  110  123  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     E    42_B     E    42_B     12  120  281     65   92  110  123  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     F    43_B     F    43_B     12  120  281     40   92  110  123  144  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     F    44_B     F    44_B     12  120  281     15   86  110  123  130  167  203  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     N    45_B     N    45_B     12  120  281     25   86  110  123  129  150  203  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     P    46_B     P    46_B     11  120  281      4   27   66  121  129  135  154  196  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     G    47_B     G    47_B     23  120  281      4   50   82  106  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     G    48_B     G    48_B     23  120  281      4    6   29   53   90  159  198  226  239  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     S    49_B     S    49_B     30  120  281      4   18   58   90  109  178  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     I    50_B     I    50_B     30  120  281      4   20   58   89  108  178  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     K    51_B     K    51_B     30  120  281      6   21   70   95  115  178  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     D    52_B     D    52_B     30  120  281     30   68   90  111  146  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     R    53_B     R    53_B     30  120  281     15   53   88  118  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     I    54_B     I    54_B     30  120  281      7   22   63  100  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     A    55_B     A    55_B     30  120  281      7   60   83  106  145  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     L    56_B     L    56_B     87  120  281     30   68   90  118  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     A    57_B     A    57_B     87  120  281     14   67   90  118  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     M    58_B     M    58_B     87  120  281     11   58   90  118  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     I    59_B     I    59_B     87  120  281     30   68   90  118  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     E    60_B     E    60_B     87  120  281     28   68   90  118  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     E    61_B     E    61_B     87  120  281     22   68   90  118  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     A    62_B     A    62_B     87  120  281     30   68   90  118  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     E    63_B     E    63_B     87  120  281     30   68   90  118  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     K    64_B     K    64_B     87  120  281     28   68   90  118  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     A    65_B     A    65_B     87  120  281     30   68   90  118  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     G    66_B     G    66_B     87  120  281     30   68   90  118  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     K    67_B     K    67_B     87  120  281     30   68   90  118  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     L    68_B     L    68_B     87  120  281     30   68   90  118  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     Q    69_B     Q    69_B     87  120  281     43   68   90  118  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     A    70_B     A    70_B     87  120  281     35   68   90  118  146  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     G    71_B     G    71_B     87  120  281      4   53   76  105  132  161  203  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     G    72_B     G    72_B     87  120  281     40   68   90  118  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     T    73_B     T    73_B     87  120  281     44   68   90  118  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     I    74_B     I    74_B     87  120  281     44   68   90  118  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     V    75_B     V    75_B     87  120  281     44   68   90  118  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     E    76_B     E    76_B     87  120  281     43   68   90  118  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     P    77_B     P    77_B     87  120  281     44   68   90  118  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     T    78_B     T    78_B     87  120  281     36   68   90  118  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     S    79_B     S    79_B     87  120  281      3   46   88  118  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     G    80_B     G    80_B     87  120  281     17   41   89  118  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     N    81_B     N    81_B     87  120  281      6   52  100  118  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     T    82_B     T    82_B     87  120  281     17   36   95  115  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     G    83_B     G    83_B     87  120  281     17   68   90  118  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     V    84_B     V    84_B     87  120  281     18   68   90  118  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     G    85_B     G    85_B     87  120  281     17   68   89  118  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     L    86_B     L    86_B     87  120  281     17   68   90  118  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     A    87_B     A    87_B     87  120  281     44   68   90  118  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     M    88_B     M    88_B     87  120  281     44   68   90  118  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     V    89_B     V    89_B     87  120  281     26   68   90  118  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     A    90_B     A    90_B     87  120  281     19   68   90  118  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     A    91_B     A    91_B     87  120  281     43   68   90  118  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     A    92_B     A    92_B     87  120  281     19   68   90  112  144  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     K    93_B     K    93_B     87  120  281     17   67   90  112  144  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     G    94_B     G    94_B     87  120  281     44   68   90  118  146  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     Y    95_B     Y    95_B     87  120  281     44   68   90  118  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     H    96_B     H    96_B     87  120  281     44   68   90  118  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     L    97_B     L    97_B     87  120  281     44   68   90  118  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     V    98_B     V    98_B     87  120  281     44   68   90  118  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     I    99_B     I    99_B     87  120  281     44   68   90  118  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     T   100_B     T   100_B     87  120  281     44   68   90  118  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     M   101_B     M   101_B     87  120  281     44   68   90  118  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     P   102_B     P   102_B     87  120  281     44   68   90  118  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     E   103_B     E   103_B     87  120  281     44   68   90  118  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     T   104_B     T   104_B     87  120  281     30   68   90  118  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     M   105_B     M   105_B     87  120  281      6   66   90  117  145  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     S   106_B     S   106_B     87  120  281      3    3   37   99  144  179  207  231  239  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     V   107_B     V   107_B     87  120  281      3   18   78  106  145  181  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     E   108_B     E   108_B     87  120  281     21   60   89  118  145  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     R   109_B     R   109_B     87  120  281      9   63   90  118  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     R   110_B     R   110_B     87  120  281     40   68   90  118  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     K   111_B     K   111_B     87  120  281     43   68   90  118  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     L   112_B     L   112_B     87  120  281     44   68   90  118  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     M   113_B     M   113_B     87  120  281     44   68   90  118  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     Q   114_B     Q   114_B     87  120  281     44   68   90  118  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     G   115_B     G   115_B     87  120  281     44   68   90  118  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     Y   116_B     Y   116_B     87  120  281     43   68   90  118  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     G   117_B     G   117_B     87  120  281     44   68   90  118  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     A   118_B     A   118_B     87  120  281     44   68   90  118  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     E   119_B     E   119_B     87  120  281     44   68   90  118  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     L   120_B     L   120_B     87  120  281     44   68   90  118  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     I   121_B     I   121_B     87  120  281     44   68   90  118  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     L   122_B     L   122_B     87  120  281     44   68   90  118  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     T   123_B     T   123_B     87  120  281     44   68   90  118  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     P   124_B     P   124_B     87  120  281     44   68   90  118  146  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     G   125_B     G   125_B     87  120  281     44   68   90  118  145  180  207  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     A   126_B     A   126_B     87  120  281      6   63   89  109  132  161  191  219  235  245  248  251  256  261  267  271  273  275  275  276 
LCS_GDT     D   127_B     D   127_B     87  120  281     44   68   90  118  145  179  205  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     G   128_B     G   128_B     87  120  281     44   68   90  118  145  180  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     M   129_B     M   129_B     87  120  281     44   68   90  118  146  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     K   130_B     K   130_B     87  120  281     44   68   90  118  145  180  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     G   131_B     G   131_B     87  120  281     41   68   90  118  145  180  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     A   132_B     A   132_B     87  120  281     44   68   90  118  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     I   133_B     I   133_B     87  120  281     44   68   90  118  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     A   134_B     A   134_B     87  120  281     44   68   90  118  146  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     K   135_B     K   135_B     87  120  281     44   68   90  118  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     A   136_B     A   136_B     87  120  281     44   68   90  118  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     E   137_B     E   137_B     87  120  281     44   68   90  118  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     E   138_B     E   138_B     87  120  281     44   68   90  118  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     L   139_B     L   139_B     87  120  281     44   68   90  118  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     V   140_B     V   140_B     87  120  281     40   68   90  118  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     K   141_B     K   141_B     87  120  281     44   68   90  118  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     E   142_B     E   142_B     87  120  281     37   68   90  118  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     K   143_B     K   143_B     86  120  281     14   52   88  118  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     G   144_B     G   144_B     84  120  281      4   21   72  111  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     Y   145_B     Y   145_B     84  120  281     43   68   90  118  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     F   146_B     F   146_B     84  120  281     44   68   90  118  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     M   147_B     M   147_B     84  120  281     44   68   90  118  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     P   148_B     P   148_B     84  120  281     43   68   90  118  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     M   149_B     M   149_B     81  120  281      3    8   69   99  145  181  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     Q   150_B     Q   150_B     69  120  281      5   60   83  106  145  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     F   151_B     F   151_B      6  120  281      3    6   24   79  140  181  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     D   152_B     D   152_B      6  120  281      6   27   42   62   84  156  204  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     N   153_B     N   153_B      6  120  281      4    6   31   54   77   99  133  148  193  217  243  251  258  261  267  271  273  275  275  276 
LCS_GDT     P   154_B     P   154_B      6  118  281      4   12   29   46   60   89  109  134  161  212  235  249  256  261  267  271  273  275  275  276 
LCS_GDT     A   155_B     A   155_B      6  109  281      4    6    6    7    9   13   16   62   77   88  107  138  158  188  220  251  260  269  273  276 
LCS_GDT     H   160_B     H   160_B      4   19  281      3    4    4    7   15   20   24   28   34   44   53   97  113  164  241  259  264  270  273  275 
LCS_GDT     E   161_B     E   161_B      4   19  281      3    4   10   15   22   67   98  130  171  210  234  248  255  261  267  271  273  275  275  276 
LCS_GDT     E   162_B     E   162_B     14   19  281      3    8   17   42   70   98  112  135  188  226  243  251  256  261  267  271  273  275  275  276 
LCS_GDT     T   163_B     T   163_B     14   19  281      7   10   14   17   32   56   80  110  159  196  219  244  253  260  267  271  273  275  275  276 
LCS_GDT     T   164_B     T   164_B     14   19  281      7   12   14   16   22   27   41   66  108  169  206  231  249  257  267  270  273  275  275  276 
LCS_GDT     G   165_B     G   165_B     14   19  281      7   12   14   20   39   59  105  160  202  223  243  251  258  261  267  271  273  275  275  276 
LCS_GDT     K   166_B     K   166_B     14   47  281      7   12   14   39   53  100  133  175  212  236  245  251  258  261  267  271  273  275  275  276 
LCS_GDT     E   167_B     E   167_B     14   47  281      7   12   19   43   56   75   96  140  149  163  204  235  251  260  267  271  273  275  275  276 
LCS_GDT     I   168_B     I   168_B     14   47  281      7   12   14   23   45   75   98  131  149  158  186  232  250  260  267  271  273  275  275  276 
LCS_GDT     L   169_B     L   169_B     14   47  281      7   16   35   87  120  135  138  144  160  207  233  251  258  261  267  271  273  275  275  276 
LCS_GDT     E   170_B     E   170_B     14   47  281      7   15   34   69  105  131  138  141  149  155  174  218  243  257  267  271  273  275  275  276 
LCS_GDT     A   171_B     A   171_B     14   47  281      7   12   15   37   63   95  119  136  146  149  156  169  192  213  249  265  270  275  275  276 
LCS_GDT     F   172_B     F   172_B     14   47  281      7   12   22   45   76  106  128  141  146  153  167  198  240  255  267  271  273  275  275  276 
LCS_GDT     G   173_B     G   173_B     14   47  281      7   12   14   29   56   88  118  139  146  149  156  167  187  238  251  265  270  275  275  276 
LCS_GDT     D   174_B     D   174_B     14   47  281      7   12   28   60  100  124  136  141  146  155  171  224  253  257  267  271  273  275  275  276 
LCS_GDT     D   175_B     D   175_B     14   47  281      7   12   28   46   87  116  136  141  146  155  178  244  253  258  267  271  273  275  275  276 
LCS_GDT     I   176_B     I   176_B     14   47  281      3    9   36   89  123  135  142  175  216  244  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     P   177_B     P   177_B     36   47  281     12   79  108  123  129  168  206  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     D   178_B     D   178_B     36   47  281     65   92  110  123  146  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     A   179_B     A   179_B     36   47  281     65   92  110  123  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     F   180_B     F   180_B     36   47  281     65   92  110  123  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     V   181_B     V   181_B     36   47  281     65   92  110  123  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     A   182_B     A   182_B     36   47  281     65   92  110  123  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     G   183_B     G   183_B     36   47  281     20   83  110  123  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     V   184_B     V   184_B     36   47  281     12   74  110  123  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     G   185_B     G   185_B     36   47  281     13   59  101  121  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     T   186_B     T   186_B     36   47  281      7   23   63   97  127  135  162  221  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     G   187_B     G   187_B     36   47  281      9   47  102  123  136  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     G   188_B     G   188_B     36   47  281      7   37   77   99  127  151  201  229  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     T   189_B     T   189_B     36   47  281      7   29   63  106  129  176  206  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     L   190_B     L   190_B     36   47  281     14   80  110  123  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     T   191_B     T   191_B     36   47  281     35   68  107  123  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     G   192_B     G   192_B     36   47  281     14   62  104  123  144  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     V   193_B     V   193_B     36   47  281     18   90  110  123  144  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     G   194_B     G   194_B     36   47  281     27   92  110  123  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     H   195_B     H   195_B     36   47  281     15   80  109  123  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     A   196_B     A   196_B     36   47  281     34   92  110  123  144  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     L   197_B     L   197_B     36   47  281     34   92  110  123  144  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     K   198_B     K   198_B     36   47  281     24   92  110  123  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     K   199_B     K   199_B     36   47  281      9   75  109  123  144  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     A   200_B     A   200_B     36   90  281     24   75  109  123  144  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     N   201_B     N   201_B     36   90  281     27   85  110  123  146  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     P   202_B     P   202_B     36   90  281     27   92  110  123  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     N   203_B     N   203_B     36   90  281     35   92  110  123  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     V   204_B     V   204_B     36   90  281     53   92  110  123  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     Q   205_B     Q   205_B     36   90  281     65   92  110  123  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     I   206_B     I   206_B     36   90  281     65   92  110  123  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     Y   207_B     Y   207_B     36   90  281     65   92  110  123  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     A   208_B     A   208_B     36   90  281     65   92  110  123  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     L   209_B     L   209_B     36   90  281     65   92  110  123  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     E   210_B     E   210_B     36   90  281     65   92  110  123  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     P   211_B     P   211_B     36   90  281     50   84  110  123  141  178  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     A   212_B     A   212_B     36   90  281     30   83  110  123  140  173  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     P   236_B     P   236_B      3   90  281      0    3    3    7   10   27   39   54   89  134  146  150  157  168  179  205  214  247  269  275 
LCS_GDT     K   237_B     K   237_B      3   90  281      1    3    4    4    7    8   41   57   70   85  145  153  158  167  179  200  230  249  269  275 
LCS_GDT     V   238_B     V   238_B      5   90  281      3    5    8   12   18   24   41   57   69   85  108  152  157  164  179  198  214  247  258  275 
LCS_GDT     L   239_B     L   239_B      6   90  281      4    7   17   64   92  124  138  141  152  169  204  234  246  261  267  271  273  275  275  276 
LCS_GDT     D   240_B     D   240_B     69   90  281      4   14   69  105  125  135  138  169  198  223  244  251  258  261  267  271  273  275  275  276 
LCS_GDT     T   241_B     T   241_B     72   90  281     17   55  101  123  135  173  206  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     D   242_B     D   242_B     72   90  281     38   92  110  123  145  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     V   243_B     V   243_B     72   90  281     27   92  110  123  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     Y   244_B     Y   244_B     72   90  281     37   92  110  123  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     N   245_B     N   245_B     72   90  281     27   92  110  123  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     G   246_B     G   246_B     72   90  281     65   92  110  123  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     I   247_B     I   247_B     72   90  281     65   92  110  123  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     L   248_B     L   248_B     72   90  281     65   92  110  123  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     E   249_B     E   249_B     72   90  281     65   92  110  123  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     I   250_B     I   250_B     72   90  281     65   92  110  123  142  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     K   251_B     K   251_B     72   90  281     65   92  110  123  139  170  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     S   252_B     S   252_B     72   90  281     65   92  110  123  129  168  207  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     D   253_B     D   253_B     72   90  281     65   92  110  123  129  168  207  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     D   254_B     D   254_B     72   90  281     65   92  110  123  139  173  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     A   255_B     A   255_B     72   90  281     65   92  110  123  142  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     I   256_B     I   256_B     72   90  281     65   92  110  123  129  169  207  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     T   257_B     T   257_B     72   90  281     65   92  110  123  129  170  207  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     M   258_B     M   258_B     72   90  281     65   92  110  123  142  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     A   259_B     A   259_B     72   90  281     65   92  110  123  142  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     R   260_B     R   260_B     72   90  281     65   92  110  123  139  172  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     E   261_B     E   261_B     72   90  281     65   92  110  123  142  181  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     V   262_B     V   262_B     72   90  281     65   92  110  123  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     G   263_B     G   263_B     72   90  281     65   92  110  123  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     H   264_B     H   264_B     72   90  281     65   92  110  123  142  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     Q   265_B     Q   265_B     72   90  281     65   92  110  123  145  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     E   266_B     E   266_B     72   90  281     65   92  110  123  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     G   267_B     G   267_B     72   90  281     65   92  110  123  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     I   268_B     I   268_B     72   90  281     65   92  110  123  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     L   269_B     L   269_B     72   90  281     65   92  110  123  145  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     V   270_B     V   270_B     72   90  281     11   91  110  123  140  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     G   271_B     G   271_B     72   90  281     29   92  110  123  129  173  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     I   272_B     I   272_B     72   90  281     65   92  110  123  129  173  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     S   273_B     S   273_B     72   90  281     65   92  110  123  141  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     A   274_B     A   274_B     72   90  281     65   92  110  123  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     G   275_B     G   275_B     72   90  281     65   92  110  123  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     A   276_B     A   276_B     72   90  281     65   92  110  123  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     N   277_B     N   277_B     72   90  281     65   92  110  123  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     I   278_B     I   278_B     72   90  281     65   92  110  123  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     K   279_B     K   279_B     72   90  281     65   92  110  123  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     G   280_B     G   280_B     72   90  281     65   92  110  123  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     A   281_B     A   281_B     72   90  281     65   92  110  123  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     I   282_B     I   282_B     72   90  281     55   92  110  123  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     E   283_B     E   283_B     72   90  281     55   92  110  123  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     V   284_B     V   284_B     72   90  281     55   92  110  123  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     A   285_B     A   285_B     72   90  281     55   92  110  123  146  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     K   286_B     K   286_B     72   90  281     55   92  110  123  140  181  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     K   287_B     K   287_B     72   90  281     42   88  110  123  135  181  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     L   288_B     L   288_B     72   90  281     37   91  110  123  129  181  207  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     G   289_B     G   289_B     72   90  281      7   36   65   98  127  165  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     K   290_B     K   290_B     72   90  281     15   65  106  123  129  165  207  231  239  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     G   291_B     G   291_B     72   90  281     43   92  110  123  129  165  207  231  239  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     K   292_B     K   292_B     72   90  281     46   92  110  123  135  181  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     Q   293_B     Q   293_B     72   90  281     65   92  110  123  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     V   294_B     V   294_B     72   90  281     65   92  110  123  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     I   295_B     I   295_B     72   90  281     65   92  110  123  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     T   296_B     T   296_B     72   90  281     65   92  110  123  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     V   297_B     V   297_B     72   90  281     65   92  110  123  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     A   298_B     A   298_B     72   90  281     65   92  110  123  150  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     P   299_B     P   299_B     72   90  281     65   92  110  123  145  182  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     D   300_B     D   300_B     72   90  281     13   81  110  123  129  160  203  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     G   301_B     G   301_B     72   90  281      7   88  110  123  129  169  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     G   302_B     G   302_B     72   90  281     55   91  110  123  129  167  203  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     D   303_B     D   303_B     72   90  281     46   92  110  123  132  169  208  231  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     R   304_B     R   304_B     72   90  281     14   78  110  123  129  137  198  226  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     Y   305_B     Y   305_B     72   90  281     19   91  110  123  129  136  170  220  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     L   306_B     L   306_B     72   90  281     43   92  110  123  129  137  196  226  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     S   307_B     S   307_B     72   90  281     11   69  104  121  129  135  144  158  184  243  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     T   308_B     T   308_B     72   90  281      9   30   98  118  129  135  142  151  168  210  248  254  258  261  267  271  273  275  275  276 
LCS_GDT     E   309_B     E   309_B     72   90  281      8   34   91  116  129  135  142  151  168  209  225  254  258  261  267  271  273  275  275  276 
LCS_GDT     L   310_B     L   310_B     72   90  281      9   45  100  118  129  135  150  177  205  243  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     F   311_B     F   311_B     72   90  281      7   69   97  123  129  137  175  214  240  246  250  254  258  261  267  271  273  275  275  276 
LCS_GDT     N   312_B     N   312_B     72   90  281      9   56  100  118  129  135  148  167  202  225  248  254  258  261  267  271  273  275  275  276 
LCS_GDT     Y   313_B     Y   313_B     14   77  281      3    3    4   29   58   98  127  148  166  177  204  237  251  261  267  271  273  275  275  276 
LCS_AVERAGE  LCS_A:  50.72  (  20.05   32.13  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     65     92    110    123    150    182    208    231    240    246    250    254    258    261    267    271    273    275    275    276 
GDT PERCENT_AT  23.13  32.74  39.15  43.77  53.38  64.77  74.02  82.21  85.41  87.54  88.97  90.39  91.81  92.88  95.02  96.44  97.15  97.86  97.86  98.22
GDT RMS_LOCAL    0.30   0.57   0.74   0.94   1.71   1.95   2.18   2.40   2.55   2.61   2.71   2.83   2.95   3.02   3.29   3.40   3.46   3.56   3.56   3.60
GDT RMS_ALL_AT   6.27   6.10   6.20   6.11   4.09   4.08   4.06   4.06   4.05   4.04   4.04   4.04   4.01   4.00   3.98   3.98   3.98   3.98   3.98   3.98

# Checking swapping
#   possible swapping detected:  Y    38_B      Y    38_B
#   possible swapping detected:  E    42_B      E    42_B
#   possible swapping detected:  F    44_B      F    44_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   108_B      E   108_B
#   possible swapping detected:  E   119_B      E   119_B
#   possible swapping detected:  F   151_B      F   151_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:  D   240_B      D   240_B
#   possible swapping detected:  D   242_B      D   242_B
#   possible swapping detected:  E   249_B      E   249_B
#   possible swapping detected:  D   253_B      D   253_B
#   possible swapping detected:  E   261_B      E   261_B
#   possible swapping detected:  E   266_B      E   266_B
#   possible swapping detected:  D   300_B      D   300_B
#   possible swapping detected:  D   303_B      D   303_B
#   possible swapping detected:  Y   305_B      Y   305_B
#   possible swapping detected:  F   311_B      F   311_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    H     6_B      H     6_B     8.299     0    0.648   1.617    12.166   12.024    5.143
LGA    H     7_B      H     7_B     5.162     0    0.714   0.861     7.335   20.595   19.810
LGA    T     8_B      T     8_B     6.716     0    0.491   0.474     9.477   16.310   10.612
LGA    K     9_B      K     9_B     5.991     4    0.119   0.130     6.189   24.048   13.069
LGA    I    10_B      I    10_B     4.081     0    0.037   0.581     6.261   35.833   34.048
LGA    T    11_B      T    11_B     2.652     0    0.027   1.115     3.881   57.143   57.415
LGA    N    12_B      N    12_B     2.701     0    0.060   0.528     4.991   60.952   54.048
LGA    S    13_B      S    13_B     2.083     0    0.111   0.154     2.365   68.810   68.810
LGA    I    14_B      I    14_B     0.986     0    0.039   0.797     2.691   88.214   86.369
LGA    V    15_B      V    15_B     0.394     0    0.069   1.397     3.248   90.595   81.361
LGA    N    16_B      N    16_B     1.793     0    0.034   1.233     3.084   72.976   68.036
LGA    L    17_B      L    17_B     2.112     0    0.089   0.189     2.457   66.786   66.786
LGA    I    18_B      I    18_B     2.247     0    0.042   0.075     2.923   62.976   67.024
LGA    G    19_B      G    19_B     3.847     0    0.690   0.690     4.527   42.024   42.024
LGA    N    20_B      N    20_B     3.900     0    0.105   0.158     4.742   46.905   42.857
LGA    T    21_B      T    21_B     3.321     0    0.021   0.967     6.220   48.333   42.449
LGA    P    22_B      P    22_B     2.203     0    0.569   0.775     4.642   52.619   60.136
LGA    I    23_B      I    23_B     1.863     0    0.069   0.276     3.424   72.857   67.024
LGA    V    24_B      V    24_B     1.390     0    0.073   0.662     3.227   81.429   76.939
LGA    K    25_B      K    25_B     1.590     0    0.034   0.188     2.216   72.857   68.360
LGA    L    26_B      L    26_B     1.431     0    0.038   0.109     1.655   77.143   79.286
LGA    N    27_B      N    27_B     2.278     0    0.086   0.200     2.869   64.881   63.869
LGA    R    28_B      R    28_B     2.584     0    0.122   0.482     3.481   57.262   53.939
LGA    V    29_B      V    29_B     2.363     0    0.048   1.191     3.602   62.857   58.503
LGA    V    30_B      V    30_B     2.600     0    0.152   1.441     4.023   55.476   52.449
LGA    P    31_B      P    31_B     4.581     0    0.470   0.550     7.093   27.738   36.735
LGA    E    32_B      E    32_B     5.639     4    0.459   0.480     6.473   25.119   13.069
LGA    D    33_B      D    33_B     4.769     0    0.445   1.174     7.063   37.262   26.310
LGA    A    34_B      A    34_B     3.779     0    0.605   0.596     5.236   55.595   49.714
LGA    A    35_B      A    35_B     3.235     0    0.065   0.074     4.279   51.905   48.952
LGA    D    36_B      D    36_B     2.039     0    0.082   0.159     2.568   68.810   66.845
LGA    V    37_B      V    37_B     1.386     0    0.059   0.832     3.315   79.286   74.490
LGA    Y    38_B      Y    38_B     1.407     0    0.045   0.208     2.967   81.429   68.452
LGA    V    39_B      V    39_B     1.091     0    0.033   0.894     2.507   81.429   78.027
LGA    K    40_B      K    40_B     1.812     0    0.028   0.200     4.140   75.000   60.635
LGA    L    41_B      L    41_B     1.870     0    0.068   0.119     2.732   66.905   70.952
LGA    E    42_B      E    42_B     2.328     0    0.124   0.978     5.528   60.952   52.804
LGA    F    43_B      F    43_B     3.003     0    0.024   0.374     4.119   50.119   50.390
LGA    F    44_B      F    44_B     3.895     0    0.219   1.786     9.408   36.548   24.675
LGA    N    45_B      N    45_B     4.033     0    0.109   1.336     5.331   43.452   40.476
LGA    P    46_B      P    46_B     5.425     0    0.020   0.217     7.316   29.048   22.381
LGA    G    47_B      G    47_B     2.553     0    0.135   0.135     5.653   48.690   48.690
LGA    G    48_B      G    48_B     4.271     0    0.069   0.069     5.818   36.429   36.429
LGA    S    49_B      S    49_B     3.500     0    0.041   0.095     3.520   46.667   46.667
LGA    I    50_B      I    50_B     3.554     0    0.149   0.773     4.958   48.452   43.631
LGA    K    51_B      K    51_B     3.482     2    0.172   0.825     3.935   48.333   39.048
LGA    D    52_B      D    52_B     2.595     0    0.047   0.304     4.312   65.000   54.345
LGA    R    53_B      R    53_B     0.932     0    0.064   0.928     7.390   83.690   52.165
LGA    I    54_B      I    54_B     2.519     0    0.044   1.650     5.516   59.048   47.143
LGA    A    55_B      A    55_B     2.767     0    0.048   0.080     3.212   60.952   58.762
LGA    L    56_B      L    56_B     1.469     0    0.032   0.101     1.842   79.286   83.750
LGA    A    57_B      A    57_B     1.505     0    0.076   0.087     1.625   77.143   76.286
LGA    M    58_B      M    58_B     1.994     0    0.032   0.181     2.789   72.857   65.952
LGA    I    59_B      I    59_B     1.466     0    0.010   0.147     2.187   79.286   76.131
LGA    E    60_B      E    60_B     1.316     0    0.023   0.316     1.422   81.429   87.566
LGA    E    61_B      E    61_B     1.364     0    0.035   1.129     3.952   81.429   73.545
LGA    A    62_B      A    62_B     1.117     0    0.035   0.038     1.232   83.690   83.238
LGA    E    63_B      E    63_B     1.159     0    0.059   0.217     1.699   81.429   79.524
LGA    K    64_B      K    64_B     1.301     4    0.087   0.086     1.319   81.429   45.238
LGA    A    65_B      A    65_B     1.008     0    0.079   0.093     1.267   85.952   85.048
LGA    G    66_B      G    66_B     0.762     0    0.171   0.171     0.974   90.476   90.476
LGA    K    67_B      K    67_B     0.806     4    0.034   0.070     1.309   90.476   49.259
LGA    L    68_B      L    68_B     0.725     0    0.026   1.335     2.620   85.952   78.750
LGA    Q    69_B      Q    69_B     1.753     4    0.027   0.042     1.999   75.000   41.429
LGA    A    70_B      A    70_B     2.705     0    0.687   0.649     3.155   59.048   57.238
LGA    G    71_B      G    71_B     3.829     0    0.091   0.091     4.166   45.119   45.119
LGA    G    72_B      G    72_B     2.461     0    0.075   0.075     2.805   64.881   64.881
LGA    T    73_B      T    73_B     1.630     0    0.035   0.125     2.188   72.976   71.769
LGA    I    74_B      I    74_B     0.835     0    0.054   0.560     2.040   88.214   85.000
LGA    V    75_B      V    75_B     1.046     0    0.019   0.087     1.432   88.214   85.306
LGA    E    76_B      E    76_B     0.951     0    0.082   0.187     1.111   85.952   88.466
LGA    P    77_B      P    77_B     1.549     0    0.132   0.145     2.095   77.143   75.374
LGA    T    78_B      T    78_B     1.569     0    0.147   0.375     2.221   72.857   72.925
LGA    S    79_B      S    79_B     1.673     0    0.668   0.591     3.380   69.286   67.778
LGA    G    80_B      G    80_B     1.461     0    0.142   0.142     1.467   81.429   81.429
LGA    N    81_B      N    81_B     1.846     3    0.100   0.114     2.575   72.857   43.571
LGA    T    82_B      T    82_B     2.121     0    0.076   0.126     2.932   70.833   64.966
LGA    G    83_B      G    83_B     1.052     0    0.035   0.035     1.299   83.690   83.690
LGA    V    84_B      V    84_B     1.266     0    0.027   1.269     4.011   81.429   72.721
LGA    G    85_B      G    85_B     1.872     0    0.047   0.047     1.970   72.857   72.857
LGA    L    86_B      L    86_B     1.705     0    0.037   1.305     2.652   72.857   73.274
LGA    A    87_B      A    87_B     1.237     0    0.054   0.056     1.400   81.429   83.238
LGA    M    88_B      M    88_B     1.725     0    0.084   0.913     1.953   75.000   75.000
LGA    V    89_B      V    89_B     2.271     0    0.069   0.118     2.593   64.762   63.673
LGA    A    90_B      A    90_B     1.868     0    0.082   0.079     2.259   70.833   71.238
LGA    A    91_B      A    91_B     1.628     0    0.031   0.045     2.346   68.810   71.333
LGA    A    92_B      A    92_B     2.871     0    0.040   0.041     3.358   55.476   54.381
LGA    K    93_B      K    93_B     2.831     0    0.043   0.717     2.975   57.143   63.333
LGA    G    94_B      G    94_B     2.519     0    0.178   0.178     2.528   60.952   60.952
LGA    Y    95_B      Y    95_B     1.448     0    0.041   0.096     1.777   79.286   77.143
LGA    H    96_B      H    96_B     1.193     0    0.049   0.469     2.143   83.690   81.619
LGA    L    97_B      L    97_B     0.624     0    0.030   0.136     0.781   90.476   92.857
LGA    V    98_B      V    98_B     0.909     0    0.038   0.676     2.727   90.476   81.905
LGA    I    99_B      I    99_B     0.933     0    0.032   0.181     1.351   85.952   88.214
LGA    T   100_B      T   100_B     1.671     0    0.028   0.085     2.036   75.000   72.925
LGA    M   101_B      M   101_B     1.994     0    0.027   0.555     2.367   68.810   67.798
LGA    P   102_B      P   102_B     2.201     0    0.016   0.202     2.620   64.762   64.830
LGA    E   103_B      E   103_B     1.924     0    0.019   0.393     2.816   68.810   68.466
LGA    T   104_B      T   104_B     2.520     0    0.052   0.953     5.043   59.048   53.810
LGA    M   105_B      M   105_B     2.934     0    0.094   0.733     3.746   51.905   56.548
LGA    S   106_B      S   106_B     3.505     0    0.442   0.730     5.834   55.833   45.159
LGA    V   107_B      V   107_B     3.084     0    0.637   1.451     6.758   48.571   41.156
LGA    E   108_B      E   108_B     2.817     0    0.026   1.333     5.301   65.000   50.529
LGA    R   109_B      R   109_B     0.923     4    0.053   0.561     2.012   88.214   55.281
LGA    R   110_B      R   110_B     1.162     0    0.079   1.212     4.030   83.690   73.766
LGA    K   111_B      K   111_B     1.180     0    0.041   1.045     7.443   85.952   57.619
LGA    L   112_B      L   112_B     0.826     0    0.063   1.306     3.369   90.476   76.190
LGA    M   113_B      M   113_B     0.681     0    0.023   0.308     1.460   90.476   89.345
LGA    Q   114_B      Q   114_B     0.660     0    0.024   1.036     3.621   90.476   83.228
LGA    G   115_B      G   115_B     0.741     0    0.064   0.064     1.012   88.214   88.214
LGA    Y   116_B      Y   116_B     0.709     0    0.040   0.552     1.644   90.476   85.278
LGA    G   117_B      G   117_B     0.569     0    0.054   0.054     0.850   90.476   90.476
LGA    A   118_B      A   118_B     0.455     0    0.026   0.028     0.531   92.857   94.286
LGA    E   119_B      E   119_B     0.924     0    0.044   0.614     2.468   88.214   82.593
LGA    L   120_B      L   120_B     0.973     0    0.030   0.348     1.531   83.810   87.202
LGA    I   121_B      I   121_B     1.447     1    0.023   0.073     1.761   79.286   66.964
LGA    L   122_B      L   122_B     1.709     0    0.072   0.139     2.057   68.810   70.833
LGA    T   123_B      T   123_B     2.477     0    0.036   0.111     2.852   62.857   60.408
LGA    P   124_B      P   124_B     3.028     0    0.630   0.690     4.458   48.571   47.279
LGA    G   125_B      G   125_B     3.403     0    0.197   0.197     3.929   46.667   46.667
LGA    A   126_B      A   126_B     4.845     0    0.058   0.065     5.339   32.857   31.524
LGA    D   127_B      D   127_B     3.694     0    0.061   0.539     5.180   46.667   43.690
LGA    G   128_B      G   128_B     3.240     0    0.049   0.049     3.405   51.786   51.786
LGA    M   129_B      M   129_B     2.809     0    0.066   0.509     3.466   55.357   54.464
LGA    K   130_B      K   130_B     3.282     4    0.046   0.073     3.455   50.000   27.778
LGA    G   131_B      G   131_B     3.194     0    0.040   0.040     3.272   53.571   53.571
LGA    A   132_B      A   132_B     2.268     0    0.030   0.042     2.654   64.881   64.857
LGA    I   133_B      I   133_B     2.204     0    0.095   0.185     2.380   64.762   64.762
LGA    A   134_B      A   134_B     2.866     0    0.034   0.047     3.136   57.143   55.714
LGA    K   135_B      K   135_B     2.576     0    0.032   0.593     3.062   60.952   62.434
LGA    A   136_B      A   136_B     2.007     0    0.036   0.044     2.226   64.762   66.381
LGA    E   137_B      E   137_B     2.094     2    0.061   0.129     2.339   64.762   52.169
LGA    E   138_B      E   138_B     2.588     0    0.037   0.840     5.803   59.048   47.725
LGA    L   139_B      L   139_B     2.449     0    0.030   0.127     2.857   62.857   60.952
LGA    V   140_B      V   140_B     2.191     0    0.189   0.253     2.317   64.762   65.918
LGA    K   141_B      K   141_B     2.404     4    0.123   0.125     2.785   62.857   34.286
LGA    E   142_B      E   142_B     2.108     4    0.115   0.145     2.491   64.762   36.878
LGA    K   143_B      K   143_B     1.764     4    0.541   0.553     3.382   69.286   38.889
LGA    G   144_B      G   144_B     1.656     0    0.064   0.064     1.902   77.143   77.143
LGA    Y   145_B      Y   145_B     1.161     0    0.222   0.373     3.871   83.690   66.944
LGA    F   146_B      F   146_B     1.236     0    0.061   0.132     1.311   81.429   84.719
LGA    M   147_B      M   147_B     1.032     0    0.020   0.308     1.439   81.429   82.560
LGA    P   148_B      P   148_B     1.164     0    0.619   0.726     2.291   77.262   81.633
LGA    M   149_B      M   149_B     3.169     3    0.338   0.370     3.597   59.405   35.119
LGA    Q   150_B      Q   150_B     2.991     4    0.690   0.639     4.835   50.357   25.873
LGA    F   151_B      F   151_B     3.134     0    0.150   1.238    11.731   59.167   25.628
LGA    D   152_B      D   152_B     4.024     3    0.194   0.205     5.908   36.786   21.071
LGA    N   153_B      N   153_B     7.099     3    0.076   0.118     8.126   16.667    8.929
LGA    P   154_B      P   154_B     8.026     0    0.235   0.267     9.733    4.048    2.789
LGA    A   155_B      A   155_B    12.512     0    0.605   0.611    14.416    0.000    0.000
LGA    H   160_B      H   160_B    12.301     5    0.642   0.615    13.202    0.000    0.000
LGA    E   161_B      E   161_B     8.117     0    0.066   0.667     9.455    6.548    8.254
LGA    E   162_B      E   162_B     7.204     0    0.207   1.091     8.819   10.119    8.307
LGA    T   163_B      T   163_B     8.867     0    0.144   1.151    10.608    2.976    2.789
LGA    T   164_B      T   164_B     9.702     0    0.052   0.189    10.529    1.548    0.884
LGA    G   165_B      G   165_B     7.343     0    0.031   0.031     8.056    8.690    8.690
LGA    K   166_B      K   166_B     7.055     4    0.068   0.096     7.796    8.571    5.291
LGA    E   167_B      E   167_B     9.423     0    0.026   0.874    10.160    1.190    1.005
LGA    I   168_B      I   168_B     9.284     0    0.034   0.098     9.766    1.786    1.548
LGA    L   169_B      L   169_B     7.849     0    0.036   1.470     8.890    4.405    7.024
LGA    E   170_B      E   170_B     9.738     0    0.031   0.869    12.441    0.833    0.423
LGA    A   171_B      A   171_B    11.041     0    0.051   0.048    11.455    0.000    0.000
LGA    F   172_B      F   172_B     9.619     0    0.030   0.320     9.915    0.476    2.338
LGA    G   173_B      G   173_B    10.807     0    0.140   0.140    10.882    0.000    0.000
LGA    D   174_B      D   174_B     9.180     0    0.023   1.131    13.701    1.905    1.012
LGA    D   175_B      D   175_B     8.825     0    0.167   0.766     9.281    3.333    2.738
LGA    I   176_B      I   176_B     6.086     0    0.228   0.480     6.774   19.524   19.940
LGA    P   177_B      P   177_B     4.183     0    0.385   0.506     5.257   38.929   35.918
LGA    D   178_B      D   178_B     2.683     0    0.037   0.170     3.803   60.952   55.536
LGA    A   179_B      A   179_B     1.935     0    0.039   0.051     2.267   70.833   71.238
LGA    F   180_B      F   180_B     1.581     0    0.025   0.128     2.396   77.143   71.472
LGA    V   181_B      V   181_B     1.089     0    0.026   0.086     1.330   81.429   85.306
LGA    A   182_B      A   182_B     1.575     0    0.081   0.097     1.948   75.000   74.571
LGA    G   183_B      G   183_B     1.537     0    0.058   0.058     1.569   77.143   77.143
LGA    V   184_B      V   184_B     1.745     0    0.084   1.112     3.699   70.833   66.327
LGA    G   185_B      G   185_B     2.349     0    0.103   0.103     3.697   55.714   55.714
LGA    T   186_B      T   186_B     4.853     0    0.066   0.099     6.350   31.905   26.803
LGA    G   187_B      G   187_B     3.330     0    0.037   0.037     3.673   48.333   48.333
LGA    G   188_B      G   188_B     4.512     0    0.108   0.108     4.512   35.714   35.714
LGA    T   189_B      T   189_B     3.827     0    0.035   0.121     4.700   46.667   41.769
LGA    L   190_B      L   190_B     2.373     0    0.031   0.422     2.951   62.857   65.893
LGA    T   191_B      T   191_B     2.437     0    0.035   1.132     5.131   62.857   54.966
LGA    G   192_B      G   192_B     3.062     0    0.028   0.028     3.062   55.357   55.357
LGA    V   193_B      V   193_B     2.937     0    0.042   0.104     3.264   57.143   54.082
LGA    G   194_B      G   194_B     2.198     0    0.071   0.071     2.396   66.786   66.786
LGA    H   195_B      H   195_B     2.217     0    0.038   0.528     2.895   64.762   64.857
LGA    A   196_B      A   196_B     3.193     0    0.019   0.028     3.592   51.786   50.095
LGA    L   197_B      L   197_B     2.701     0    0.021   0.125     3.423   57.143   57.202
LGA    K   198_B      K   198_B     2.289     0    0.066   0.639     2.558   60.952   68.730
LGA    K   199_B      K   199_B     3.005     2    0.062   0.348     3.103   51.786   41.270
LGA    A   200_B      A   200_B     2.984     0    0.022   0.039     3.002   55.357   55.714
LGA    N   201_B      N   201_B     2.623     0    0.115   0.288     3.519   57.143   56.369
LGA    P   202_B      P   202_B     2.483     0    0.030   0.267     3.266   60.952   59.388
LGA    N   203_B      N   203_B     2.422     0    0.043   1.115     3.736   62.857   60.179
LGA    V   204_B      V   204_B     2.312     0    0.044   1.052     3.850   68.810   60.952
LGA    Q   205_B      Q   205_B     1.712     0    0.053   1.259     3.551   72.857   67.037
LGA    I   206_B      I   206_B     1.549     0    0.026   0.098     1.893   77.143   75.000
LGA    Y   207_B      Y   207_B     1.135     0    0.025   0.142     1.302   81.429   85.952
LGA    A   208_B      A   208_B     1.361     0    0.046   0.061     1.738   81.429   79.714
LGA    L   209_B      L   209_B     1.434     0    0.028   0.943     3.959   77.143   71.369
LGA    E   210_B      E   210_B     2.373     0    0.052   0.394     2.615   62.976   66.667
LGA    P   211_B      P   211_B     3.128     0    0.057   0.268     3.542   51.786   50.068
LGA    A   212_B      A   212_B     3.308     0    0.566   0.512     3.610   48.333   48.667
LGA    P   236_B      P   236_B    14.087     0    0.486   0.774    15.387    0.000    0.000
LGA    K   237_B      K   237_B    14.497     0    0.532   1.036    16.063    0.000    0.000
LGA    V   238_B      V   238_B    14.274     0    0.619   1.026    16.435    0.000    0.000
LGA    L   239_B      L   239_B     8.575     0    0.114   1.437    10.594    2.619    7.738
LGA    D   240_B      D   240_B     7.077     0    0.053   0.166     8.555   16.190   12.381
LGA    T   241_B      T   241_B     3.705     0    0.158   0.242     5.707   51.190   41.361
LGA    D   242_B      D   242_B     2.932     0    0.138   0.159     4.577   57.262   48.810
LGA    V   243_B      V   243_B     2.033     0    0.058   1.324     3.767   70.952   68.776
LGA    Y   244_B      Y   244_B     1.036     0    0.098   1.064     6.858   85.952   59.444
LGA    N   245_B      N   245_B     0.923     0    0.089   1.009     2.749   85.952   80.655
LGA    G   246_B      G   246_B     0.928     0    0.031   0.031     0.928   90.476   90.476
LGA    I   247_B      I   247_B     1.120     0    0.056   1.591     3.699   83.690   73.869
LGA    L   248_B      L   248_B     1.244     0    0.050   0.433     2.244   81.429   78.274
LGA    E   249_B      E   249_B     2.219     0    0.027   0.940     2.392   66.786   74.127
LGA    I   250_B      I   250_B     2.816     0    0.038   1.301     3.956   53.571   52.738
LGA    K   251_B      K   251_B     3.647     2    0.066   0.690     5.987   45.000   32.011
LGA    S   252_B      S   252_B     3.817     0    0.023   0.554     4.915   43.333   41.349
LGA    D   253_B      D   253_B     4.052     0    0.018   0.992     6.869   41.786   31.548
LGA    D   254_B      D   254_B     3.386     0    0.030   0.657     4.579   48.333   43.571
LGA    A   255_B      A   255_B     2.958     0    0.036   0.056     3.138   51.786   51.429
LGA    I   256_B      I   256_B     3.789     0    0.019   0.128     4.618   45.000   40.357
LGA    T   257_B      T   257_B     3.821     0    0.060   0.141     4.372   46.667   42.585
LGA    M   258_B      M   258_B     2.857     0    0.047   0.938     3.922   55.357   57.381
LGA    A   259_B      A   259_B     2.790     0    0.737   0.710     4.716   48.929   50.571
LGA    R   260_B      R   260_B     3.431     0    0.064   1.244     9.120   50.000   30.346
LGA    E   261_B      E   261_B     3.205     0    0.053   0.766     5.081   53.571   47.725
LGA    V   262_B      V   262_B     2.180     0    0.024   0.414     2.584   64.881   63.741
LGA    G   263_B      G   263_B     2.220     0    0.095   0.095     2.337   64.762   64.762
LGA    H   264_B      H   264_B     2.892     0    0.106   0.842     5.005   57.143   50.810
LGA    Q   265_B      Q   265_B     2.646     0    0.083   1.079     4.868   60.952   55.397
LGA    E   266_B      E   266_B     1.684     0    0.050   0.123     1.953   72.857   76.667
LGA    G   267_B      G   267_B     1.823     0    0.052   0.052     1.823   72.857   72.857
LGA    I   268_B      I   268_B     1.495     0    0.027   0.597     2.087   75.000   76.131
LGA    L   269_B      L   269_B     2.457     0    0.037   0.501     4.123   60.952   56.607
LGA    V   270_B      V   270_B     2.801     0    0.049   0.130     3.342   53.571   55.102
LGA    G   271_B      G   271_B     3.478     0    0.041   0.041     3.478   50.000   50.000
LGA    I   272_B      I   272_B     3.489     0    0.038   0.223     5.512   50.119   41.726
LGA    S   273_B      S   273_B     2.722     0    0.131   0.540     3.076   59.167   57.302
LGA    A   274_B      A   274_B     1.696     0    0.036   0.047     1.985   75.000   74.571
LGA    G   275_B      G   275_B     2.127     0    0.044   0.044     2.158   66.786   66.786
LGA    A   276_B      A   276_B     2.213     0    0.035   0.046     2.523   68.810   66.476
LGA    N   277_B      N   277_B     1.367     0    0.020   0.068     1.875   79.286   77.143
LGA    I   278_B      I   278_B     1.275     0    0.062   0.282     1.557   77.143   80.417
LGA    K   279_B      K   279_B     1.985     0    0.041   0.617     4.728   72.857   62.963
LGA    G   280_B      G   280_B     1.279     0    0.025   0.025     1.477   81.429   81.429
LGA    A   281_B      A   281_B     1.200     0    0.026   0.033     1.880   77.143   78.000
LGA    I   282_B      I   282_B     2.183     0    0.024   1.016     4.354   64.881   60.536
LGA    E   283_B      E   283_B     2.404     0    0.055   0.228     2.837   62.857   63.968
LGA    V   284_B      V   284_B     2.168     0    0.019   0.110     2.835   60.952   66.122
LGA    A   285_B      A   285_B     2.807     0    0.031   0.039     3.572   51.905   52.952
LGA    K   286_B      K   286_B     3.523     0    0.030   0.768     5.376   43.452   42.222
LGA    K   287_B      K   287_B     3.704     2    0.278   0.785     4.133   43.452   40.317
LGA    L   288_B      L   288_B     3.894     0    0.640   0.639     5.670   36.310   39.881
LGA    G   289_B      G   289_B     3.520     0    0.093   0.093     3.714   45.000   45.000
LGA    K   290_B      K   290_B     4.364     2    0.120   0.479     7.332   38.690   24.180
LGA    G   291_B      G   291_B     4.363     0    0.031   0.031     4.394   37.143   37.143
LGA    K   292_B      K   292_B     3.613     0    0.039   0.589     5.121   46.667   40.265
LGA    Q   293_B      Q   293_B     2.539     0    0.065   1.276     8.437   60.952   40.423
LGA    V   294_B      V   294_B     1.776     0    0.039   0.783     3.513   75.000   68.707
LGA    I   295_B      I   295_B     1.638     0    0.041   1.211     4.587   77.143   62.262
LGA    T   296_B      T   296_B     1.104     0    0.121   0.243     1.219   81.429   85.306
LGA    V   297_B      V   297_B     1.865     0    0.040   0.327     2.857   72.857   68.299
LGA    A   298_B      A   298_B     1.977     0    0.067   0.066     2.576   66.905   68.095
LGA    P   299_B      P   299_B     2.716     0    0.046   0.200     3.805   53.810   56.327
LGA    D   300_B      D   300_B     4.087     0    0.098   0.220     6.463   45.119   35.893
LGA    G   301_B      G   301_B     3.661     0    0.046   0.046     4.312   41.786   41.786
LGA    G   302_B      G   302_B     4.006     0    0.103   0.103     4.264   38.690   38.690
LGA    D   303_B      D   303_B     3.636     0    0.180   0.931     5.297   38.810   41.429
LGA    R   304_B      R   304_B     4.949     6    0.105   0.106     5.586   29.048   12.944
LGA    Y   305_B      Y   305_B     5.355     0    0.065   0.192     5.746   25.000   26.667
LGA    L   306_B      L   306_B     5.097     0    0.047   0.221     5.933   23.810   29.762
LGA    S   307_B      S   307_B     7.191     0    0.085   0.649     8.351    8.810    8.254
LGA    T   308_B      T   308_B     7.702     0    0.057   0.134     7.702    8.571    9.660
LGA    E   309_B      E   309_B     8.114     3    0.055   0.670     9.806    5.952    3.016
LGA    L   310_B      L   310_B     6.446     0    0.030   0.099     7.080   16.429   20.774
LGA    F   311_B      F   311_B     4.930     0    0.439   0.875     5.390   33.095   42.771
LGA    N   312_B      N   312_B     7.317     0    0.246   1.244    12.432   13.690    7.024
LGA    Y   313_B      Y   313_B     8.952     0    0.390   1.271     9.553    3.214   14.206

# 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):     3.969          3.946                  4.243           56.994   53.154

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  313  281    4.0    231    2.40    63.790    58.892     9.240

LGA_LOCAL      RMSD:   2.400  Number of atoms:  231  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   4.056  Number of assigned atoms:  281 
Std_ASGN_ATOMS RMSD:   3.969  Standard rmsd on all 281 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.651308 * X  +   0.694879 * Y  +   0.304863 * Z  +  46.619907
  Y_new =   0.715010 * X  +   0.427472 * Y  +   0.553199 * Z  +   4.322441
  Z_new =   0.254086 * X  +   0.578282 * Y  +  -0.775261 * Z  +  17.877144 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.309605 -0.256902  2.500708   [DEG:  132.3306  -14.7194  143.2800 ]
ZXZ:  2.637912  2.457925  0.413988   [DEG:  151.1412  140.8287   23.7197 ]
 
# END of job
