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

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

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

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   281       6_B - 313_B       4.35     4.35
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   119      34_B - 152_B       1.93     4.80
  LONGEST_CONTINUOUS_SEGMENT:   119      35_B - 153_B       1.99     4.87
  LCS_AVERAGE:     29.79

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    87      62_B - 148_B       1.00     5.84
  LCS_AVERAGE:     19.13

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  281
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     H     6_B     H     6_B      3    6  281      0    3    3    5    5    5    7   11   28   34   46   51  133  147  159  162  180  193  212  230 
LCS_GDT     H     7_B     H     7_B      3    6  281      3    3    4    4    5    5    6    7   28   34  111  122  137  147  159  165  180  195  219  230 
LCS_GDT     T     8_B     T     8_B      3   12  281      3    3   30   39   54   92  108  117  133  155  166  182  206  233  247  258  259  265  268  272 
LCS_GDT     K     9_B     K     9_B      4   14  281      3    3   82   93  109  126  138  170  195  228  236  250  253  259  263  268  271  272  273  274 
LCS_GDT     I    10_B     I    10_B     10   15  281      3    8   73  105  131  168  202  220  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     T    11_B     T    11_B     10   15  281     17   65   92  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     N    12_B     N    12_B     10   18  281     17   65   92  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     S    13_B     S    13_B     10   18  281     17   65   92  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     I    14_B     I    14_B     10   18  281     25   65   92  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     V    15_B     V    15_B     10   29  281     19   65   92  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     N    16_B     N    16_B     10   31  281     38   68   92  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     L    17_B     L    17_B     10   31  281      6   64   92  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     I    18_B     I    18_B     13   31  281     10   62   98  115  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     G    19_B     G    19_B     13   31  281      6   64  102  118  128  143  195  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     N    20_B     N    20_B     13   31  281      4   83  102  118  128  145  194  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     T    21_B     T    21_B     13   31  281     36   83  102  118  128  168  201  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     P    22_B     P    22_B     13   31  281     55   83  102  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     I    23_B     I    23_B     13   31  281     47   83  102  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     V    24_B     V    24_B     13   31  281     55   83  102  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     K    25_B     K    25_B     13   31  281     55   83  102  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     L    26_B     L    26_B     13   31  281     55   83  102  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     N    27_B     N    27_B     13   31  281     55   83  102  118  144  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     R    28_B     R    28_B     13   31  281     55   83  102  118  144  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     V    29_B     V    29_B     13   31  281     35   83  102  118  145  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     V    30_B     V    30_B     13   31  281     55   83  102  118  144  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     P    31_B     P    31_B     13   31  281      3   17   72   97  123  136  188  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     E    32_B     E    32_B      3   31  281      3   37   96  118  128  135  147  179  222  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     D    33_B     D    33_B      3  117  281      3    3   20   32   71  132  152  205  230  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     A    34_B     A    34_B     12  119  281      3   12   79  113  144  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     A    35_B     A    35_B     12  119  281     44   83  102  118  144  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     D    36_B     D    36_B     12  119  281     29   83  102  118  145  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     V    37_B     V    37_B     12  119  281     22   83  102  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     Y    38_B     Y    38_B     12  119  281     25   83  102  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     V    39_B     V    39_B     12  119  281     55   83  102  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     K    40_B     K    40_B     12  119  281     55   83  102  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     L    41_B     L    41_B     12  119  281     55   83  102  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     E    42_B     E    42_B     12  119  281     47   83  102  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     F    43_B     F    43_B     12  119  281     19   80  102  118  142  170  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     F    44_B     F    44_B     12  119  281     14   75  101  118  128  147  178  211  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     N    45_B     N    45_B     12  119  281     34   78  101  118  128  145  176  215  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     P    46_B     P    46_B     12  119  281      4   14   81  116  128  135  144  190  222  239  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     G    47_B     G    47_B     23  119  281      9   51   86  113  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     G    48_B     G    48_B     23  119  281      4    6   39   62  106  163  200  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     S    49_B     S    49_B     31  119  281      4   15   47   88  114  175  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     I    50_B     I    50_B     31  119  281      4   17   45   84  108  175  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     K    51_B     K    51_B     31  119  281      6   17   60   93  114  173  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     D    52_B     D    52_B     31  119  281     23   70   92  113  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     R    53_B     R    53_B     31  119  281     16   58   90  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     I    54_B     I    54_B     31  119  281      6   26   76  109  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     A    55_B     A    55_B     31  119  281      6   36   85  108  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     L    56_B     L    56_B     31  119  281     36   70   92  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     A    57_B     A    57_B     31  119  281     15   60   92  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     M    58_B     M    58_B     31  119  281     15   60   92  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     I    59_B     I    59_B     31  119  281     36   70   92  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     E    60_B     E    60_B     31  119  281     22   68   92  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     E    61_B     E    61_B     31  119  281     16   67   92  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     A    62_B     A    62_B     87  119  281     36   70   92  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     E    63_B     E    63_B     87  119  281     26   68   92  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     K    64_B     K    64_B     87  119  281     26   67   92  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     A    65_B     A    65_B     87  119  281     26   70   92  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     G    66_B     G    66_B     87  119  281     18   67   92  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     K    67_B     K    67_B     87  119  281     16   70   92  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     L    68_B     L    68_B     87  119  281     26   70   92  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     Q    69_B     Q    69_B     87  119  281     26   67   92  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     A    70_B     A    70_B     87  119  281      6   54   91  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     G    71_B     G    71_B     87  119  281     39   70   92  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     G    72_B     G    72_B     87  119  281     41   70   92  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     T    73_B     T    73_B     87  119  281     41   70   92  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     I    74_B     I    74_B     87  119  281     41   70   92  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     V    75_B     V    75_B     87  119  281     41   70   92  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     E    76_B     E    76_B     87  119  281     41   70   92  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     P    77_B     P    77_B     87  119  281     41   70   92  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     T    78_B     T    78_B     87  119  281     41   70   92  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     S    79_B     S    79_B     87  119  281     18   54   90  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     G    80_B     G    80_B     87  119  281      3    8   78  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     N    81_B     N    81_B     87  119  281      5   40   93  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     T    82_B     T    82_B     87  119  281     15   40   82  114  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     G    83_B     G    83_B     87  119  281     17   70   92  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     V    84_B     V    84_B     87  119  281     24   70   92  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     G    85_B     G    85_B     87  119  281     17   70   92  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     L    86_B     L    86_B     87  119  281     24   70   92  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     A    87_B     A    87_B     87  119  281     41   70   92  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     M    88_B     M    88_B     87  119  281     40   70   92  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     V    89_B     V    89_B     87  119  281     24   70   92  114  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     A    90_B     A    90_B     87  119  281     28   70   92  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     A    91_B     A    91_B     87  119  281     41   70   92  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     A    92_B     A    92_B     87  119  281     37   70   92  113  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     K    93_B     K    93_B     87  119  281     30   70   92  114  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     G    94_B     G    94_B     87  119  281     40   70   92  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     Y    95_B     Y    95_B     87  119  281     41   70   92  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     H    96_B     H    96_B     87  119  281     41   70   92  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     L    97_B     L    97_B     87  119  281     41   70   92  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     V    98_B     V    98_B     87  119  281     41   70   92  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     I    99_B     I    99_B     87  119  281     41   70   92  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     T   100_B     T   100_B     87  119  281     41   70   92  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     M   101_B     M   101_B     87  119  281     41   70   92  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     P   102_B     P   102_B     87  119  281     41   70   92  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     E   103_B     E   103_B     87  119  281     41   70   92  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     T   104_B     T   104_B     87  119  281     41   70   92  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     M   105_B     M   105_B     87  119  281      5   44   83  109  142  181  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     S   106_B     S   106_B     87  119  281      3    3   10   87  138  173  199  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     V   107_B     V   107_B     87  119  281      3   32   67   98  142  181  201  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     E   108_B     E   108_B     87  119  281      8   70   92  118  144  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     R   109_B     R   109_B     87  119  281     36   70   92  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     R   110_B     R   110_B     87  119  281     26   70   92  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     K   111_B     K   111_B     87  119  281     39   70   92  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     L   112_B     L   112_B     87  119  281     41   70   92  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     M   113_B     M   113_B     87  119  281     41   70   92  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     Q   114_B     Q   114_B     87  119  281     41   70   92  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     G   115_B     G   115_B     87  119  281     40   70   92  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     Y   116_B     Y   116_B     87  119  281     41   70   92  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     G   117_B     G   117_B     87  119  281     41   70   92  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     A   118_B     A   118_B     87  119  281     41   70   92  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     E   119_B     E   119_B     87  119  281     41   70   92  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     L   120_B     L   120_B     87  119  281     41   70   92  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     I   121_B     I   121_B     87  119  281     41   70   92  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     L   122_B     L   122_B     87  119  281     41   70   92  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     T   123_B     T   123_B     87  119  281     41   70   92  118  146  181  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     P   124_B     P   124_B     87  119  281     24   70   92  118  142  175  201  221  235  240  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     G   125_B     G   125_B     87  119  281     39   70   92  118  142  171  201  221  235  240  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     A   126_B     A   126_B     87  119  281      6   61   87  105  131  153  180  206  224  239  244  249  256  259  266  270  271  272  273  274 
LCS_GDT     D   127_B     D   127_B     87  119  281     39   70   92  118  141  171  197  218  235  240  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     G   128_B     G   128_B     87  119  281     26   70   92  118  142  174  201  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     M   129_B     M   129_B     87  119  281     39   70   92  118  144  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     K   130_B     K   130_B     87  119  281     32   70   92  118  144  176  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     G   131_B     G   131_B     87  119  281     12   70   92  118  142  176  201  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     A   132_B     A   132_B     87  119  281     41   70   92  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     I   133_B     I   133_B     87  119  281     41   70   92  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     A   134_B     A   134_B     87  119  281     41   70   92  118  144  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     K   135_B     K   135_B     87  119  281     41   70   92  118  144  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     A   136_B     A   136_B     87  119  281     41   70   92  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     E   137_B     E   137_B     87  119  281     41   70   92  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     E   138_B     E   138_B     87  119  281     41   70   92  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     L   139_B     L   139_B     87  119  281     40   70   92  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     V   140_B     V   140_B     87  119  281      8   70   92  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     K   141_B     K   141_B     87  119  281     26   70   92  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     E   142_B     E   142_B     87  119  281     38   70   92  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     K   143_B     K   143_B     87  119  281     39   70   92  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     G   144_B     G   144_B     87  119  281     41   70   92  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     Y   145_B     Y   145_B     87  119  281     41   70   92  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     F   146_B     F   146_B     87  119  281     41   70   92  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     M   147_B     M   147_B     87  119  281     41   70   92  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     P   148_B     P   148_B     87  119  281     37   70   92  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     M   149_B     M   149_B     82  119  281      3    8   70  105  142  181  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     Q   150_B     Q   150_B     81  119  281     10   59   85  104  140  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     F   151_B     F   151_B     44  119  281      3    6   41   88  142  181  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     D   152_B     D   152_B      6  119  281      3   15   25   64   79  140  180  219  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     N   153_B     N   153_B      6  119  281      3    6   23   48   69   91  125  146  179  207  241  253  256  260  267  270  271  272  273  274 
LCS_GDT     P   154_B     P   154_B      6  118  281      3   11   30   45   61   85  101  125  187  204  230  252  256  260  267  270  271  272  273  274 
LCS_GDT     A   155_B     A   155_B      6  109  281      3    6    6    7   15   20   50   59   75   87  104  136  160  204  214  241  260  272  273  274 
LCS_GDT     H   160_B     H   160_B      4   19  281      3    4    5    8    9   19   24   28   34   44   53   81  116  162  235  257  263  267  269  273 
LCS_GDT     E   161_B     E   161_B      5   19  281      3    4    8   17   22   45   99  138  178  209  230  249  256  260  267  270  271  272  273  274 
LCS_GDT     E   162_B     E   162_B     14   19  281      3    8   15   34   60   92  112  138  184  222  242  253  256  260  267  270  271  272  273  274 
LCS_GDT     T   163_B     T   163_B     14   19  281      7   11   15   17   30   51   75  105  156  191  215  235  251  260  267  270  271  272  273  274 
LCS_GDT     T   164_B     T   164_B     14   19  281      7   11   15   17   22   27   40   67  102  166  208  227  246  255  265  270  271  272  273  274 
LCS_GDT     G   165_B     G   165_B     14   19  281      7   11   15   21   38   56   97  156  198  217  241  253  256  260  267  270  271  272  273  274 
LCS_GDT     K   166_B     K   166_B     14   19  281      7   11   15   33   51   89  125  164  199  231  245  253  256  260  267  270  271  272  273  274 
LCS_GDT     E   167_B     E   167_B     14   46  281      7   11   16   40   53   72   94  131  146  162  190  227  252  260  267  270  271  272  273  274 
LCS_GDT     I   168_B     I   168_B     14   46  281      7   11   15   23   40   78   96  131  145  153  171  227  249  259  267  270  271  272  273  274 
LCS_GDT     L   169_B     L   169_B     14   46  281      7   12   36   75  118  133  140  143  160  204  234  253  256  260  267  270  271  272  273  274 
LCS_GDT     E   170_B     E   170_B     14   46  281      7   11   31   68  107  132  138  142  146  157  172  217  243  259  267  270  271  272  273  274 
LCS_GDT     A   171_B     A   171_B     14   46  281      6   11   16   35   60   95  115  134  144  149  154  165  181  203  235  263  271  272  273  274 
LCS_GDT     F   172_B     F   172_B     14   46  281      6   11   15   36   69  100  125  138  145  151  159  176  213  249  263  270  271  272  273  274 
LCS_GDT     G   173_B     G   173_B     14   46  281      7   11   15   30   52   88  116  134  142  149  154  165  185  222  251  263  271  272  273  274 
LCS_GDT     D   174_B     D   174_B     14   46  281      6   11   33   66   99  117  132  140  146  152  178  225  249  259  267  270  271  272  273  274 
LCS_GDT     D   175_B     D   175_B     14   46  281      6   11   29   60   99  126  137  142  146  183  208  242  255  260  267  270  271  272  273  274 
LCS_GDT     I   176_B     I   176_B     13   46  281      3   14   77  114  128  135  166  205  234  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     P   177_B     P   177_B     33   46  281      1   15   68  105  124  135  145  190  229  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     D   178_B     D   178_B     35   46  281     47   82  102  118  144  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     A   179_B     A   179_B     35   46  281     47   83  102  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     F   180_B     F   180_B     35   46  281     47   83  102  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     V   181_B     V   181_B     35   46  281     55   83  102  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     A   182_B     A   182_B     35   46  281     55   83  102  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     G   183_B     G   183_B     35   46  281     20   74  102  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     V   184_B     V   184_B     35   46  281     20   74  102  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     G   185_B     G   185_B     35   46  281     16   55   96  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     T   186_B     T   186_B     35   46  281      7   21   55   93  123  135  172  208  233  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     G   187_B     G   187_B     35   46  281      7   38   90  116  137  171  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     G   188_B     G   188_B     35   46  281      7   41   81   94  123  141  190  221  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     T   189_B     T   189_B     35   46  281      7   26   60   97  123  171  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     L   190_B     L   190_B     35   46  281     17   74  102  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     T   191_B     T   191_B     35   46  281     26   70  102  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     G   192_B     G   192_B     35   46  281     15   52   97  118  144  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     V   193_B     V   193_B     35   46  281     18   81  102  118  144  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     G   194_B     G   194_B     35   46  281     15   81  102  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     H   195_B     H   195_B     35   46  281     10   76  102  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     A   196_B     A   196_B     35   46  281     17   83  102  118  144  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     L   197_B     L   197_B     35   46  281     27   83  102  118  144  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     K   198_B     K   198_B     35   46  281     10   80  102  118  145  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     K   199_B     K   199_B     35   46  281     10   69  102  118  144  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     A   200_B     A   200_B     35   46  281     24   62   99  116  144  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     N   201_B     N   201_B     35   46  281      8   62   99  118  144  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     P   202_B     P   202_B     35   46  281      8   79  102  118  145  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     N   203_B     N   203_B     35   46  281     30   83  102  118  145  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     V   204_B     V   204_B     35   46  281     46   83  102  118  145  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     Q   205_B     Q   205_B     35   46  281     31   83  102  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     I   206_B     I   206_B     35   46  281     47   83  102  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     Y   207_B     Y   207_B     35   46  281     55   83  102  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     A   208_B     A   208_B     35   46  281     46   83  102  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     L   209_B     L   209_B     35   46  281     55   83  102  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     E   210_B     E   210_B     35   46  281     54   83  102  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     P   211_B     P   211_B     35   46  281     18   78  101  118  128  176  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     A   212_B     A   212_B     35   46  281     18   74  100  116  128  170  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     P   236_B     P   236_B      3   39  281      0    3    3   25   33   39   73  101  118  135  150  153  155  166  180  191  198  255  260  272 
LCS_GDT     K   237_B     K   237_B      3   77  281      0    3    3    4    7    9   37   89  110  127  146  153  156  162  180  191  215  255  260  272 
LCS_GDT     V   238_B     V   238_B      5   77  281      4    6   13   20   26   49   83   89  101  119  132  148  155  160  180  191  209  255  260  263 
LCS_GDT     L   239_B     L   239_B      6   77  281      4    6   13   39   87  115  137  142  152  179  197  224  249  258  267  270  271  272  273  274 
LCS_GDT     D   240_B     D   240_B     47   77  281      4   15   57   97  120  135  148  168  210  232  243  253  256  260  267  270  271  272  273  274 
LCS_GDT     T   241_B     T   241_B     68   77  281      8   49   93  118  137  171  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     D   242_B     D   242_B     68   77  281     26   83  102  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     V   243_B     V   243_B     68   77  281     15   83  102  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     Y   244_B     Y   244_B     68   77  281     26   83  102  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     N   245_B     N   245_B     68   77  281     31   83  102  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     G   246_B     G   246_B     68   77  281     38   83  102  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     I   247_B     I   247_B     68   77  281     55   83  102  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     L   248_B     L   248_B     68   77  281     55   83  102  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     E   249_B     E   249_B     68   77  281     55   83  102  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     I   250_B     I   250_B     68   77  281     55   83  102  118  139  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     K   251_B     K   251_B     68   77  281     55   83  102  118  128  161  198  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     S   252_B     S   252_B     68   77  281     55   83  102  118  128  161  198  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     D   253_B     D   253_B     68   77  281     55   83  102  118  128  161  186  222  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     D   254_B     D   254_B     68   77  281     55   83  102  118  131  169  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     A   255_B     A   255_B     68   77  281     55   83  102  118  135  181  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     I   256_B     I   256_B     68   77  281     55   83  102  118  128  161  197  222  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     T   257_B     T   257_B     68   77  281     55   83  102  118  128  161  201  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     M   258_B     M   258_B     68   77  281     55   83  102  118  132  181  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     A   259_B     A   259_B     68   77  281     55   83  102  118  135  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     R   260_B     R   260_B     68   77  281     55   83  102  118  128  162  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     E   261_B     E   261_B     68   77  281     55   83  102  118  131  181  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     V   262_B     V   262_B     68   77  281     55   83  102  118  145  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     G   263_B     G   263_B     68   77  281     55   83  102  118  145  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     H   264_B     H   264_B     68   77  281     55   83  102  118  141  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     Q   265_B     Q   265_B     68   77  281     55   83  102  118  143  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     E   266_B     E   266_B     68   77  281     55   83  102  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     G   267_B     G   267_B     68   77  281     55   83  102  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     I   268_B     I   268_B     68   77  281     55   83  102  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     L   269_B     L   269_B     68   77  281     55   83  102  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     V   270_B     V   270_B     68   77  281      9   83  102  118  142  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     G   271_B     G   271_B     68   77  281     55   83  102  118  128  161  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     I   272_B     I   272_B     68   77  281     55   83  102  118  128  172  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     S   273_B     S   273_B     68   77  281     55   83  102  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     A   274_B     A   274_B     68   77  281     55   83  102  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     G   275_B     G   275_B     68   77  281     55   83  102  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     A   276_B     A   276_B     68   77  281     55   83  102  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     N   277_B     N   277_B     68   77  281     55   83  102  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     I   278_B     I   278_B     68   77  281     55   83  102  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     K   279_B     K   279_B     68   77  281     55   83  102  118  145  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     G   280_B     G   280_B     68   77  281     55   83  102  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     A   281_B     A   281_B     68   77  281     55   83  102  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     I   282_B     I   282_B     68   77  281     55   83  102  118  145  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     E   283_B     E   283_B     68   77  281     40   78  102  118  145  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     V   284_B     V   284_B     68   77  281     28   78  102  118  144  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     A   285_B     A   285_B     68   77  281     40   79  102  118  137  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     K   286_B     K   286_B     68   77  281     28   78  102  118  130  181  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     K   287_B     K   287_B     68   77  281     14   56   92  110  128  139  201  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     L   288_B     L   288_B     68   77  281      5   68  100  118  128  135  200  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     G   289_B     G   289_B     68   77  281     12   38   63   90  123  139  201  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     K   290_B     K   290_B     68   77  281     15   59   86  118  128  157  201  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     G   291_B     G   291_B     68   77  281     17   82  102  118  128  157  201  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     K   292_B     K   292_B     68   77  281     22   82  102  118  128  172  201  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     Q   293_B     Q   293_B     68   77  281     55   83  102  118  144  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     V   294_B     V   294_B     68   77  281     46   83  102  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     I   295_B     I   295_B     68   77  281     55   83  102  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     T   296_B     T   296_B     68   77  281     55   83  102  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     V   297_B     V   297_B     68   77  281     55   83  102  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     A   298_B     A   298_B     68   77  281     55   83  102  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     P   299_B     P   299_B     68   77  281     55   83  102  118  146  182  202  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     D   300_B     D   300_B     68   77  281     16   73  102  118  128  140  176  216  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     G   301_B     G   301_B     68   77  281     16   78  102  118  128  140  187  218  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     G   302_B     G   302_B     68   77  281     22   79  102  118  128  135  175  214  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     D   303_B     D   303_B     68   77  281     31   83  102  118  128  154  201  223  235  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     R   304_B     R   304_B     68   77  281      8   74  102  118  128  135  152  205  230  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     Y   305_B     Y   305_B     68   77  281     17   79  102  118  128  135  145  183  228  239  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     L   306_B     L   306_B     68   77  281     47   83  102  118  128  135  154  203  230  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     S   307_B     S   307_B     68   77  281     16   79  102  118  128  135  141  155  181  216  243  250  255  260  267  270  271  272  273  274 
LCS_GDT     T   308_B     T   308_B     68   77  281      8   68   97  113  128  135  140  148  164  196  234  250  255  260  267  270  271  272  273  274 
LCS_GDT     E   309_B     E   309_B     68   77  281      8   36   88  106  125  135  140  145  161  185  221  239  255  260  267  270  271  272  273  274 
LCS_GDT     L   310_B     L   310_B     68   77  281      9   61   97  113  128  135  144  166  202  236  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     F   311_B     F   311_B     68   77  281     12   72   98  118  128  135  147  185  215  241  246  253  256  260  267  270  271  272  273  274 
LCS_GDT     N   312_B     N   312_B     24   77  281      4   21   49   97  118  131  140  145  167  185  221  238  255  260  267  270  271  272  273  274 
LCS_GDT     Y   313_B     Y   313_B     24   77  281      3   21   47   96  114  131  138  150  167  185  221  238  255  260  267  270  271  272  273  274 
LCS_AVERAGE  LCS_A:  49.64  (  19.13   29.79  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     55     83    102    118    146    182    202    223    235    241    246    253    256    260    267    270    271    272    273    274 
GDT PERCENT_AT  19.57  29.54  36.30  41.99  51.96  64.77  71.89  79.36  83.63  85.77  87.54  90.04  91.10  92.53  95.02  96.09  96.44  96.80  97.15  97.51
GDT RMS_LOCAL    4.28   0.56   0.78   1.01   1.61   1.98   2.16   2.40   2.53   2.67   2.75   2.94   3.02   3.17   3.43   3.52   3.54   3.59   3.64   3.71
GDT RMS_ALL_AT   7.08   6.60   6.83   6.70   4.60   4.46   4.45   4.44   4.44   4.42   4.42   4.39   4.39   4.38   4.37   4.37   4.37   4.37   4.37   4.37

# Checking swapping
#   possible swapping detected:  Y    38_B      Y    38_B
#   possible swapping detected:  E    42_B      E    42_B
#   possible swapping detected:  F    43_B      F    43_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   138_B      E   138_B
#   possible swapping detected:  F   151_B      F   151_B
#   possible swapping detected:  E   170_B      E   170_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   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:  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    19.338     0    0.572   1.493    20.513    0.000    0.000
LGA    H     7_B      H     7_B    18.137     0    0.565   1.234    23.154    0.000    0.000
LGA    T     8_B      T     8_B    11.585     0    0.238   0.904    13.916    0.119    0.272
LGA    K     9_B      K     9_B     7.301     4    0.239   0.337     8.677   20.595    9.947
LGA    I    10_B      I    10_B     3.925     0    0.109   0.604     6.831   33.214   26.964
LGA    T    11_B      T    11_B     2.636     0    0.065   1.086     3.083   57.143   57.211
LGA    N    12_B      N    12_B     2.630     0    0.139   1.375     6.833   60.952   44.702
LGA    S    13_B      S    13_B     2.296     0    0.107   0.131     2.486   66.786   67.460
LGA    I    14_B      I    14_B     1.674     0    0.097   0.135     2.041   75.119   74.048
LGA    V    15_B      V    15_B     0.833     0    0.048   1.321     2.777   83.690   77.075
LGA    N    16_B      N    16_B     2.226     0    0.130   0.179     2.698   64.881   61.964
LGA    L    17_B      L    17_B     2.320     0    0.048   0.187     3.040   61.071   65.952
LGA    I    18_B      I    18_B     2.534     0    0.063   0.092     3.288   55.476   60.298
LGA    G    19_B      G    19_B     4.120     0    0.683   0.683     4.659   38.810   38.810
LGA    N    20_B      N    20_B     4.150     0    0.112   0.884     6.431   41.905   33.155
LGA    T    21_B      T    21_B     3.649     0    0.023   0.197     4.369   45.119   43.469
LGA    P    22_B      P    22_B     2.488     0    0.034   0.162     3.083   62.857   60.476
LGA    I    23_B      I    23_B     1.831     0    0.115   0.166     3.428   70.833   65.000
LGA    V    24_B      V    24_B     1.358     0    0.108   1.156     3.735   81.429   73.605
LGA    K    25_B      K    25_B     1.379     0    0.018   0.649     4.077   81.429   70.000
LGA    L    26_B      L    26_B     1.144     0    0.057   0.116     1.429   81.429   81.429
LGA    N    27_B      N    27_B     2.356     0    0.381   1.151     4.452   59.524   54.940
LGA    R    28_B      R    28_B     2.511     0    0.042   1.198     3.926   60.952   59.394
LGA    V    29_B      V    29_B     2.238     0    0.101   1.218     3.012   64.762   62.721
LGA    V    30_B      V    30_B     2.299     0    0.340   1.423     3.781   62.857   58.503
LGA    P    31_B      P    31_B     4.664     0    0.494   0.501     6.281   33.095   30.408
LGA    E    32_B      E    32_B     6.101     4    0.484   0.455     8.385   15.357    7.937
LGA    D    33_B      D    33_B     5.648     0    0.701   0.929     8.479   30.595   18.929
LGA    A    34_B      A    34_B     2.734     0    0.601   0.584     3.983   57.143   54.381
LGA    A    35_B      A    35_B     2.895     0    0.037   0.067     2.990   60.952   60.190
LGA    D    36_B      D    36_B     2.058     0    0.059   0.232     3.725   68.810   62.202
LGA    V    37_B      V    37_B     1.114     0    0.046   0.090     1.381   83.690   86.599
LGA    Y    38_B      Y    38_B     1.407     0    0.034   0.168     2.146   81.429   75.040
LGA    V    39_B      V    39_B     1.459     0    0.055   1.040     2.875   77.143   73.129
LGA    K    40_B      K    40_B     1.955     0    0.027   0.484     4.674   72.857   59.259
LGA    L    41_B      L    41_B     2.221     0    0.140   0.132     3.438   59.167   65.000
LGA    E    42_B      E    42_B     2.511     0    0.114   1.139     5.793   59.048   53.545
LGA    F    43_B      F    43_B     3.496     0    0.074   0.185     6.000   43.571   33.766
LGA    F    44_B      F    44_B     4.664     0    0.102   0.795     8.666   27.976   18.745
LGA    N    45_B      N    45_B     4.461     0    0.123   1.090     5.450   40.357   36.667
LGA    P    46_B      P    46_B     5.695     0    0.068   0.122     7.925   26.548   20.068
LGA    G    47_B      G    47_B     2.079     0    0.273   0.273     5.567   50.238   50.238
LGA    G    48_B      G    48_B     3.893     0    0.075   0.075     5.387   40.952   40.952
LGA    S    49_B      S    49_B     3.360     0    0.046   0.548     3.443   50.000   51.190
LGA    I    50_B      I    50_B     3.389     0    0.136   1.157     5.777   51.786   48.274
LGA    K    51_B      K    51_B     3.497     2    0.129   0.805     4.177   50.119   37.566
LGA    D    52_B      D    52_B     2.530     0    0.066   0.099     4.382   65.000   55.119
LGA    R    53_B      R    53_B     0.645     0    0.080   0.916     7.545   83.690   52.554
LGA    I    54_B      I    54_B     2.324     0    0.074   1.286     6.109   64.881   53.095
LGA    A    55_B      A    55_B     2.617     0    0.042   0.066     3.119   62.857   60.286
LGA    L    56_B      L    56_B     1.321     0    0.035   0.126     1.677   81.548   86.012
LGA    A    57_B      A    57_B     1.382     0    0.063   0.101     1.731   81.429   79.714
LGA    M    58_B      M    58_B     1.697     0    0.054   0.322     2.823   75.000   67.976
LGA    I    59_B      I    59_B     1.301     0    0.037   0.606     2.138   83.690   80.476
LGA    E    60_B      E    60_B     1.193     0    0.033   0.404     1.405   81.429   85.503
LGA    E    61_B      E    61_B     1.168     0    0.051   0.880     4.034   81.429   63.810
LGA    A    62_B      A    62_B     0.800     0    0.040   0.054     0.963   90.476   90.476
LGA    E    63_B      E    63_B     0.974     0    0.084   0.292     1.686   90.476   83.545
LGA    K    64_B      K    64_B     1.095     4    0.040   0.069     1.345   83.690   47.249
LGA    A    65_B      A    65_B     1.018     0    0.272   0.266     1.672   81.548   79.810
LGA    G    66_B      G    66_B     0.956     0    0.152   0.152     1.169   88.214   88.214
LGA    K    67_B      K    67_B     0.829     4    0.157   0.171     1.561   83.810   46.296
LGA    L    68_B      L    68_B     0.838     0    0.097   1.381     3.595   85.952   76.905
LGA    Q    69_B      Q    69_B     1.545     4    0.076   0.137     1.782   75.000   41.429
LGA    A    70_B      A    70_B     2.305     0    0.037   0.064     2.773   68.810   66.476
LGA    G    71_B      G    71_B     2.409     0    0.195   0.195     2.471   64.762   64.762
LGA    G    72_B      G    72_B     1.934     0    0.062   0.062     2.027   70.833   70.833
LGA    T    73_B      T    73_B     1.624     0    0.039   0.086     1.925   72.857   74.082
LGA    I    74_B      I    74_B     1.114     0    0.027   0.149     1.478   85.952   85.952
LGA    V    75_B      V    75_B     1.051     0    0.027   1.216     2.461   88.214   80.544
LGA    E    76_B      E    76_B     0.871     0    0.085   0.271     0.994   90.476   90.476
LGA    P    77_B      P    77_B     1.329     0    0.096   0.307     1.772   81.429   80.204
LGA    T    78_B      T    78_B     1.276     0    0.255   0.514     2.509   75.357   76.735
LGA    S    79_B      S    79_B     1.297     0    0.683   0.855     2.915   75.357   75.952
LGA    G    80_B      G    80_B     1.967     0    0.040   0.040     1.967   75.000   75.000
LGA    N    81_B      N    81_B     1.926     3    0.065   0.102     2.774   68.810   41.548
LGA    T    82_B      T    82_B     2.202     0    0.090   0.197     3.017   66.786   61.633
LGA    G    83_B      G    83_B     1.187     0    0.040   0.040     1.387   81.429   81.429
LGA    V    84_B      V    84_B     1.448     0    0.050   1.080     3.868   77.143   72.313
LGA    G    85_B      G    85_B     2.037     0    0.026   0.026     2.111   68.810   68.810
LGA    L    86_B      L    86_B     1.715     0    0.039   1.386     2.648   72.857   73.274
LGA    A    87_B      A    87_B     1.259     0    0.052   0.058     1.500   79.286   79.714
LGA    M    88_B      M    88_B     2.051     0    0.103   0.885     2.933   66.786   67.083
LGA    V    89_B      V    89_B     2.579     0    0.051   0.174     2.964   60.952   59.320
LGA    A    90_B      A    90_B     2.179     0    0.066   0.069     2.544   62.857   64.857
LGA    A    91_B      A    91_B     1.832     0    0.034   0.039     2.486   68.810   69.619
LGA    A    92_B      A    92_B     2.948     0    0.035   0.047     3.425   55.476   54.381
LGA    K    93_B      K    93_B     2.977     0    0.065   0.743     3.224   55.357   58.201
LGA    G    94_B      G    94_B     2.781     0    0.160   0.160     2.781   60.952   60.952
LGA    Y    95_B      Y    95_B     1.763     0    0.066   0.112     2.044   70.833   72.183
LGA    H    96_B      H    96_B     1.481     0    0.058   0.346     2.306   79.286   74.667
LGA    L    97_B      L    97_B     0.892     0    0.029   1.032     2.635   88.214   83.155
LGA    V    98_B      V    98_B     0.985     0    0.030   0.109     1.349   90.476   86.599
LGA    I    99_B      I    99_B     0.742     0    0.043   1.424     4.070   85.952   75.119
LGA    T   100_B      T   100_B     1.660     0    0.025   0.092     2.078   75.000   72.925
LGA    M   101_B      M   101_B     1.925     0    0.062   0.571     2.088   70.833   72.917
LGA    P   102_B      P   102_B     2.372     0    0.060   0.272     2.471   64.762   65.918
LGA    E   103_B      E   103_B     2.255     0    0.070   0.628     3.561   64.762   56.614
LGA    T   104_B      T   104_B     2.669     0    0.138   1.216     5.647   57.262   46.667
LGA    M   105_B      M   105_B     3.090     0    0.057   1.089     4.081   50.119   50.238
LGA    S   106_B      S   106_B     3.682     0    0.481   0.707     6.088   53.810   43.095
LGA    V   107_B      V   107_B     3.490     0    0.638   0.969     6.794   43.690   40.612
LGA    E   108_B      E   108_B     2.886     0    0.067   1.110     4.373   61.190   52.116
LGA    R   109_B      R   109_B     1.170     4    0.068   0.696     1.924   79.286   51.082
LGA    R   110_B      R   110_B     1.481     0    0.087   1.155     3.780   81.429   74.978
LGA    K   111_B      K   111_B     1.495     0    0.040   0.970     2.680   79.286   76.878
LGA    L   112_B      L   112_B     1.184     0    0.071   1.064     2.567   85.952   77.500
LGA    M   113_B      M   113_B     0.770     0    0.044   0.379     1.243   90.476   89.345
LGA    Q   114_B      Q   114_B     0.743     0    0.014   0.634     4.748   90.476   68.677
LGA    G   115_B      G   115_B     1.005     0    0.081   0.081     1.312   85.952   85.952
LGA    Y   116_B      Y   116_B     0.728     0    0.186   0.195     1.522   88.214   85.238
LGA    G   117_B      G   117_B     0.599     0    0.089   0.089     1.128   88.214   88.214
LGA    A   118_B      A   118_B     0.309     0    0.044   0.051     0.507   97.619   98.095
LGA    E   119_B      E   119_B     0.995     0    0.057   0.642     1.806   85.952   83.492
LGA    L   120_B      L   120_B     1.091     0    0.023   0.832     2.611   79.286   76.369
LGA    I   121_B      I   121_B     1.816     1    0.077   0.092     2.389   72.857   60.714
LGA    L   122_B      L   122_B     2.105     0    0.031   0.955     3.748   64.881   64.226
LGA    T   123_B      T   123_B     2.806     0    0.108   0.108     2.984   57.143   57.143
LGA    P   124_B      P   124_B     3.705     0    0.033   0.114     4.177   43.333   41.565
LGA    G   125_B      G   125_B     3.874     0    0.053   0.053     4.401   40.238   40.238
LGA    A   126_B      A   126_B     5.367     0    0.067   0.078     5.801   26.310   25.333
LGA    D   127_B      D   127_B     4.060     0    0.034   0.394     5.199   40.238   38.869
LGA    G   128_B      G   128_B     3.678     0    0.083   0.083     3.793   46.667   46.667
LGA    M   129_B      M   129_B     2.989     0    0.049   0.499     3.811   55.357   52.738
LGA    K   130_B      K   130_B     3.385     4    0.067   0.125     3.483   50.000   27.778
LGA    G   131_B      G   131_B     3.552     0    0.037   0.037     3.583   46.667   46.667
LGA    A   132_B      A   132_B     2.320     0    0.046   0.065     2.833   64.881   64.857
LGA    I   133_B      I   133_B     1.907     0    0.105   1.491     4.169   68.810   65.357
LGA    A   134_B      A   134_B     2.728     0    0.055   0.068     2.983   57.143   57.143
LGA    K   135_B      K   135_B     2.730     0    0.042   1.067     4.461   57.143   52.011
LGA    A   136_B      A   136_B     2.028     0    0.066   0.093     2.301   64.762   66.381
LGA    E   137_B      E   137_B     1.883     2    0.059   0.673     3.079   66.786   49.683
LGA    E   138_B      E   138_B     2.411     0    0.033   1.043     6.919   64.762   44.339
LGA    L   139_B      L   139_B     2.583     0    0.039   0.357     3.920   59.048   55.476
LGA    V   140_B      V   140_B     2.362     0    0.117   0.161     2.439   64.762   64.762
LGA    K   141_B      K   141_B     1.965     4    0.025   0.072     2.155   68.810   38.677
LGA    E   142_B      E   142_B     2.116     4    0.143   0.199     2.208   68.810   37.778
LGA    K   143_B      K   143_B     2.025     4    0.072   0.087     2.135   64.762   36.878
LGA    G   144_B      G   144_B     2.001     0    0.048   0.048     2.037   68.810   68.810
LGA    Y   145_B      Y   145_B     1.483     0    0.023   0.324     1.818   77.143   84.563
LGA    F   146_B      F   146_B     1.215     0    0.067   0.147     1.318   81.429   83.896
LGA    M   147_B      M   147_B     0.840     0    0.087   0.748     1.968   90.476   87.143
LGA    P   148_B      P   148_B     1.057     0    0.644   0.755     2.267   77.262   80.340
LGA    M   149_B      M   149_B     2.966     3    0.301   0.330     3.519   67.143   38.988
LGA    Q   150_B      Q   150_B     2.966     4    0.657   0.612     4.802   53.690   27.354
LGA    F   151_B      F   151_B     2.827     0    0.022   1.095    11.129   68.929   29.654
LGA    D   152_B      D   152_B     4.463     3    0.096   0.130     6.470   34.405   19.345
LGA    N   153_B      N   153_B     7.328     3    0.094   0.130     8.407   14.643    7.917
LGA    P   154_B      P   154_B     8.056     0    0.248   0.381     9.255    3.452    3.197
LGA    A   155_B      A   155_B    12.507     0    0.561   0.569    14.401    0.000    0.000
LGA    H   160_B      H   160_B    12.107     5    0.625   0.610    12.948    0.000    0.000
LGA    E   161_B      E   161_B     7.850     0    0.145   0.685     9.212    7.143   13.333
LGA    E   162_B      E   162_B     7.059     0    0.040   1.040     9.814   10.833    6.931
LGA    T   163_B      T   163_B     8.716     0    0.094   0.987    11.639    3.333    2.381
LGA    T   164_B      T   164_B     9.414     0    0.053   0.129    10.424    2.143    1.293
LGA    G   165_B      G   165_B     7.206     0    0.046   0.046     7.840   10.119   10.119
LGA    K   166_B      K   166_B     6.911     4    0.053   0.080     7.712   10.238    6.032
LGA    E   167_B      E   167_B     9.277     0    0.029   0.948    10.125    2.024    1.481
LGA    I   168_B      I   168_B     9.297     0    0.041   0.167     9.660    1.786    1.369
LGA    L   169_B      L   169_B     7.685     0    0.043   1.260     8.699    4.881   12.976
LGA    E   170_B      E   170_B     9.519     0    0.025   1.011    13.364    0.833    0.582
LGA    A   171_B      A   171_B    11.132     0    0.131   0.130    11.896    0.000    0.000
LGA    F   172_B      F   172_B     9.853     0    0.113   0.299    10.544    0.119    0.519
LGA    G   173_B      G   173_B    10.745     0    0.099   0.099    10.751    0.000    0.000
LGA    D   174_B      D   174_B     8.962     0    0.102   0.859    13.323    2.500    1.310
LGA    D   175_B      D   175_B     8.169     0    0.333   0.386     9.925    5.595    3.571
LGA    I   176_B      I   176_B     5.080     0    0.118   1.171     5.847   32.024   29.167
LGA    P   177_B      P   177_B     5.465     0    0.434   0.675     7.660   27.500   20.544
LGA    D   178_B      D   178_B     2.688     0    0.044   0.207     4.862   63.333   51.131
LGA    A   179_B      A   179_B     1.623     0    0.033   0.055     1.970   72.857   74.571
LGA    F   180_B      F   180_B     1.571     0    0.040   0.082     2.214   77.143   71.472
LGA    V   181_B      V   181_B     1.277     0    0.036   0.096     1.472   81.429   84.014
LGA    A   182_B      A   182_B     1.775     0    0.036   0.063     2.012   72.857   71.238
LGA    G   183_B      G   183_B     1.842     0    0.046   0.046     1.842   72.857   72.857
LGA    V   184_B      V   184_B     2.077     0    0.096   1.183     4.560   64.881   62.449
LGA    G   185_B      G   185_B     2.634     0    0.174   0.174     4.028   50.595   50.595
LGA    T   186_B      T   186_B     5.215     0    0.042   0.085     6.743   27.738   23.265
LGA    G   187_B      G   187_B     3.635     0    0.054   0.054     4.091   41.786   41.786
LGA    G   188_B      G   188_B     4.738     0    0.085   0.085     4.738   35.714   35.714
LGA    T   189_B      T   189_B     3.975     0    0.041   0.136     4.907   45.119   40.068
LGA    L   190_B      L   190_B     2.488     0    0.034   0.843     2.807   62.857   69.107
LGA    T   191_B      T   191_B     2.597     0    0.025   0.162     3.516   57.143   53.129
LGA    G   192_B      G   192_B     3.321     0    0.029   0.029     3.321   50.000   50.000
LGA    V   193_B      V   193_B     3.122     0    0.057   1.138     3.793   53.571   53.197
LGA    G   194_B      G   194_B     2.132     0    0.071   0.071     2.383   66.786   66.786
LGA    H   195_B      H   195_B     2.167     0    0.040   1.121     6.619   64.762   49.286
LGA    A   196_B      A   196_B     3.078     0    0.020   0.053     3.514   53.571   51.524
LGA    L   197_B      L   197_B     2.680     0    0.033   0.116     2.820   57.143   58.095
LGA    K   198_B      K   198_B     2.216     0    0.036   0.645     2.914   64.762   63.968
LGA    K   199_B      K   199_B     2.854     2    0.043   0.485     4.131   57.143   40.000
LGA    A   200_B      A   200_B     2.835     0    0.046   0.066     3.087   57.143   55.714
LGA    N   201_B      N   201_B     2.722     0    0.098   0.725     3.407   60.952   64.048
LGA    P   202_B      P   202_B     2.190     0    0.111   0.130     2.488   64.762   64.762
LGA    N   203_B      N   203_B     2.302     0    0.191   1.108     4.294   66.786   63.333
LGA    V   204_B      V   204_B     2.273     0    0.031   0.955     4.080   68.810   58.980
LGA    Q   205_B      Q   205_B     1.598     0    0.070   1.206     2.891   72.857   72.116
LGA    I   206_B      I   206_B     1.601     0    0.028   0.598     3.393   77.143   72.143
LGA    Y   207_B      Y   207_B     1.318     0    0.040   0.199     1.473   81.429   82.937
LGA    A   208_B      A   208_B     1.613     0    0.100   0.114     1.877   79.286   78.000
LGA    L   209_B      L   209_B     1.702     0    0.027   1.299     4.026   68.810   64.405
LGA    E   210_B      E   210_B     2.576     0    0.058   0.536     3.666   59.048   55.714
LGA    P   211_B      P   211_B     3.287     0    0.055   0.372     3.576   50.000   50.068
LGA    A   212_B      A   212_B     3.516     0    0.560   0.509     3.892   46.667   46.000
LGA    P   236_B      P   236_B    14.453     0    0.495   0.697    15.590    0.000    0.000
LGA    K   237_B      K   237_B    14.897     0    0.533   0.771    19.438    0.000    0.000
LGA    V   238_B      V   238_B    14.601     0    0.636   0.849    17.043    0.000    0.000
LGA    L   239_B      L   239_B     8.837     0    0.071   1.434    10.887    2.262    6.905
LGA    D   240_B      D   240_B     7.110     0    0.041   0.160     8.364   18.690   13.869
LGA    T   241_B      T   241_B     3.617     0    0.217   0.212     5.852   51.190   40.544
LGA    D   242_B      D   242_B     2.589     0    0.086   0.211     3.918   60.952   53.810
LGA    V   243_B      V   243_B     2.078     0    0.155   0.743     3.293   68.810   68.503
LGA    Y   244_B      Y   244_B     1.129     0    0.093   0.539     2.654   85.952   74.683
LGA    N   245_B      N   245_B     1.044     0    0.123   0.164     1.650   79.286   81.488
LGA    G   246_B      G   246_B     1.351     0    0.026   0.026     1.351   83.690   83.690
LGA    I   247_B      I   247_B     1.415     0    0.021   1.237     2.971   79.286   72.143
LGA    L   248_B      L   248_B     1.312     0    0.044   0.145     1.662   77.143   82.679
LGA    E   249_B      E   249_B     2.223     0    0.034   0.934     5.242   66.786   54.603
LGA    I   250_B      I   250_B     2.762     0    0.072   0.121     3.352   53.571   60.238
LGA    K   251_B      K   251_B     3.988     2    0.092   0.618     4.545   45.000   32.434
LGA    S   252_B      S   252_B     4.047     0    0.043   0.573     5.133   38.690   36.349
LGA    D   253_B      D   253_B     4.296     0    0.042   0.925     7.835   37.143   30.060
LGA    D   254_B      D   254_B     3.502     0    0.037   0.750     5.441   46.667   43.690
LGA    A   255_B      A   255_B     3.068     0    0.053   0.088     3.300   50.000   50.000
LGA    I   256_B      I   256_B     4.117     0    0.028   0.532     5.697   38.690   33.810
LGA    T   257_B      T   257_B     4.142     0    0.071   1.174     6.637   40.238   35.510
LGA    M   258_B      M   258_B     3.056     0    0.050   0.289     3.501   51.905   53.631
LGA    A   259_B      A   259_B     2.966     0    0.072   0.078     3.175   51.786   51.429
LGA    R   260_B      R   260_B     3.732     0    0.022   1.182     8.433   43.333   28.831
LGA    E   261_B      E   261_B     3.342     0    0.066   1.028     5.891   51.786   42.169
LGA    V   262_B      V   262_B     2.358     0    0.047   0.928     3.710   62.857   59.524
LGA    G   263_B      G   263_B     2.445     0    0.064   0.064     2.461   64.762   64.762
LGA    H   264_B      H   264_B     2.860     0    0.028   0.926     4.633   57.143   53.429
LGA    Q   265_B      Q   265_B     2.494     0    0.095   0.554     3.326   62.857   59.841
LGA    E   266_B      E   266_B     1.761     0    0.063   0.287     1.956   75.000   73.810
LGA    G   267_B      G   267_B     1.721     0    0.103   0.103     1.872   72.857   72.857
LGA    I   268_B      I   268_B     1.603     0    0.030   0.241     2.102   70.833   75.060
LGA    L   269_B      L   269_B     2.672     0    0.110   0.171     4.008   57.262   51.250
LGA    V   270_B      V   270_B     3.017     0    0.039   0.106     3.422   51.786   52.041
LGA    G   271_B      G   271_B     3.640     0    0.054   0.054     3.640   48.333   48.333
LGA    I   272_B      I   272_B     3.415     0    0.045   1.193     6.699   50.119   39.702
LGA    S   273_B      S   273_B     2.828     0    0.098   0.513     3.254   59.167   56.111
LGA    A   274_B      A   274_B     1.922     0    0.066   0.062     2.156   72.976   72.952
LGA    G   275_B      G   275_B     2.258     0    0.032   0.032     2.258   64.762   64.762
LGA    A   276_B      A   276_B     2.263     0    0.047   0.065     2.629   68.810   66.476
LGA    N   277_B      N   277_B     1.488     0    0.032   0.260     2.225   79.286   76.131
LGA    I   278_B      I   278_B     1.217     0    0.064   0.627     2.690   81.429   78.393
LGA    K   279_B      K   279_B     1.780     0    0.054   0.868     5.608   72.857   58.783
LGA    G   280_B      G   280_B     1.022     0    0.044   0.044     1.286   85.952   85.952
LGA    A   281_B      A   281_B     0.935     0    0.016   0.031     1.684   83.810   85.143
LGA    I   282_B      I   282_B     1.857     0    0.045   0.397     3.970   72.976   64.345
LGA    E   283_B      E   283_B     2.088     0    0.082   0.725     2.820   64.881   65.767
LGA    V   284_B      V   284_B     2.313     0    0.046   0.953     3.060   61.190   60.544
LGA    A   285_B      A   285_B     2.850     0    0.040   0.065     3.629   51.905   52.952
LGA    K   286_B      K   286_B     3.558     0    0.042   0.814     5.485   43.452   42.222
LGA    K   287_B      K   287_B     4.397     2    0.087   0.735     4.838   35.833   37.196
LGA    L   288_B      L   288_B     4.468     0    0.604   0.680     6.084   30.714   32.560
LGA    G   289_B      G   289_B     3.799     0    0.093   0.093     3.918   43.333   43.333
LGA    K   290_B      K   290_B     4.179     2    0.057   0.411     6.444   40.238   26.825
LGA    G   291_B      G   291_B     4.121     0    0.065   0.065     4.173   40.238   40.238
LGA    K   292_B      K   292_B     3.585     0    0.092   0.635     6.641   46.667   35.661
LGA    Q   293_B      Q   293_B     2.836     0    0.113   0.848     8.005   60.952   38.201
LGA    V   294_B      V   294_B     1.412     0    0.082   1.080     3.320   79.286   74.490
LGA    I   295_B      I   295_B     1.536     0    0.040   0.693     2.768   79.286   74.107
LGA    T   296_B      T   296_B     1.283     0    0.094   0.279     1.382   81.429   84.014
LGA    V   297_B      V   297_B     1.994     0    0.033   1.063     3.996   70.833   68.844
LGA    A   298_B      A   298_B     2.235     0    0.090   0.099     2.976   60.952   61.714
LGA    P   299_B      P   299_B     2.941     0    0.042   0.287     4.155   50.595   52.381
LGA    D   300_B      D   300_B     4.631     0    0.094   0.133     6.857   40.476   31.190
LGA    G   301_B      G   301_B     4.462     0    0.083   0.083     5.109   31.548   31.548
LGA    G   302_B      G   302_B     4.661     0    0.037   0.037     4.979   32.857   32.857
LGA    D   303_B      D   303_B     3.971     0    0.165   0.916     5.088   35.833   37.440
LGA    R   304_B      R   304_B     5.513     6    0.073   0.087     6.144   22.857   10.693
LGA    Y   305_B      Y   305_B     5.950     0    0.145   0.341     6.571   18.333   21.190
LGA    L   306_B      L   306_B     5.590     0    0.027   0.246     6.390   19.286   25.417
LGA    S   307_B      S   307_B     7.576     0    0.036   0.057     8.347    8.095    7.381
LGA    T   308_B      T   308_B     7.953     0    0.052   0.280     7.953    7.143    7.143
LGA    E   309_B      E   309_B     8.443     3    0.125   0.672     9.731    5.952    2.857
LGA    L   310_B      L   310_B     6.519     0    0.054   0.964     7.279   14.405   21.071
LGA    F   311_B      F   311_B     6.206     0    0.143   0.343     6.894   15.238   28.442
LGA    N   312_B      N   312_B     8.837     0    0.347   1.476    12.069    3.929    2.143
LGA    Y   313_B      Y   313_B     9.059     0    0.634   1.158    12.226    2.143    1.587

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      281    1124   1124  100.00    1997   1997  100.00               281
SUMMARY(RMSD_GDC):     4.354          4.317                  4.747           55.852   51.801

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  313  281    4.0    223    2.40    61.744    57.059     8.911

LGA_LOCAL      RMSD:   2.403  Number of atoms:  223  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   4.440  Number of assigned atoms:  281 
Std_ASGN_ATOMS RMSD:   4.354  Standard rmsd on all 281 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.407585 * X  +   0.562102 * Y  +   0.719664 * Z  +  16.434832
  Y_new =   0.909210 * X  +   0.176509 * Y  +   0.377070 * Z  + -22.655521
  Z_new =   0.084924 * X  +   0.808014 * Y  +  -0.583011 * Z  +  25.405174 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.992223 -0.085027  2.195830   [DEG:  114.1460   -4.8717  125.8118 ]
ZXZ:  2.053422  2.193226  0.104718   [DEG:  117.6524  125.6626    5.9999 ]
 
# END of job
