
#######################################################
#                                                     #
#                        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  306 ( 2259),  selected  279 , name one
# Molecule2: number of CA atoms  281 ( 1997),  selected  279 , 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:   279       8_B - 313_B       3.91     3.91
  LCS_AVERAGE:     99.29

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   141      11_B - 151_B       1.99     4.25
  LCS_AVERAGE:     40.32

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   101      50_B - 150_B       1.00     5.05
  LONGEST_CONTINUOUS_SEGMENT:   101      51_B - 151_B       0.99     5.03
  LCS_AVERAGE:     23.40

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  279
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     T     8_B     T     8_B     13   16  279     16   63   99  124  142  168  197  226  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     K     9_B     K     9_B     13   16  279     16   65   99  124  142  168  198  230  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     I    10_B     I    10_B     13  140  279     29   72   99  124  143  173  207  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     T    11_B     T    11_B     13  141  279      8   72   99  124  147  176  216  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     N    12_B     N    12_B     13  141  279      8   12   99  124  147  176  216  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     S    13_B     S    13_B     13  141  279      8   12   99  124  157  191  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     I    14_B     I    14_B     13  141  279      8   78   99  124  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     V    15_B     V    15_B     13  141  279     33   77   99  124  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     N    16_B     N    16_B     13  141  279     53   80   99  124  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     L    17_B     L    17_B     13  141  279      7   77   99  124  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     I    18_B     I    18_B     29  141  279     10   77  111  124  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     G    19_B     G    19_B     29  141  279      4   47  114  126  132  144  207  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     N    20_B     N    20_B     29  141  279      4   98  115  126  132  144  215  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     T    21_B     T    21_B     29  141  279     61   99  115  126  145  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     P    22_B     P    22_B     29  141  279     66   99  115  126  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     I    23_B     I    23_B     29  141  279     65   99  115  126  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     V    24_B     V    24_B     29  141  279     75   99  115  126  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     K    25_B     K    25_B     29  141  279     75   99  115  126  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     L    26_B     L    26_B     29  141  279     75   99  115  126  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     N    27_B     N    27_B     29  141  279     37   99  115  126  153  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     R    28_B     R    28_B     29  141  279     75   99  115  126  153  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     V    29_B     V    29_B     29  141  279     75   99  115  126  153  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     V    30_B     V    30_B     29  141  279     75   99  115  126  154  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     P    31_B     P    31_B     29  141  279     75   99  115  126  152  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     E    32_B     E    32_B     29  141  279     75   99  115  126  134  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     D    33_B     D    33_B     29  141  279     75   99  115  126  135  192  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     A    34_B     A    34_B     29  141  279     75   99  115  126  152  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     A    35_B     A    35_B     29  141  279     75   99  115  126  153  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     D    36_B     D    36_B     29  141  279     75   99  115  126  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     V    37_B     V    37_B     29  141  279     75   99  115  126  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     Y    38_B     Y    38_B     29  141  279     75   99  115  126  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     V    39_B     V    39_B     29  141  279     75   99  115  126  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     K    40_B     K    40_B     29  141  279     75   99  115  126  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     L    41_B     L    41_B     29  141  279     75   99  115  126  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     E    42_B     E    42_B     29  141  279     74   99  115  126  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     F    43_B     F    43_B     29  141  279     42   99  115  126  148  190  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     F    44_B     F    44_B     29  141  279     21   90  112  126  138  165  197  233  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     N    45_B     N    45_B     29  141  279     54   92  113  126  132  155  196  233  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     P    46_B     P    46_B     29  141  279      4   16   40  123  132  137  146  192  238  246  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     G    47_B     G    47_B     33  141  279     17   71   94  109  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     G    48_B     G    48_B     33  141  279      4   22   30   69   99  163  200  231  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     S    49_B     S    49_B     33  141  279      4   27   64   96  118  178  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     I    50_B     I    50_B    101  141  279      3   27   61   96  109  178  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     K    51_B     K    51_B    101  141  279      8   22   79  100  119  178  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     D    52_B     D    52_B    101  141  279     39   77   97  115  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     R    53_B     R    53_B    101  141  279     19   77   99  124  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     I    54_B     I    54_B    101  141  279      9   42   91  114  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     A    55_B     A    55_B    101  141  279      9   53   94  114  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     L    56_B     L    56_B    101  141  279     53   80   99  124  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     A    57_B     A    57_B    101  141  279     28   80   99  124  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     M    58_B     M    58_B    101  141  279     27   80   99  124  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     I    59_B     I    59_B    101  141  279     51   80   99  124  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     E    60_B     E    60_B    101  141  279     53   80   99  124  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     E    61_B     E    61_B    101  141  279     51   80   99  124  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     A    62_B     A    62_B    101  141  279     53   80   99  124  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     E    63_B     E    63_B    101  141  279     47   80   99  124  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     K    64_B     K    64_B    101  141  279     40   80   99  124  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     A    65_B     A    65_B    101  141  279     52   80   99  124  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     G    66_B     G    66_B    101  141  279     53   80   99  124  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     K    67_B     K    67_B    101  141  279     53   80   99  124  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     L    68_B     L    68_B    101  141  279     53   80   99  124  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     Q    69_B     Q    69_B    101  141  279     52   80   99  124  157  190  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     A    70_B     A    70_B    101  141  279     53   80   99  124  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     G    71_B     G    71_B    101  141  279     53   80   99  124  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     G    72_B     G    72_B    101  141  279     53   80   99  124  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     T    73_B     T    73_B    101  141  279     53   80   99  124  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     I    74_B     I    74_B    101  141  279     53   80   99  124  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     V    75_B     V    75_B    101  141  279     53   80   99  124  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     E    76_B     E    76_B    101  141  279     53   80   99  124  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     P    77_B     P    77_B    101  141  279     53   80   99  124  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     T    78_B     T    78_B    101  141  279     53   80   99  124  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     S    79_B     S    79_B    101  141  279     44   80   99  124  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     G    80_B     G    80_B    101  141  279     15   46   99  124  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     N    81_B     N    81_B    101  141  279     15   56  110  124  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     T    82_B     T    82_B    101  141  279     15   46  103  124  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     G    83_B     G    83_B    101  141  279     16   73   99  124  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     V    84_B     V    84_B    101  141  279     22   73   99  124  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     G    85_B     G    85_B    101  141  279     22   71   99  124  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     L    86_B     L    86_B    101  141  279     22   73   99  124  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     A    87_B     A    87_B    101  141  279     49   80   99  124  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     M    88_B     M    88_B    101  141  279     42   80   99  124  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     V    89_B     V    89_B    101  141  279     22   75   99  124  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     A    90_B     A    90_B    101  141  279     35   80   99  124  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     A    91_B     A    91_B    101  141  279     52   80   99  124  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     A    92_B     A    92_B    101  141  279     35   80   99  124  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     K    93_B     K    93_B    101  141  279     22   75   99  124  157  192  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     G    94_B     G    94_B    101  141  279     40   80   99  124  157  191  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     Y    95_B     Y    95_B    101  141  279     53   80   99  124  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     H    96_B     H    96_B    101  141  279     53   80   99  124  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     L    97_B     L    97_B    101  141  279     53   80   99  124  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     V    98_B     V    98_B    101  141  279     53   80   99  124  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     I    99_B     I    99_B    101  141  279     53   80   99  124  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     T   100_B     T   100_B    101  141  279     53   80   99  124  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     M   101_B     M   101_B    101  141  279     53   80   99  124  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     P   102_B     P   102_B    101  141  279     53   80   99  124  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     E   103_B     E   103_B    101  141  279     53   80   99  124  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     T   104_B     T   104_B    101  141  279     53   80   99  124  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     M   105_B     M   105_B    101  141  279      8   80   99  124  156  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     S   106_B     S   106_B    101  141  279      3    3   53  112  148  183  216  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     V   107_B     V   107_B    101  141  279      4   34   94  112  148  192  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     E   108_B     E   108_B    101  141  279     16   46   99  124  150  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     R   109_B     R   109_B    101  141  279     20   78   99  124  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     R   110_B     R   110_B    101  141  279     53   80   99  124  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     K   111_B     K   111_B    101  141  279     53   80   99  124  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     L   112_B     L   112_B    101  141  279     53   80   99  124  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     M   113_B     M   113_B    101  141  279     53   80   99  124  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     Q   114_B     Q   114_B    101  141  279     53   80   99  124  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     G   115_B     G   115_B    101  141  279     53   80   99  124  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     Y   116_B     Y   116_B    101  141  279     53   80   99  124  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     G   117_B     G   117_B    101  141  279     53   80   99  124  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     A   118_B     A   118_B    101  141  279     53   80   99  124  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     E   119_B     E   119_B    101  141  279     53   80   99  124  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     L   120_B     L   120_B    101  141  279     53   80   99  124  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     I   121_B     I   121_B    101  141  279     53   80   99  124  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     L   122_B     L   122_B    101  141  279     53   80   99  124  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     T   123_B     T   123_B    101  141  279     53   80   99  124  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     P   124_B     P   124_B    101  141  279     53   80   99  124  156  188  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     G   125_B     G   125_B    101  141  279     52   80   99  124  153  188  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     A   126_B     A   126_B    101  141  279     31   77   99  124  146  174  204  230  242  247  249  253  258  264  269  271  273  274  275  275 
LCS_GDT     D   127_B     D   127_B    101  141  279     53   80   99  124  156  188  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     G   128_B     G   128_B    101  141  279     53   80   99  124  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     M   129_B     M   129_B    101  141  279     53   80   99  124  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     K   130_B     K   130_B    101  141  279     53   80   99  124  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     G   131_B     G   131_B    101  141  279     53   80   99  124  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     A   132_B     A   132_B    101  141  279     53   80   99  124  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     I   133_B     I   133_B    101  141  279     53   80   99  124  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     A   134_B     A   134_B    101  141  279     53   80   99  124  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     K   135_B     K   135_B    101  141  279     53   80   99  124  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     A   136_B     A   136_B    101  141  279     53   80   99  124  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     E   137_B     E   137_B    101  141  279     53   80   99  124  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     E   138_B     E   138_B    101  141  279     53   80   99  124  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     L   139_B     L   139_B    101  141  279     53   80   99  124  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     V   140_B     V   140_B    101  141  279     53   80   99  124  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     K   141_B     K   141_B    101  141  279     53   80   99  124  157  192  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     E   142_B     E   142_B    101  141  279     42   80   99  124  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     K   143_B     K   143_B    101  141  279     41   80   99  124  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     G   144_B     G   144_B    101  141  279     43   80   99  124  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     Y   145_B     Y   145_B    101  141  279     53   80   99  124  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     F   146_B     F   146_B    101  141  279     53   80   99  124  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     M   147_B     M   147_B    101  141  279     53   80   99  124  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     P   148_B     P   148_B    101  141  279     51   80   99  124  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     M   149_B     M   149_B    101  141  279      4   27   88  112  150  188  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     Q   150_B     Q   150_B    101  141  279      8   62   89  106  150  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     F   151_B     F   151_B    101  141  279      3    8   59  109  153  192  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     D   152_B     D   152_B      6  133  279     15   34   59   79  111  164  213  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     N   153_B     N   153_B      6  122  279      4    6   32   51   72  118  139  174  192  237  249  254  260  264  269  271  273  274  275  275 
LCS_GDT     P   154_B     P   154_B      6  120  279      4   13   34   48   58   93  109  136  162  217  240  250  260  264  269  271  273  274  275  275 
LCS_GDT     A   155_B     A   155_B      6  110  279      4    6    8    9   10   12   25   57   71   84   97  119  151  182  209  243  256  269  275  275 
LCS_GDT     H   160_B     H   160_B      4   18  279      3    4    4    7   17   20   25   27   33   44   52   88  106  150  237  258  263  268  270  275 
LCS_GDT     E   161_B     E   161_B      4   18  279      3    4    6   16   21   29   66  110  169  203  225  245  254  261  269  271  273  274  275  275 
LCS_GDT     E   162_B     E   162_B     12   18  279      3    6   22   42   67   94  110  137  195  231  242  252  260  264  269  271  273  274  275  275 
LCS_GDT     T   163_B     T   163_B     12   18  279      3   11   14   17   28   53   78  117  155  198  221  240  254  261  269  271  273  274  275  275 
LCS_GDT     T   164_B     T   164_B     12   18  279      9   11   14   17   21   27   43   73  108  154  206  228  247  257  265  271  273  274  275  275 
LCS_GDT     G   165_B     G   165_B     12   18  279      9   11   14   17   33   53   89  147  194  222  238  250  258  264  269  271  273  274  275  275 
LCS_GDT     K   166_B     K   166_B     12   18  279      9   11   14   31   51   82  129  182  212  240  246  254  260  264  269  271  273  274  275  275 
LCS_GDT     E   167_B     E   167_B     12   18  279      9   11   27   46   54   75  100  140  146  175  208  238  254  264  269  271  273  274  275  275 
LCS_GDT     I   168_B     I   168_B     12   18  279      9   11   14   22   48   66  109  134  146  152  178  228  250  261  269  271  273  274  275  275 
LCS_GDT     L   169_B     L   169_B     12   44  279      9   19   48   98  125  137  141  146  170  211  240  251  260  264  269  271  273  274  275  275 
LCS_GDT     E   170_B     E   170_B     12   44  279      9   17   48   92  120  137  140  143  150  162  192  232  250  264  269  271  273  274  275  275 
LCS_GDT     A   171_B     A   171_B     12   44  279      9   11   14   32   62  100  119  139  145  150  156  166  185  232  256  268  273  274  275  275 
LCS_GDT     F   172_B     F   172_B     12   44  279      9   11   14   21   62  100  121  140  146  150  158  188  232  250  264  271  273  274  275  275 
LCS_GDT     G   173_B     G   173_B     12   44  279      5   11   16   37   47   85  114  136  144  150  155  165  197  246  258  268  273  274  275  275 
LCS_GDT     D   174_B     D   174_B      4   44  279      4    6   14   30   47   77  105  135  143  150  155  165  175  199  235  268  271  274  275  275 
LCS_GDT     D   175_B     D   175_B      4   44  279      4    6   14   37   61  102  129  142  146  152  169  210  249  257  269  271  273  274  275  275 
LCS_GDT     I   176_B     I   176_B     37   44  279      9   82  108  126  132  138  156  214  237  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     P   177_B     P   177_B     37   44  279     64   99  115  126  142  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     D   178_B     D   178_B     37   44  279     75   99  115  126  152  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     A   179_B     A   179_B     37   44  279     75   99  115  126  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     F   180_B     F   180_B     37   44  279     75   99  115  126  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     V   181_B     V   181_B     37   44  279     75   99  115  126  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     A   182_B     A   182_B     37   44  279     75   99  115  126  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     G   183_B     G   183_B     37   44  279     25   91  115  126  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     V   184_B     V   184_B     37   44  279     25   86  114  126  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     G   185_B     G   185_B     37   44  279     18   62  101  124  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     T   186_B     T   186_B     37   44  279      3   22   55   97  128  137  177  212  241  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     G   187_B     G   187_B     37   44  279      4   50  109  125  144  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     G   188_B     G   188_B     37   44  279      6   35   69  115  129  149  208  233  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     T   189_B     T   189_B     37   44  279      5   35   57  108  134  182  216  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     L   190_B     L   190_B     37   99  279     18   54  115  126  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     T   191_B     T   191_B     37   99  279     15   73  114  126  156  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     G   192_B     G   192_B     37   99  279     18   54  110  125  149  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     V   193_B     V   193_B     37   99  279     17   73  115  126  150  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     G   194_B     G   194_B     37   99  279     18   97  115  126  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     H   195_B     H   195_B     37   99  279     18   88  115  126  156  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     A   196_B     A   196_B     37   99  279     18   97  115  126  146  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     L   197_B     L   197_B     37   99  279     63   99  115  126  151  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     K   198_B     K   198_B     37   99  279     30   99  115  126  153  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     K   199_B     K   199_B     37   99  279     16   97  115  126  152  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     A   200_B     A   200_B     37   99  279     31   97  115  126  151  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     N   201_B     N   201_B     37   99  279     31   97  115  126  152  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     P   202_B     P   202_B     37   99  279     16   97  115  126  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     N   203_B     N   203_B     37   99  279     31   99  115  126  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     V   204_B     V   204_B     37   99  279     74   99  115  126  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     Q   205_B     Q   205_B     37   99  279     75   99  115  126  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     I   206_B     I   206_B     37   99  279     75   99  115  126  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     Y   207_B     Y   207_B     37   99  279     75   99  115  126  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     A   208_B     A   208_B     37   99  279     75   99  115  126  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     L   209_B     L   209_B     37   99  279     58   99  115  126  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     E   210_B     E   210_B     37   99  279     58   99  115  126  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     P   211_B     P   211_B     37   99  279     58   92  115  126  147  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     A   212_B     A   212_B     37   99  279     30   91  112  126  144  189  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     P   236_B     P   236_B      3   99  279      0    3    3    7   10   24   35   50   93  133  149  151  156  164  176  187  207  241  262  269 
LCS_GDT     K   237_B     K   237_B      3   99  279      0    3    4    4    4    8   58   81   92  110  119  144  156  164  176  196  230  241  253  267 
LCS_GDT     V   238_B     V   238_B      5   99  279      3    5    5   10   14   37   48   61   79   86  100  144  152  162  176  195  207  221  233  267 
LCS_GDT     L   239_B     L   239_B      5   99  279      4    6   13   30   52  115  138  142  153  166  182  210  253  262  269  271  273  274  275  275 
LCS_GDT     D   240_B     D   240_B     73   99  279      4   10   72  102  128  137  143  175  194  237  249  254  260  264  269  271  273  274  275  275 
LCS_GDT     T   241_B     T   241_B     73   99  279     16   60  105  125  144  179  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     D   242_B     D   242_B     73   99  279     65   99  115  126  156  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     V   243_B     V   243_B     73   99  279     20   97  115  126  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     Y   244_B     Y   244_B     73   99  279     65   99  115  126  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     N   245_B     N   245_B     73   99  279     31   99  115  126  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     G   246_B     G   246_B     73   99  279     37   99  115  126  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     I   247_B     I   247_B     73   99  279     60   99  115  126  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     L   248_B     L   248_B     73   99  279     75   99  115  126  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     E   249_B     E   249_B     73   99  279     58   99  115  126  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     I   250_B     I   250_B     73   99  279     75   99  115  126  156  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     K   251_B     K   251_B     73   99  279     75   99  115  126  132  182  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     S   252_B     S   252_B     73   99  279     75   99  115  126  132  166  217  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     D   253_B     D   253_B     73   99  279     75   99  115  126  132  158  213  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     D   254_B     D   254_B     73   99  279     75   99  115  126  139  188  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     A   255_B     A   255_B     73   99  279     75   99  115  126  147  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     I   256_B     I   256_B     73   99  279     75   99  115  126  132  173  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     T   257_B     T   257_B     73   99  279     75   99  115  126  132  179  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     M   258_B     M   258_B     73   99  279     75   99  115  126  153  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     A   259_B     A   259_B     73   99  279     75   99  115  126  153  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     R   260_B     R   260_B     73   99  279     75   99  115  126  132  186  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     E   261_B     E   261_B     73   99  279     75   99  115  126  147  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     V   262_B     V   262_B     73   99  279     75   99  115  126  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     G   263_B     G   263_B     73   99  279     75   99  115  126  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     H   264_B     H   264_B     73   99  279     75   99  115  126  147  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     Q   265_B     Q   265_B     73   99  279     75   99  115  126  154  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     E   266_B     E   266_B     73   99  279     75   99  115  126  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     G   267_B     G   267_B     73   99  279     75   99  115  126  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     I   268_B     I   268_B     73   99  279     75   99  115  126  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     L   269_B     L   269_B     73   99  279     75   99  115  126  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     V   270_B     V   270_B     73   99  279     69   99  115  126  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     G   271_B     G   271_B     73   99  279     69   99  115  126  132  179  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     I   272_B     I   272_B     73   99  279     75   99  115  126  132  179  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     S   273_B     S   273_B     73   99  279     75   99  115  126  154  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     A   274_B     A   274_B     73   99  279     75   99  115  126  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     G   275_B     G   275_B     73   99  279     75   99  115  126  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     A   276_B     A   276_B     73   99  279     75   99  115  126  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     N   277_B     N   277_B     73   99  279     75   99  115  126  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     I   278_B     I   278_B     73   99  279     75   99  115  126  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     K   279_B     K   279_B     73   99  279     75   99  115  126  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     G   280_B     G   280_B     73   99  279     75   99  115  126  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     A   281_B     A   281_B     73   99  279     75   99  115  126  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     I   282_B     I   282_B     73   99  279     75   99  115  126  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     E   283_B     E   283_B     73   99  279     75   99  115  126  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     V   284_B     V   284_B     73   99  279     75   99  115  126  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     A   285_B     A   285_B     73   99  279     75   99  115  126  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     K   286_B     K   286_B     73   99  279     75   99  115  126  154  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     K   287_B     K   287_B     73   99  279     75   99  115  126  154  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     L   288_B     L   288_B     73   99  279     75   99  115  126  152  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     G   289_B     G   289_B     73   99  279     75   99  115  126  152  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     K   290_B     K   290_B     73   99  279     75   99  115  126  135  192  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     G   291_B     G   291_B     73   99  279     75   99  115  126  132  181  218  233  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     K   292_B     K   292_B     73   99  279     75   99  115  126  135  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     Q   293_B     Q   293_B     73   99  279     75   99  115  126  153  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     V   294_B     V   294_B     73   99  279     75   99  115  126  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     I   295_B     I   295_B     73   99  279     75   99  115  126  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     T   296_B     T   296_B     73   99  279     75   99  115  126  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     V   297_B     V   297_B     73   99  279     75   99  115  126  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     A   298_B     A   298_B     73   99  279     75   99  115  126  157  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     P   299_B     P   299_B     73   99  279     75   99  115  126  154  193  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     D   300_B     D   300_B     73   99  279     14   80  114  126  132  156  198  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     G   301_B     G   301_B     73   99  279     47   98  115  126  140  173  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     G   302_B     G   302_B     73   99  279     64   99  115  126  132  153  213  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     D   303_B     D   303_B     73   99  279     55   99  115  126  132  171  218  234  242  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     R   304_B     R   304_B     73   99  279     26   98  115  126  132  139  179  224  240  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     Y   305_B     Y   305_B     73   99  279     43   98  115  126  132  138  167  218  238  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     L   306_B     L   306_B     73   99  279     57   99  115  126  132  139  177  223  240  247  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     S   307_B     S   307_B     73   99  279     31   98  114  126  132  138  146  165  223  246  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     T   308_B     T   308_B     73   99  279     10   80  109  126  132  137  144  156  176  232  249  254  260  264  269  271  273  274  275  275 
LCS_GDT     E   309_B     E   309_B     73   99  279     10   29   86  121  132  137  144  156  184  216  248  253  260  264  269  271  273  274  275  275 
LCS_GDT     L   310_B     L   310_B     73   99  279     10   35  109  126  132  138  149  195  223  245  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     F   311_B     F   311_B     73   99  279     10   86  113  126  132  138  164  200  231  246  250  254  260  264  269  271  273  274  275  275 
LCS_GDT     N   312_B     N   312_B     73   98  279      3   18   58  109  132  137  144  156  184  218  248  253  260  264  269  271  273  274  275  275 
LCS_GDT     Y   313_B     Y   313_B     73   90  279      3    4   26   45   83  132  143  162  184  212  246  254  260  264  269  271  273  274  275  275 
LCS_AVERAGE  LCS_A:  54.34  (  23.40   40.32   99.29 )

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     75     99    115    126    157    193    218    234    242    247    250    254    260    264    269    271    273    274    275    275 
GDT PERCENT_AT  26.69  35.23  40.93  44.84  55.87  68.68  77.58  83.27  86.12  87.90  88.97  90.39  92.53  93.95  95.73  96.44  97.15  97.51  97.86  97.86
GDT RMS_LOCAL    3.66   0.46   0.68   0.84   1.61   2.01   2.18   2.35   2.44   2.52   2.61   2.73   2.94   3.07   3.26   3.35   3.46   3.52   3.58   3.58
GDT RMS_ALL_AT   6.37   6.27   6.07   6.19   4.14   4.01   4.01   4.01   4.01   4.01   4.00   3.98   3.95   3.94   3.93   3.92   3.92   3.92   3.92   3.92

# Checking swapping
#   possible swapping detected:  F    43_B      F    43_B
#   possible swapping detected:  E    60_B      E    60_B
#   possible swapping detected:  E    63_B      E    63_B
#   possible swapping detected:  Y    95_B      Y    95_B
#   possible swapping detected:  E   138_B      E   138_B
#   possible swapping detected:  F   146_B      F   146_B
#   possible swapping detected:  F   151_B      F   151_B
#   possible swapping detected:  E   162_B      E   162_B
#   possible swapping detected:  E   167_B      E   167_B
#   possible swapping detected:  F   172_B      F   172_B
#   possible swapping detected:  F   180_B      F   180_B
#   possible swapping detected:  E   210_B      E   210_B
#   possible swapping detected:  D   242_B      D   242_B
#   possible swapping detected:  Y   244_B      Y   244_B
#   possible swapping detected:  D   253_B      D   253_B
#   possible swapping detected:  E   283_B      E   283_B
#   possible swapping detected:  D   300_B      D   300_B
#   possible swapping detected:  D   303_B      D   303_B
#   possible swapping detected:  Y   313_B      Y   313_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    T     8_B      T     8_B     4.836     0    0.050   0.142     5.142   30.119   30.748
LGA    K     9_B      K     9_B     4.610     4    0.021   0.134     4.651   34.286   19.365
LGA    I    10_B      I    10_B     4.200     0    0.091   0.579     6.356   37.143   33.214
LGA    T    11_B      T    11_B     3.655     0    0.038   0.178     3.871   43.333   47.211
LGA    N    12_B      N    12_B     3.621     0    0.055   1.135     6.314   46.667   39.464
LGA    S    13_B      S    13_B     2.529     0    0.095   0.156     2.904   60.952   59.683
LGA    I    14_B      I    14_B     1.340     0    0.066   0.091     1.798   79.286   81.488
LGA    V    15_B      V    15_B     0.841     0    0.058   0.305     1.935   83.690   80.272
LGA    N    16_B      N    16_B     2.119     0    0.071   0.135     3.365   64.881   58.333
LGA    L    17_B      L    17_B     2.335     0    0.091   0.146     2.775   64.762   62.857
LGA    I    18_B      I    18_B     2.240     0    0.047   0.082     3.031   61.190   68.155
LGA    G    19_B      G    19_B     4.164     0    0.663   0.663     4.829   38.929   38.929
LGA    N    20_B      N    20_B     3.959     0    0.043   0.312     5.109   43.452   40.476
LGA    T    21_B      T    21_B     3.148     0    0.032   0.156     3.900   50.119   48.163
LGA    P    22_B      P    22_B     1.979     0    0.026   0.080     2.280   70.833   72.925
LGA    I    23_B      I    23_B     1.650     0    0.110   0.103     3.214   77.143   68.155
LGA    V    24_B      V    24_B     1.243     0    0.106   1.082     3.761   81.429   72.517
LGA    K    25_B      K    25_B     1.435     0    0.021   0.161     2.877   79.286   70.423
LGA    L    26_B      L    26_B     1.375     0    0.038   0.074     1.752   77.143   80.417
LGA    N    27_B      N    27_B     2.570     0    0.072   0.196     3.373   57.262   58.155
LGA    R    28_B      R    28_B     2.719     0    0.093   1.391     8.216   57.262   44.502
LGA    V    29_B      V    29_B     2.576     0    0.028   0.048     2.636   57.143   61.565
LGA    V    30_B      V    30_B     2.425     0    0.025   1.383     3.778   59.048   56.327
LGA    P    31_B      P    31_B     3.075     0    0.012   0.048     3.203   51.786   53.061
LGA    E    32_B      E    32_B     3.479     4    0.048   0.067     3.805   48.333   26.296
LGA    D    33_B      D    33_B     3.587     0    0.035   0.698     3.923   45.000   49.583
LGA    A    34_B      A    34_B     3.115     0    0.027   0.036     3.318   50.000   51.429
LGA    A    35_B      A    35_B     2.803     0    0.035   0.072     2.919   60.952   60.190
LGA    D    36_B      D    36_B     2.172     0    0.057   0.192     2.704   68.810   63.929
LGA    V    37_B      V    37_B     1.379     0    0.038   0.098     1.685   79.286   81.497
LGA    Y    38_B      Y    38_B     1.371     0    0.010   0.241     3.495   81.429   66.032
LGA    V    39_B      V    39_B     1.108     0    0.035   0.065     1.418   81.429   84.014
LGA    K    40_B      K    40_B     1.915     0    0.039   0.505     4.296   72.857   58.995
LGA    L    41_B      L    41_B     2.034     0    0.072   0.074     2.809   64.881   69.940
LGA    E    42_B      E    42_B     2.501     0    0.119   0.945     5.855   59.048   49.788
LGA    F    43_B      F    43_B     3.224     0    0.018   0.281     4.102   46.905   48.528
LGA    F    44_B      F    44_B     4.231     0    0.229   0.765     6.268   30.952   40.736
LGA    N    45_B      N    45_B     4.434     0    0.098   1.020     5.491   41.905   36.726
LGA    P    46_B      P    46_B     5.670     0    0.011   0.241     7.670   26.548   20.068
LGA    G    47_B      G    47_B     2.471     0    0.188   0.188     5.542   48.571   48.571
LGA    G    48_B      G    48_B     4.089     0    0.082   0.082     5.654   36.429   36.429
LGA    S    49_B      S    49_B     3.388     0    0.072   0.117     3.388   50.000   50.000
LGA    I    50_B      I    50_B     3.397     0    0.193   1.150     5.804   51.786   48.274
LGA    K    51_B      K    51_B     3.407     2    0.158   0.778     3.816   48.333   39.048
LGA    D    52_B      D    52_B     2.529     0    0.024   0.255     4.048   65.000   55.119
LGA    R    53_B      R    53_B     0.737     0    0.078   0.952     7.246   83.690   54.632
LGA    I    54_B      I    54_B     2.197     0    0.050   1.343     5.466   66.786   54.226
LGA    A    55_B      A    55_B     2.465     0    0.033   0.053     2.832   64.762   63.238
LGA    L    56_B      L    56_B     1.330     0    0.040   0.138     1.721   79.286   84.881
LGA    A    57_B      A    57_B     1.340     0    0.079   0.076     1.446   81.429   81.429
LGA    M    58_B      M    58_B     1.596     0    0.062   0.241     2.416   75.000   70.893
LGA    I    59_B      I    59_B     1.286     0    0.033   0.645     2.483   81.429   79.345
LGA    E    60_B      E    60_B     1.240     0    0.018   0.135     1.432   81.429   81.429
LGA    E    61_B      E    61_B     1.201     0    0.044   1.320     4.439   81.429   65.397
LGA    A    62_B      A    62_B     1.233     0    0.028   0.032     1.402   81.429   81.429
LGA    E    63_B      E    63_B     1.406     0    0.048   0.169     1.671   81.429   80.476
LGA    K    64_B      K    64_B     1.426     4    0.047   0.055     1.449   81.429   45.238
LGA    A    65_B      A    65_B     1.112     0    0.069   0.094     1.342   83.690   83.238
LGA    G    66_B      G    66_B     1.398     0    0.126   0.126     1.666   79.286   79.286
LGA    K    67_B      K    67_B     1.236     4    0.074   0.104     1.344   81.429   45.238
LGA    L    68_B      L    68_B     1.368     0    0.030   0.134     1.679   77.143   80.417
LGA    Q    69_B      Q    69_B     2.312     4    0.068   0.137     3.073   70.833   37.037
LGA    A    70_B      A    70_B     1.696     0    0.094   0.113     1.912   75.000   74.571
LGA    G    71_B      G    71_B     1.267     0    0.088   0.088     1.567   79.286   79.286
LGA    G    72_B      G    72_B     1.474     0    0.041   0.041     1.474   81.429   81.429
LGA    T    73_B      T    73_B     1.416     0    0.042   0.091     1.819   81.429   80.204
LGA    I    74_B      I    74_B     1.034     0    0.019   0.128     1.271   83.690   84.821
LGA    V    75_B      V    75_B     1.113     0    0.007   0.094     1.533   83.690   81.497
LGA    E    76_B      E    76_B     0.933     0    0.080   0.171     1.033   85.952   86.455
LGA    P    77_B      P    77_B     1.290     0    0.026   0.105     1.573   81.429   80.204
LGA    T    78_B      T    78_B     1.334     0    0.155   0.348     2.116   77.262   76.599
LGA    S    79_B      S    79_B     1.212     0    0.688   0.622     3.337   73.571   74.762
LGA    G    80_B      G    80_B     1.671     0    0.025   0.025     1.671   77.143   77.143
LGA    N    81_B      N    81_B     1.901     3    0.096   0.124     2.631   72.857   43.571
LGA    T    82_B      T    82_B     2.139     0    0.067   0.198     2.799   68.810   64.898
LGA    G    83_B      G    83_B     1.088     0    0.043   0.043     1.332   83.690   83.690
LGA    V    84_B      V    84_B     1.292     0    0.020   0.106     1.822   81.429   77.755
LGA    G    85_B      G    85_B     1.898     0    0.050   0.050     1.916   72.857   72.857
LGA    L    86_B      L    86_B     1.581     0    0.028   1.340     2.723   75.000   74.345
LGA    A    87_B      A    87_B     1.036     0    0.022   0.029     1.251   81.429   83.238
LGA    M    88_B      M    88_B     1.687     0    0.090   0.950     2.291   75.000   72.976
LGA    V    89_B      V    89_B     2.165     0    0.039   0.061     2.492   66.786   65.918
LGA    A    90_B      A    90_B     1.777     0    0.040   0.046     2.184   70.833   72.952
LGA    A    91_B      A    91_B     1.590     0    0.030   0.034     2.187   70.833   72.952
LGA    A    92_B      A    92_B     2.504     0    0.148   0.143     2.566   62.857   61.714
LGA    K    93_B      K    93_B     2.576     0    0.067   0.620     2.729   59.048   64.074
LGA    G    94_B      G    94_B     2.402     0    0.090   0.090     2.402   64.762   64.762
LGA    Y    95_B      Y    95_B     1.475     0    0.035   0.137     1.760   77.143   78.571
LGA    H    96_B      H    96_B     1.311     0    0.020   1.045     6.866   81.429   54.238
LGA    L    97_B      L    97_B     0.836     0    0.013   0.107     0.929   90.476   91.667
LGA    V    98_B      V    98_B     1.074     0    0.032   0.070     1.286   85.952   84.014
LGA    I    99_B      I    99_B     0.967     0    0.014   0.650     1.934   85.952   86.012
LGA    T   100_B      T   100_B     1.347     0    0.022   0.061     1.550   81.429   78.980
LGA    M   101_B      M   101_B     1.599     0    0.045   0.344     1.776   72.857   73.929
LGA    P   102_B      P   102_B     1.988     0    0.030   0.257     2.149   72.857   71.769
LGA    E   103_B      E   103_B     2.182     0    0.028   0.204     2.979   64.762   62.222
LGA    T   104_B      T   104_B     2.471     0    0.022   0.067     2.849   62.857   60.408
LGA    M   105_B      M   105_B     2.784     0    0.092   1.131     3.926   53.810   56.607
LGA    S   106_B      S   106_B     3.343     0    0.412   0.659     5.550   57.262   46.111
LGA    V   107_B      V   107_B     3.319     0    0.625   0.651     4.587   45.119   40.884
LGA    E   108_B      E   108_B     3.182     0    0.037   1.465     5.661   57.381   45.873
LGA    R   109_B      R   109_B     1.188     4    0.053   0.657     1.845   83.810   54.329
LGA    R   110_B      R   110_B     1.138     0    0.113   1.194     3.513   81.429   71.299
LGA    K   111_B      K   111_B     1.278     0    0.046   0.478     3.199   81.429   71.481
LGA    L   112_B      L   112_B     0.921     0    0.063   1.386     3.718   90.476   74.524
LGA    M   113_B      M   113_B     0.698     0    0.018   0.256     1.461   90.476   89.345
LGA    Q   114_B      Q   114_B     0.607     0    0.025   0.071     1.096   90.476   87.460
LGA    G   115_B      G   115_B     0.615     0    0.028   0.028     0.615   90.476   90.476
LGA    Y   116_B      Y   116_B     0.601     0    0.044   0.090     1.392   90.476   86.706
LGA    G   117_B      G   117_B     0.500     0    0.064   0.064     0.993   95.238   95.238
LGA    A   118_B      A   118_B     0.629     0    0.093   0.111     0.999   90.476   90.476
LGA    E   119_B      E   119_B     1.043     0    0.065   0.608     2.499   83.690   77.725
LGA    L   120_B      L   120_B     1.097     0    0.066   0.316     1.873   79.286   81.488
LGA    I   121_B      I   121_B     1.374     1    0.013   0.062     1.642   81.429   70.179
LGA    L   122_B      L   122_B     1.614     0    0.027   0.059     2.006   70.833   73.988
LGA    T   123_B      T   123_B     2.293     0    0.023   0.084     2.522   64.762   63.673
LGA    P   124_B      P   124_B     2.898     0    0.010   0.116     3.240   55.357   54.082
LGA    G   125_B      G   125_B     3.154     0    0.075   0.075     3.670   46.667   46.667
LGA    A   126_B      A   126_B     4.181     0    0.036   0.055     4.518   40.238   38.476
LGA    D   127_B      D   127_B     3.034     0    0.063   0.434     4.492   55.476   52.024
LGA    G   128_B      G   128_B     2.595     0    0.040   0.040     2.795   60.952   60.952
LGA    M   129_B      M   129_B     2.190     0    0.069   0.571     3.379   64.762   61.012
LGA    K   130_B      K   130_B     2.457     4    0.031   0.083     2.471   64.762   35.979
LGA    G   131_B      G   131_B     2.357     0    0.027   0.027     2.453   64.762   64.762
LGA    A   132_B      A   132_B     1.845     0    0.011   0.025     2.059   70.833   71.238
LGA    I   133_B      I   133_B     1.727     0    0.048   0.108     1.863   72.857   72.857
LGA    A   134_B      A   134_B     2.192     0    0.034   0.050     2.460   64.762   64.762
LGA    K   135_B      K   135_B     2.007     0    0.034   0.639     2.075   68.810   72.169
LGA    A   136_B      A   136_B     1.629     0    0.031   0.037     1.773   72.857   74.571
LGA    E   137_B      E   137_B     1.768     2    0.044   0.079     1.972   72.857   56.667
LGA    E   138_B      E   138_B     1.967     0    0.058   0.687     4.039   72.857   61.270
LGA    L   139_B      L   139_B     1.641     0    0.029   0.115     1.771   72.857   72.857
LGA    V   140_B      V   140_B     1.783     0    0.128   0.169     2.153   70.833   70.544
LGA    K   141_B      K   141_B     2.100     4    0.048   0.074     2.363   66.786   36.878
LGA    E   142_B      E   142_B     1.823     4    0.025   0.087     1.990   72.857   40.476
LGA    K   143_B      K   143_B     1.727     4    0.057   0.083     1.836   72.857   40.476
LGA    G   144_B      G   144_B     1.920     0    0.014   0.014     1.920   72.857   72.857
LGA    Y   145_B      Y   145_B     1.615     0    0.079   0.111     1.788   75.000   77.857
LGA    F   146_B      F   146_B     1.165     0    0.041   0.113     1.262   81.429   83.896
LGA    M   147_B      M   147_B     1.128     0    0.027   0.212     1.369   81.429   81.429
LGA    P   148_B      P   148_B     1.137     0    0.651   0.724     2.638   75.357   77.959
LGA    M   149_B      M   149_B     2.949     3    0.366   0.383     3.288   62.976   37.738
LGA    Q   150_B      Q   150_B     3.066     4    0.687   0.636     4.899   48.571   25.079
LGA    F   151_B      F   151_B     2.770     0    0.090   1.259    11.388   66.905   28.788
LGA    D   152_B      D   152_B     4.078     3    0.151   0.172     5.989   38.690   22.024
LGA    N   153_B      N   153_B     7.149     3    0.090   0.115     8.170   15.833    8.512
LGA    P   154_B      P   154_B     8.232     0    0.254   0.256    10.435    3.095    2.177
LGA    A   155_B      A   155_B    12.794     0    0.556   0.559    14.593    0.000    0.000
LGA    H   160_B      H   160_B    12.451     5    0.640   0.634    13.325    0.000    0.000
LGA    E   161_B      E   161_B     8.653     0    0.153   0.793     9.836    4.405    5.450
LGA    E   162_B      E   162_B     7.185     0    0.132   0.993     8.099   10.119    9.471
LGA    T   163_B      T   163_B     8.874     0    0.174   1.200    10.651    2.976    2.789
LGA    T   164_B      T   164_B     9.719     0    0.075   0.164    10.645    1.190    0.680
LGA    G   165_B      G   165_B     7.671     0    0.076   0.076     8.290    7.976    7.976
LGA    K   166_B      K   166_B     6.908     4    0.026   0.081     7.655    9.405    6.085
LGA    E   167_B      E   167_B     9.277     0    0.064   0.879    10.029    1.786    1.323
LGA    I   168_B      I   168_B     9.472     0    0.032   0.068    10.206    1.786    1.250
LGA    L   169_B      L   169_B     7.749     0    0.030   1.166     8.639    4.881   11.310
LGA    E   170_B      E   170_B     9.263     0    0.025   0.897    10.516    1.071    1.429
LGA    A   171_B      A   171_B    11.159     0    0.091   0.095    11.920    0.000    0.000
LGA    F   172_B      F   172_B    10.089     0    0.102   0.108    10.214    0.000    0.563
LGA    G   173_B      G   173_B    10.713     0    0.645   0.645    10.713    0.119    0.119
LGA    D   174_B      D   174_B    11.556     0    0.202   0.273    14.653    0.000    0.000
LGA    D   175_B      D   175_B     9.417     0    0.253   0.846    10.298    2.262    1.190
LGA    I   176_B      I   176_B     5.469     0    0.090   0.614     6.978   25.595   25.060
LGA    P   177_B      P   177_B     3.391     0    0.141   0.424     4.360   48.571   47.415
LGA    D   178_B      D   178_B     2.842     0    0.046   0.279     4.911   59.167   51.488
LGA    A   179_B      A   179_B     1.964     0    0.053   0.049     2.293   70.833   71.238
LGA    F   180_B      F   180_B     1.721     0    0.020   0.165     2.234   72.857   70.649
LGA    V   181_B      V   181_B     1.294     0    0.048   0.079     1.596   77.143   81.565
LGA    A   182_B      A   182_B     1.825     0    0.089   0.106     2.067   72.857   71.238
LGA    G   183_B      G   183_B     1.708     0    0.152   0.152     1.751   79.405   79.405
LGA    V   184_B      V   184_B     1.942     0    0.179   1.135     3.761   68.810   64.082
LGA    G   185_B      G   185_B     2.560     0    0.074   0.074     3.876   53.810   53.810
LGA    T   186_B      T   186_B     5.079     0    0.065   0.099     6.576   29.048   24.014
LGA    G   187_B      G   187_B     3.428     0    0.132   0.132     3.846   46.667   46.667
LGA    G   188_B      G   188_B     4.666     0    0.140   0.140     4.666   34.286   34.286
LGA    T   189_B      T   189_B     4.014     0    0.034   0.202     4.592   41.905   39.048
LGA    L   190_B      L   190_B     2.473     0    0.026   0.229     2.861   62.857   64.881
LGA    T   191_B      T   191_B     2.779     0    0.048   0.139     3.719   55.357   52.109
LGA    G   192_B      G   192_B     3.673     0    0.034   0.034     3.673   45.000   45.000
LGA    V   193_B      V   193_B     3.340     0    0.038   0.085     3.493   50.000   50.000
LGA    G   194_B      G   194_B     2.499     0    0.053   0.053     2.764   60.952   60.952
LGA    H   195_B      H   195_B     2.923     0    0.015   0.336     3.400   53.571   55.095
LGA    A   196_B      A   196_B     3.662     0    0.033   0.038     3.943   45.000   44.667
LGA    L   197_B      L   197_B     3.198     0    0.027   0.076     3.824   50.000   50.952
LGA    K   198_B      K   198_B     2.728     0    0.082   0.389     2.804   57.143   65.026
LGA    K   199_B      K   199_B     3.095     2    0.082   0.511     4.331   51.786   36.825
LGA    A   200_B      A   200_B     3.247     0    0.024   0.046     3.374   50.000   50.000
LGA    N   201_B      N   201_B     3.031     0    0.055   0.159     3.954   53.571   50.952
LGA    P   202_B      P   202_B     2.315     0    0.130   0.421     3.718   62.857   59.524
LGA    N   203_B      N   203_B     2.337     0    0.026   1.124     3.310   64.762   61.964
LGA    V   204_B      V   204_B     2.379     0    0.058   1.020     4.062   66.786   57.823
LGA    Q   205_B      Q   205_B     1.931     0    0.036   0.936     3.370   70.833   68.519
LGA    I   206_B      I   206_B     1.855     0    0.023   0.045     2.262   72.857   69.821
LGA    Y   207_B      Y   207_B     1.524     0    0.036   0.073     1.646   72.857   78.571
LGA    A   208_B      A   208_B     2.036     0    0.029   0.028     2.265   70.833   69.619
LGA    L   209_B      L   209_B     2.029     0    0.019   0.243     2.517   66.786   68.929
LGA    E   210_B      E   210_B     2.524     0    0.049   0.400     2.773   59.048   62.328
LGA    P   211_B      P   211_B     3.002     0    0.077   0.275     3.384   51.786   52.041
LGA    A   212_B      A   212_B     3.268     0    0.572   0.513     3.385   51.786   51.429
LGA    P   236_B      P   236_B    14.430     0    0.484   0.748    15.587    0.000    0.000
LGA    K   237_B      K   237_B    14.865     0    0.503   1.033    17.226    0.000    0.000
LGA    V   238_B      V   238_B    14.692     0    0.558   0.924    17.069    0.000    0.000
LGA    L   239_B      L   239_B     8.840     0    0.151   1.439    10.935    2.619    8.333
LGA    D   240_B      D   240_B     7.253     0    0.111   1.103     8.434   20.119   13.810
LGA    T   241_B      T   241_B     3.706     0    0.147   0.249     5.667   49.881   39.116
LGA    D   242_B      D   242_B     2.774     0    0.177   0.157     4.378   55.357   49.405
LGA    V   243_B      V   243_B     2.082     0    0.169   0.176     2.391   66.786   70.612
LGA    Y   244_B      Y   244_B     1.716     0    0.070   0.951     5.114   77.143   62.262
LGA    N   245_B      N   245_B     1.390     0    0.022   0.152     1.750   81.429   79.286
LGA    G   246_B      G   246_B     1.545     0    0.076   0.076     1.545   79.286   79.286
LGA    I   247_B      I   247_B     1.345     0    0.053   0.090     1.509   81.429   80.357
LGA    L   248_B      L   248_B     1.099     0    0.042   0.117     1.461   81.429   88.333
LGA    E   249_B      E   249_B     1.945     0    0.119   0.471     3.757   68.810   64.233
LGA    I   250_B      I   250_B     2.490     0    0.039   0.097     2.996   60.952   64.881
LGA    K   251_B      K   251_B     3.480     2    0.037   0.107     4.016   48.452   35.291
LGA    S   252_B      S   252_B     3.896     0    0.021   0.528     5.114   43.333   39.444
LGA    D   253_B      D   253_B     4.233     0    0.043   0.988     7.504   38.690   28.690
LGA    D   254_B      D   254_B     3.266     0    0.034   0.561     4.349   51.905   46.905
LGA    A   255_B      A   255_B     2.802     0    0.061   0.076     3.097   53.571   54.286
LGA    I   256_B      I   256_B     3.743     0    0.011   0.110     4.595   45.000   40.357
LGA    T   257_B      T   257_B     3.666     0    0.033   0.082     4.161   46.667   44.354
LGA    M   258_B      M   258_B     2.552     0    0.018   0.813     3.379   59.048   61.071
LGA    A   259_B      A   259_B     2.657     0    0.053   0.056     2.902   57.143   57.143
LGA    R   260_B      R   260_B     3.346     0    0.030   1.401     9.558   50.000   30.000
LGA    E   261_B      E   261_B     2.928     0    0.033   0.205     3.649   59.167   52.646
LGA    V   262_B      V   262_B     1.869     0    0.014   0.053     2.168   70.833   71.701
LGA    G   263_B      G   263_B     2.186     0    0.055   0.055     2.346   64.762   64.762
LGA    H   264_B      H   264_B     2.858     0    0.107   0.184     4.012   57.143   50.238
LGA    Q   265_B      Q   265_B     2.487     0    0.065   1.068     4.520   62.857   59.735
LGA    E   266_B      E   266_B     1.396     0    0.041   0.141     1.719   79.286   78.571
LGA    G   267_B      G   267_B     1.386     0    0.101   0.101     1.457   81.429   81.429
LGA    I   268_B      I   268_B     1.118     0    0.037   0.114     1.778   77.143   82.679
LGA    L   269_B      L   269_B     2.140     0    0.044   0.121     3.019   66.786   62.024
LGA    V   270_B      V   270_B     2.463     0    0.044   0.073     3.164   59.167   62.721
LGA    G   271_B      G   271_B     3.479     0    0.037   0.037     3.479   50.000   50.000
LGA    I   272_B      I   272_B     3.437     0    0.035   0.248     5.132   50.119   43.929
LGA    S   273_B      S   273_B     2.830     0    0.074   0.551     3.190   59.167   56.111
LGA    A   274_B      A   274_B     2.017     0    0.020   0.045     2.308   70.952   69.714
LGA    G   275_B      G   275_B     2.103     0    0.044   0.044     2.103   66.786   66.786
LGA    A   276_B      A   276_B     2.126     0    0.032   0.041     2.440   68.810   68.000
LGA    N   277_B      N   277_B     1.550     0    0.026   0.132     2.084   77.143   74.048
LGA    I   278_B      I   278_B     1.190     0    0.044   0.104     1.389   81.429   81.429
LGA    K   279_B      K   279_B     1.643     0    0.035   0.216     2.729   75.000   67.619
LGA    G   280_B      G   280_B     1.098     0    0.034   0.034     1.319   85.952   85.952
LGA    A   281_B      A   281_B     0.737     0    0.028   0.032     1.064   88.214   88.667
LGA    I   282_B      I   282_B     1.392     0    0.015   0.068     2.033   77.143   73.988
LGA    E   283_B      E   283_B     1.642     0    0.122   0.995     3.655   70.833   66.878
LGA    V   284_B      V   284_B     1.341     0    0.037   0.051     1.886   77.143   80.272
LGA    A   285_B      A   285_B     1.813     0    0.018   0.036     2.396   68.810   69.619
LGA    K   286_B      K   286_B     2.442     0    0.026   0.441     4.512   60.952   57.672
LGA    K   287_B      K   287_B     2.522     2    0.093   0.180     2.918   59.048   48.730
LGA    L   288_B      L   288_B     2.843     0    0.015   0.167     3.536   51.905   55.476
LGA    G   289_B      G   289_B     3.390     0    0.026   0.026     3.508   48.333   48.333
LGA    K   290_B      K   290_B     3.758     2    0.057   0.495     4.363   41.786   33.175
LGA    G   291_B      G   291_B     3.899     0    0.050   0.050     3.899   43.333   43.333
LGA    K   292_B      K   292_B     3.460     0    0.019   0.634     4.262   48.333   47.249
LGA    Q   293_B      Q   293_B     2.736     0    0.043   0.661     5.941   57.262   44.074
LGA    V   294_B      V   294_B     1.705     0    0.030   0.058     1.945   75.000   76.531
LGA    I   295_B      I   295_B     1.625     0    0.038   1.318     4.309   77.143   69.762
LGA    T   296_B      T   296_B     1.208     0    0.053   0.130     1.346   81.429   84.014
LGA    V   297_B      V   297_B     1.799     0    0.023   0.094     1.980   72.857   72.857
LGA    A   298_B      A   298_B     1.960     0    0.082   0.084     2.681   66.905   68.095
LGA    P   299_B      P   299_B     2.933     0    0.035   0.189     4.015   50.595   54.490
LGA    D   300_B      D   300_B     4.278     0    0.095   0.237     6.318   43.452   35.060
LGA    G   301_B      G   301_B     3.627     0    0.044   0.044     4.187   41.786   41.786
LGA    G   302_B      G   302_B     3.913     0    0.099   0.099     4.142   41.786   41.786
LGA    D   303_B      D   303_B     3.798     0    0.149   0.580     5.002   37.500   38.929
LGA    R   304_B      R   304_B     5.007     6    0.060   0.095     5.716   26.310   12.424
LGA    Y   305_B      Y   305_B     5.433     0    0.055   0.195     5.741   23.810   26.270
LGA    L   306_B      L   306_B     5.201     0    0.029   0.148     5.813   23.810   28.333
LGA    S   307_B      S   307_B     6.852     0    0.156   0.633     8.377   11.310   10.397
LGA    T   308_B      T   308_B     7.375     0    0.020   0.086     7.375   10.833   10.952
LGA    E   309_B      E   309_B     7.858     3    0.123   0.686     9.277    8.571    4.286
LGA    L   310_B      L   310_B     6.139     0    0.039   0.081     6.795   18.333   22.321
LGA    F   311_B      F   311_B     5.746     0    0.391   0.511     6.025   21.548   30.130
LGA    N   312_B      N   312_B     8.045     0    0.472   1.387    11.713    5.952    3.036
LGA    Y   313_B      Y   313_B     7.869     0    0.586   0.466    10.003    4.762   14.603

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      279    1116   1116  100.00    1977   1977  100.00               281
SUMMARY(RMSD_GDC):     3.909          3.891                  4.118           57.864   54.578

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  306  281    4.0    234    2.35    64.947    62.121     9.559

LGA_LOCAL      RMSD:   2.348  Number of atoms:  234  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   4.006  Number of assigned atoms:  279 
Std_ASGN_ATOMS RMSD:   3.909  Standard rmsd on all 279 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.894620 * X  +   0.119352 * Y  +   0.430593 * Z  +   8.459369
  Y_new =   0.421479 * X  +   0.094562 * Y  +  -0.901894 * Z  +   8.655452
  Z_new =  -0.148361 * X  +   0.988339 * Y  +   0.034293 * Z  +  24.160208 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.440283  0.148910  1.536113   [DEG:   25.2264    8.5319   88.0128 ]
ZXZ:  0.445431  1.536497 -0.148999   [DEG:   25.5213   88.0348   -8.5370 ]
 
# END of job
