
#######################################################
#                                                     #
#                        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       4.13     4.13
  LCS_AVERAGE:     99.29

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   119      35_B - 153_B       1.99     4.92
  LONGEST_CONTINUOUS_SEGMENT:   119      36_B - 154_B       1.97     5.12
  LCS_AVERAGE:     33.43

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   100      51_B - 150_B       0.99     5.99
  LCS_AVERAGE:     23.27

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     14   17  279      7   73   96  115  134  155  185  215  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     K     9_B     K     9_B     14   17  279     13   68   96  115  134  156  189  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     I    10_B     I    10_B     14   17  279      7   71   96  115  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     T    11_B     T    11_B     14   19  279      7   54   96  115  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     N    12_B     N    12_B     14   19  279      7   14   79  112  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     S    13_B     S    13_B     14   30  279      7   14   83  115  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     I    14_B     I    14_B     14   33  279      4   53   92  115  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     V    15_B     V    15_B     14   33  279     22   69   96  115  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     N    16_B     N    16_B     14   33  279     41   74   96  115  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     L    17_B     L    17_B     14   33  279     10   74   96  115  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     I    18_B     I    18_B     29   33  279      7   58  105  122  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     G    19_B     G    19_B     29   33  279     15   84  110  128  134  139  186  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     N    20_B     N    20_B     29   33  279      4   36  106  128  134  154  193  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     T    21_B     T    21_B     29   48  279     53   93  110  128  134  154  193  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     P    22_B     P    22_B     29   48  279     53   93  110  128  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     I    23_B     I    23_B     29   48  279     52   93  110  128  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     V    24_B     V    24_B     29   48  279     57   93  110  128  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     K    25_B     K    25_B     29   48  279     67   93  110  128  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     L    26_B     L    26_B     29   48  279     67   93  110  128  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     N    27_B     N    27_B     29   48  279     65   93  110  128  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     R    28_B     R    28_B     29   48  279     67   93  110  128  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     V    29_B     V    29_B     29   48  279     67   93  110  128  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     V    30_B     V    30_B     29   48  279     67   93  110  128  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     P    31_B     P    31_B     29   48  279     67   93  110  128  134  159  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     E    32_B     E    32_B     29   48  279     60   93  110  128  134  157  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     D    33_B     D    33_B     29   48  279     22   93  110  128  134  157  191  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     A    34_B     A    34_B     29  118  279     67   93  110  128  134  160  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     A    35_B     A    35_B     29  119  279     67   93  110  128  134  163  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     D    36_B     D    36_B     29  119  279     67   93  110  128  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     V    37_B     V    37_B     29  119  279     67   93  110  128  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     Y    38_B     Y    38_B     29  119  279     67   93  110  128  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     V    39_B     V    39_B     29  119  279     67   93  110  128  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     K    40_B     K    40_B     29  119  279     67   93  110  128  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     L    41_B     L    41_B     29  119  279     67   93  110  128  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     E    42_B     E    42_B     29  119  279     67   93  110  128  134  162  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     F    43_B     F    43_B     29  119  279     64   93  110  128  134  153  192  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     F    44_B     F    44_B     29  119  279     61   93  110  128  134  149  180  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     N    45_B     N    45_B     29  119  279     43   93  110  128  134  138  180  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     P    46_B     P    46_B     29  119  279      4    8   87  126  134  138  153  197  227  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     G    47_B     G    47_B     31  119  279      4   38   78  107  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     G    48_B     G    48_B     31  119  279      4    7   22   50  102  157  191  218  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     S    49_B     S    49_B     33  119  279      3   32   56   97  129  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     I    50_B     I    50_B     99  119  279      3   34   62   97  132  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     K    51_B     K    51_B    100  119  279     11   27   64  101  128  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     D    52_B     D    52_B    100  119  279     16   71   93  111  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     R    53_B     R    53_B    100  119  279     21   69   96  115  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     I    54_B     I    54_B    100  119  279     15   48   92  115  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     A    55_B     A    55_B    100  119  279     13   50   93  113  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     L    56_B     L    56_B    100  119  279     34   75   96  115  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     A    57_B     A    57_B    100  119  279     20   69   96  115  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     M    58_B     M    58_B    100  119  279     17   58   95  115  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     I    59_B     I    59_B    100  119  279     32   75   96  115  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     E    60_B     E    60_B    100  119  279     28   75   96  115  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     E    61_B     E    61_B    100  119  279     21   72   96  115  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     A    62_B     A    62_B    100  119  279     22   75   96  115  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     E    63_B     E    63_B    100  119  279     33   75   96  115  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     K    64_B     K    64_B    100  119  279     28   75   96  115  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     A    65_B     A    65_B    100  119  279     23   75   96  115  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     G    66_B     G    66_B    100  119  279     40   75   96  115  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     K    67_B     K    67_B    100  119  279     41   75   96  115  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     L    68_B     L    68_B    100  119  279     41   75   96  115  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     Q    69_B     Q    69_B    100  119  279     41   75   96  115  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     A    70_B     A    70_B    100  119  279     19   70   96  115  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     G    71_B     G    71_B    100  119  279      5   59   95  115  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     G    72_B     G    72_B    100  119  279     43   75   96  115  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     T    73_B     T    73_B    100  119  279     43   75   96  115  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     I    74_B     I    74_B    100  119  279     43   75   96  115  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     V    75_B     V    75_B    100  119  279     43   75   96  115  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     E    76_B     E    76_B    100  119  279     43   75   96  115  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     P    77_B     P    77_B    100  119  279     43   75   96  115  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     T    78_B     T    78_B    100  119  279     41   75   96  115  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     S    79_B     S    79_B    100  119  279     41   75   96  115  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     G    80_B     G    80_B    100  119  279     41   75   96  115  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     N    81_B     N    81_B    100  119  279     12   71   96  115  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     T    82_B     T    82_B    100  119  279     24   68   96  115  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     G    83_B     G    83_B    100  119  279     24   75   96  115  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     V    84_B     V    84_B    100  119  279     29   75   96  115  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     G    85_B     G    85_B    100  119  279     29   75   96  115  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     L    86_B     L    86_B    100  119  279     36   75   96  115  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     A    87_B     A    87_B    100  119  279     43   75   96  115  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     M    88_B     M    88_B    100  119  279     43   75   96  115  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     V    89_B     V    89_B    100  119  279     41   75   96  115  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     A    90_B     A    90_B    100  119  279     43   75   96  115  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     A    91_B     A    91_B    100  119  279     43   75   96  115  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     A    92_B     A    92_B    100  119  279     38   75   96  115  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     K    93_B     K    93_B    100  119  279     42   75   96  115  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     G    94_B     G    94_B    100  119  279     43   75   96  115  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     Y    95_B     Y    95_B    100  119  279     43   75   96  115  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     H    96_B     H    96_B    100  119  279     43   75   96  115  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     L    97_B     L    97_B    100  119  279     43   75   96  115  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     V    98_B     V    98_B    100  119  279     43   75   96  115  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     I    99_B     I    99_B    100  119  279     43   75   96  115  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     T   100_B     T   100_B    100  119  279     43   75   96  115  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     M   101_B     M   101_B    100  119  279     43   75   96  115  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     P   102_B     P   102_B    100  119  279     43   75   96  115  134  162  193  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     E   103_B     E   103_B    100  119  279     41   75   96  115  134  162  193  218  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     T   104_B     T   104_B    100  119  279     43   75   96  115  134  162  193  218  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     M   105_B     M   105_B    100  119  279      5   74   96  115  134  162  193  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     S   106_B     S   106_B    100  119  279      3    3   75  110  134  162  193  218  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     V   107_B     V   107_B    100  119  279      3   25   92  115  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     E   108_B     E   108_B    100  119  279     18   63   96  115  134  162  193  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     R   109_B     R   109_B    100  119  279     24   75   96  115  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     R   110_B     R   110_B    100  119  279     41   75   96  115  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     K   111_B     K   111_B    100  119  279     43   75   96  115  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     L   112_B     L   112_B    100  119  279     43   75   96  115  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     M   113_B     M   113_B    100  119  279     43   75   96  115  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     Q   114_B     Q   114_B    100  119  279     43   75   96  115  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     G   115_B     G   115_B    100  119  279     43   75   96  115  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     Y   116_B     Y   116_B    100  119  279     43   75   96  115  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     G   117_B     G   117_B    100  119  279     43   75   96  115  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     A   118_B     A   118_B    100  119  279     43   75   96  115  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     E   119_B     E   119_B    100  119  279     43   75   96  115  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     L   120_B     L   120_B    100  119  279     43   75   96  115  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     I   121_B     I   121_B    100  119  279     43   75   96  115  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     L   122_B     L   122_B    100  119  279     41   75   96  115  134  162  193  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     T   123_B     T   123_B    100  119  279     38   75   96  112  134  162  193  218  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     P   124_B     P   124_B    100  119  279     21   71   94  111  130  149  176  204  224  238  244  250  255  260  267  270  271  274  275  275 
LCS_GDT     G   125_B     G   125_B    100  119  279     21   71   94  111  127  148  175  199  222  237  244  250  255  260  267  270  271  274  275  275 
LCS_GDT     A   126_B     A   126_B    100  119  279     21   53   88  107  122  140  160  184  206  229  240  249  254  259  265  269  271  274  275  275 
LCS_GDT     D   127_B     D   127_B    100  119  279     35   74   94  111  130  148  176  202  225  238  244  250  255  260  267  270  271  274  275  275 
LCS_GDT     G   128_B     G   128_B    100  119  279     27   72   95  111  130  154  180  209  230  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     M   129_B     M   129_B    100  119  279     41   75   96  112  134  162  193  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     K   130_B     K   130_B    100  119  279     41   75   96  112  134  162  193  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     G   131_B     G   131_B    100  119  279     41   75   96  112  134  162  193  218  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     A   132_B     A   132_B    100  119  279     43   75   96  115  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     I   133_B     I   133_B    100  119  279     43   75   96  115  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     A   134_B     A   134_B    100  119  279     43   75   96  115  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     K   135_B     K   135_B    100  119  279     43   75   96  115  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     A   136_B     A   136_B    100  119  279     43   75   96  115  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     E   137_B     E   137_B    100  119  279     43   75   96  115  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     E   138_B     E   138_B    100  119  279     43   75   96  115  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     L   139_B     L   139_B    100  119  279     43   75   96  115  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     V   140_B     V   140_B    100  119  279     43   75   96  115  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     K   141_B     K   141_B    100  119  279     43   75   96  115  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     E   142_B     E   142_B    100  119  279     29   75   96  115  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     K   143_B     K   143_B    100  119  279     15   67   96  115  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     G   144_B     G   144_B    100  119  279      8   57   95  115  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     Y   145_B     Y   145_B    100  119  279     15   75   96  115  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     F   146_B     F   146_B    100  119  279     43   75   96  115  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     M   147_B     M   147_B    100  119  279     43   75   96  115  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     P   148_B     P   148_B    100  119  279     18   75   96  115  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     M   149_B     M   149_B    100  119  279      4   22   50   94  131  162  193  218  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     Q   150_B     Q   150_B    100  119  279      5   42   87  105  124  162  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     F   151_B     F   151_B      6  119  279      3    6   42   88  131  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     D   152_B     D   152_B      6  119  279      4   11   26   69  106  152  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     N   153_B     N   153_B      6  119  279      4    6   30   49   63   89  120  146  185  207  237  251  256  260  267  270  271  274  275  275 
LCS_GDT     P   154_B     P   154_B      6  119  279      4   14   32   47   59   88  106  131  185  207  231  249  256  260  267  270  271  274  275  275 
LCS_GDT     A   155_B     A   155_B      6  116  279      4    6    6    7   10   12   15   59   70   86  101  125  156  199  212  242  262  274  275  275 
LCS_GDT     H   160_B     H   160_B      5   18  279      3    4    5   10   19   22   25   30   32   44   52   75  118  172  231  253  260  266  269  272 
LCS_GDT     E   161_B     E   161_B      5   18  279      3    4    6   15   22   32   59  104  147  188  219  234  250  260  267  270  271  274  275  275 
LCS_GDT     E   162_B     E   162_B     12   18  279      3    8   15   26   50   71  113  142  183  220  242  251  256  260  267  270  271  274  275  275 
LCS_GDT     T   163_B     T   163_B     12   18  279      8   11   15   18   40   58   83  106  147  180  210  236  250  260  267  270  271  274  275  275 
LCS_GDT     T   164_B     T   164_B     12   18  279      8   11   15   18   22   28   46   72  112  164  198  218  236  251  265  270  271  274  275  275 
LCS_GDT     G   165_B     G   165_B     12   18  279      8   11   15   25   40   64  103  154  188  220  242  251  256  260  267  270  271  274  275  275 
LCS_GDT     K   166_B     K   166_B     12   18  279      8   11   21   43   58   92  129  155  193  231  243  251  256  260  267  270  271  274  275  275 
LCS_GDT     E   167_B     E   167_B     12   18  279      8   11   26   46   53   76   99  138  147  161  200  227  250  260  267  270  271  274  275  275 
LCS_GDT     I   168_B     I   168_B     12   18  279      8   11   15   23   46   66  101  134  146  153  176  218  242  258  267  270  271  274  275  275 
LCS_GDT     L   169_B     L   169_B     12   44  279      8   15   57  104  127  138  141  144  160  196  232  251  256  260  267  270  271  274  275  275 
LCS_GDT     E   170_B     E   170_B     12   44  279      8   20   56   97  122  135  141  143  147  159  176  208  233  256  267  270  271  274  275  275 
LCS_GDT     A   171_B     A   171_B     12   44  279      4   11   15   35   63   95  120  138  145  150  155  168  180  223  255  266  271  274  275  275 
LCS_GDT     F   172_B     F   172_B     12   44  279      4   11   15   22   58   95  124  138  145  150  155  172  203  244  255  270  271  274  275  275 
LCS_GDT     G   173_B     G   173_B     12   44  279      7   11   19   36   50   91  117  138  144  150  154  162  177  198  240  266  271  274  275  275 
LCS_GDT     D   174_B     D   174_B     12   44  279      3    6   19   35   51   91  130  138  145  150  155  164  178  204  240  263  271  274  275  275 
LCS_GDT     D   175_B     D   175_B     12   44  279      3   11   19   36   64  115  132  143  146  152  166  204  233  255  267  270  271  274  275  275 
LCS_GDT     I   176_B     I   176_B     37   44  279     21   91  108  128  134  138  150  192  229  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     P   177_B     P   177_B     37   44  279     51   93  110  128  134  161  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     D   178_B     D   178_B     37   44  279     67   93  110  128  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     A   179_B     A   179_B     37   44  279     67   93  110  128  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     F   180_B     F   180_B     37   44  279     67   93  110  128  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     V   181_B     V   181_B     37   44  279     67   93  110  128  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     A   182_B     A   182_B     37   44  279     23   93  110  128  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     G   183_B     G   183_B     37   44  279     21   60  107  128  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     V   184_B     V   184_B     37   44  279     10   60  105  125  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     G   185_B     G   185_B     37   44  279     18   52   96  122  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     T   186_B     T   186_B     37   44  279      6   26   51  101  125  138  144  198  230  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     G   187_B     G   187_B     37   44  279      6   55  106  128  134  163  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     G   188_B     G   188_B     37   44  279     23   70   89  105  128  144  187  218  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     T   189_B     T   189_B     37   44  279      6   28   50  102  124  158  193  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     L   190_B     L   190_B     37   44  279     16   52  110  128  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     T   191_B     T   191_B     37   44  279     25   74  110  128  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     G   192_B     G   192_B     37   44  279     18   55  106  128  134  163  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     V   193_B     V   193_B     37   97  279     14   71  110  128  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     G   194_B     G   194_B     37   97  279     18   58  110  128  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     H   195_B     H   195_B     37   97  279     10   60  110  128  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     A   196_B     A   196_B     37   97  279     23   73  110  128  134  162  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     L   197_B     L   197_B     37   97  279     23   92  110  128  134  163  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     K   198_B     K   198_B     37   97  279     10   86  110  128  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     K   199_B     K   199_B     37   97  279     15   71  110  128  134  162  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     A   200_B     A   200_B     37   97  279     18   87  110  128  134  162  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     N   201_B     N   201_B     37   97  279     18   87  110  128  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     P   202_B     P   202_B     37   97  279     15   86  110  128  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     N   203_B     N   203_B     37   97  279     31   92  110  128  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     V   204_B     V   204_B     37   97  279     57   93  110  128  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     Q   205_B     Q   205_B     37   97  279     67   93  110  128  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     I   206_B     I   206_B     37   97  279     67   93  110  128  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     Y   207_B     Y   207_B     37   97  279     67   93  110  128  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     A   208_B     A   208_B     37   97  279     37   93  110  128  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     L   209_B     L   209_B     37   97  279     24   93  110  128  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     E   210_B     E   210_B     37   97  279     23   93  110  128  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     P   211_B     P   211_B     37   97  279     23   87  109  128  134  163  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     A   212_B     A   212_B     37   97  279     21   87  105  125  134  159  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     P   236_B     P   236_B      3   97  279      0    3    3    6   15   22   42   55   99  137  149  151  155  160  175  187  194  230  254  267 
LCS_GDT     K   237_B     K   237_B      3   97  279      1    3    3    4    8   18   43   56  124  136  140  149  153  159  173  189  198  245  254  272 
LCS_GDT     V   238_B     V   238_B      5   97  279      4    5    5    8   15   24   43   56   67   79  101  139  151  157  173  185  193  218  252  267 
LCS_GDT     L   239_B     L   239_B      6   97  279      4    6   13   35   82  125  140  143  164  185  204  219  245  259  267  270  271  274  275  275 
LCS_GDT     D   240_B     D   240_B     74   97  279      9   36   85  107  128  138  143  163  208  232  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     T   241_B     T   241_B     74   97  279      5   50  107  128  134  160  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     D   242_B     D   242_B     74   97  279     39   92  110  128  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     V   243_B     V   243_B     74   97  279     23   81  110  128  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     Y   244_B     Y   244_B     74   97  279     56   93  110  128  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     N   245_B     N   245_B     74   97  279     64   93  110  128  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     G   246_B     G   246_B     74   97  279     67   93  110  128  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     I   247_B     I   247_B     74   97  279     22   93  110  128  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     L   248_B     L   248_B     74   97  279     22   93  110  128  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     E   249_B     E   249_B     74   97  279     23   87  110  128  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     I   250_B     I   250_B     74   97  279     27   93  110  128  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     K   251_B     K   251_B     74   97  279     27   93  110  128  134  155  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     S   252_B     S   252_B     74   97  279     35   93  110  128  134  138  166  202  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     D   253_B     D   253_B     74   97  279     67   93  110  128  134  138  160  197  227  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     D   254_B     D   254_B     74   97  279     67   93  110  128  134  143  184  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     A   255_B     A   255_B     74   97  279     67   93  110  128  134  155  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     I   256_B     I   256_B     74   97  279     58   93  110  128  134  138  163  202  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     T   257_B     T   257_B     74   97  279     67   93  110  128  134  138  171  202  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     M   258_B     M   258_B     74   97  279     67   93  110  128  134  155  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     A   259_B     A   259_B     74   97  279     67   93  110  128  134  150  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     R   260_B     R   260_B     74   97  279     67   93  110  128  134  138  181  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     E   261_B     E   261_B     74   97  279     67   93  110  128  134  155  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     V   262_B     V   262_B     74   97  279     67   93  110  128  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     G   263_B     G   263_B     74   97  279     67   93  110  128  134  163  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     H   264_B     H   264_B     74   97  279     67   93  110  128  134  155  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     Q   265_B     Q   265_B     74   97  279     67   93  110  128  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     E   266_B     E   266_B     74   97  279     67   93  110  128  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     G   267_B     G   267_B     74   97  279     67   93  110  128  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     I   268_B     I   268_B     74   97  279     67   93  110  128  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     L   269_B     L   269_B     74   97  279     67   93  110  128  134  159  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     V   270_B     V   270_B     74   97  279     67   93  110  128  134  163  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     G   271_B     G   271_B     74   97  279     67   93  110  128  134  139  189  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     I   272_B     I   272_B     74   97  279     67   93  110  128  134  138  181  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     S   273_B     S   273_B     74   97  279     67   93  110  128  134  158  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     A   274_B     A   274_B     74   97  279     67   93  110  128  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     G   275_B     G   275_B     74   97  279     67   93  110  128  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     A   276_B     A   276_B     74   97  279     67   93  110  128  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     N   277_B     N   277_B     74   97  279     67   93  110  128  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     I   278_B     I   278_B     74   97  279     67   93  110  128  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     K   279_B     K   279_B     74   97  279     67   93  110  128  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     G   280_B     G   280_B     74   97  279     67   93  110  128  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     A   281_B     A   281_B     74   97  279     67   93  110  128  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     I   282_B     I   282_B     74   97  279     67   93  110  128  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     E   283_B     E   283_B     74   97  279     67   93  110  128  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     V   284_B     V   284_B     74   97  279     67   93  110  128  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     A   285_B     A   285_B     74   97  279     67   93  110  128  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     K   286_B     K   286_B     74   97  279     67   93  110  128  134  163  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     K   287_B     K   287_B     74   97  279     67   93  110  128  134  160  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     L   288_B     L   288_B     74   97  279     67   93  110  128  134  160  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     G   289_B     G   289_B     74   97  279     67   93  110  128  134  159  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     K   290_B     K   290_B     74   97  279     67   93  110  128  134  143  191  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     G   291_B     G   291_B     74   97  279     18   59  108  128  134  138  157  196  229  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     K   292_B     K   292_B     74   97  279     64   93  110  128  134  149  193  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     Q   293_B     Q   293_B     74   97  279     67   93  110  128  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     V   294_B     V   294_B     74   97  279     67   93  110  128  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     I   295_B     I   295_B     74   97  279     67   93  110  128  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     T   296_B     T   296_B     74   97  279     67   93  110  128  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     V   297_B     V   297_B     74   97  279     67   93  110  128  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     A   298_B     A   298_B     74   97  279     67   93  110  128  134  164  194  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     P   299_B     P   299_B     74   97  279     67   93  110  128  134  153  189  219  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     D   300_B     D   300_B     74   97  279     61   93  110  128  134  138  169  208  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     G   301_B     G   301_B     74   97  279     29   93  110  128  134  138  145  192  231  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     G   302_B     G   302_B     74   97  279     35   93  110  128  134  138  143  187  227  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     D   303_B     D   303_B     74   97  279     64   93  110  128  134  138  143  178  214  241  244  251  256  260  267  270  271  274  275  275 
LCS_GDT     R   304_B     R   304_B     74   97  279     30   91  110  128  134  138  143  151  183  223  240  251  256  260  267  270  271  274  275  275 
LCS_GDT     Y   305_B     Y   305_B     74   97  279     17   91  110  128  134  138  143  151  183  220  240  251  256  260  267  270  271  274  275  275 
LCS_GDT     L   306_B     L   306_B     74   97  279      5   91  108  128  134  138  143  148  167  197  238  248  256  260  267  270  271  274  275  275 
LCS_GDT     S   307_B     S   307_B     74   97  279     14   79  110  128  134  138  143  159  178  223  240  249  256  260  267  270  271  274  275  275 
LCS_GDT     T   308_B     T   308_B     74   97  279     14   91  108  128  134  138  143  148  166  184  218  244  256  260  267  270  271  274  275  275 
LCS_GDT     E   309_B     E   309_B     74   97  279     29   84  108  127  134  138  143  148  166  183  219  244  256  260  267  270  271  274  275  275 
LCS_GDT     L   310_B     L   310_B     74   97  279     24   93  109  128  134  138  143  167  203  231  243  251  256  260  267  270  271  274  275  275 
LCS_GDT     F   311_B     F   311_B     74   97  279     14   93  110  128  134  138  143  167  203  231  243  251  256  260  267  270  271  274  275  275 
LCS_GDT     N   312_B     N   312_B     74   97  279     19   83  105  123  134  138  143  146  166  183  219  242  253  259  267  270  271  274  275  275 
LCS_GDT     Y   313_B     Y   313_B     74   91  279      3    3    5   81  112  132  143  155  174  201  220  244  256  260  267  270  271  274  275  275 
LCS_AVERAGE  LCS_A:  52.00  (  23.27   33.43   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     67     93    110    128    134    164    194    219    231    241    244    251    256    260    267    270    271    274    275    275 
GDT PERCENT_AT  23.84  33.10  39.15  45.55  47.69  58.36  69.04  77.94  82.21  85.77  86.83  89.32  91.10  92.53  95.02  96.09  96.44  97.51  97.86  97.86
GDT RMS_LOCAL    0.32   0.49   0.73   0.97   1.08   1.95   2.28   2.51   2.62   2.77   2.82   3.03   3.17   3.23   3.48   3.60   3.62   3.77   3.82   3.82
GDT RMS_ALL_AT   7.40   7.39   7.07   6.96   6.85   4.30   4.23   4.21   4.22   4.21   4.21   4.17   4.17   4.17   4.15   4.14   4.14   4.14   4.14   4.14

# Checking swapping
#   possible swapping detected:  Y    38_B      Y    38_B
#   possible swapping detected:  E    42_B      E    42_B
#   possible swapping detected:  F    44_B      F    44_B
#   possible swapping detected:  E    76_B      E    76_B
#   possible swapping detected:  E   103_B      E   103_B
#   possible swapping detected:  E   108_B      E   108_B
#   possible swapping detected:  Y   116_B      Y   116_B
#   possible swapping detected:  E   119_B      E   119_B
#   possible swapping detected:  E   138_B      E   138_B
#   possible swapping detected:  Y   145_B      Y   145_B
#   possible swapping detected:  E   161_B      E   161_B
#   possible swapping detected:  E   162_B      E   162_B
#   possible swapping detected:  E   170_B      E   170_B
#   possible swapping detected:  Y   207_B      Y   207_B
#   possible swapping detected:  D   240_B      D   240_B
#   possible swapping detected:  D   242_B      D   242_B
#   possible swapping detected:  E   249_B      E   249_B
#   possible swapping detected:  D   253_B      D   253_B
#   possible swapping detected:  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:  Y   305_B      Y   305_B
#   possible swapping detected:  F   311_B      F   311_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    T     8_B      T     8_B     4.399     0    0.477   1.013     5.960   35.714   32.449
LGA    K     9_B      K     9_B     3.960     4    0.021   0.090     4.114   46.905   25.661
LGA    I    10_B      I    10_B     2.944     0    0.033   0.218     3.479   53.571   52.679
LGA    T    11_B      T    11_B     2.400     0    0.044   0.990     3.033   64.762   65.034
LGA    N    12_B      N    12_B     2.934     0    0.124   1.126     5.086   57.143   48.929
LGA    S    13_B      S    13_B     2.290     0    0.040   0.070     2.564   66.905   64.921
LGA    I    14_B      I    14_B     1.167     0    0.029   1.369     5.011   79.286   68.452
LGA    V    15_B      V    15_B     0.968     0    0.098   0.290     1.770   81.548   81.565
LGA    N    16_B      N    16_B     2.021     0    0.083   0.157     3.420   67.024   62.143
LGA    L    17_B      L    17_B     2.166     0    0.177   0.235     2.351   66.786   66.786
LGA    I    18_B      I    18_B     2.746     0    0.109   0.150     3.199   57.262   61.071
LGA    G    19_B      G    19_B     4.226     0    0.207   0.207     4.226   38.690   38.690
LGA    N    20_B      N    20_B     3.840     0    0.252   0.785     6.417   46.905   36.429
LGA    T    21_B      T    21_B     3.693     0    0.020   0.275     4.549   43.452   40.816
LGA    P    22_B      P    22_B     2.641     0    0.012   0.063     2.994   60.952   61.497
LGA    I    23_B      I    23_B     1.931     0    0.058   0.082     2.944   70.833   66.905
LGA    V    24_B      V    24_B     1.240     0    0.075   0.145     1.400   81.429   81.429
LGA    K    25_B      K    25_B     1.486     0    0.065   0.137     3.045   79.286   67.884
LGA    L    26_B      L    26_B     1.599     0    0.359   0.429     3.599   65.595   71.369
LGA    N    27_B      N    27_B     2.003     0    0.082   0.307     2.992   67.024   65.893
LGA    R    28_B      R    28_B     2.544     0    0.274   1.602     7.942   54.048   45.368
LGA    V    29_B      V    29_B     2.570     0    0.035   0.065     2.925   59.048   62.653
LGA    V    30_B      V    30_B     2.539     0    0.022   1.368     3.841   57.143   56.395
LGA    P    31_B      P    31_B     3.434     0    0.046   0.059     3.524   50.119   50.136
LGA    E    32_B      E    32_B     3.876     4    0.036   0.065     4.200   43.333   23.386
LGA    D    33_B      D    33_B     3.978     0    0.048   0.676     4.259   43.333   45.298
LGA    A    34_B      A    34_B     3.427     0    0.039   0.052     3.617   46.667   47.333
LGA    A    35_B      A    35_B     2.988     0    0.034   0.085     3.206   59.167   58.762
LGA    D    36_B      D    36_B     2.294     0    0.046   0.122     3.250   66.905   60.238
LGA    V    37_B      V    37_B     1.187     0    0.057   0.095     1.608   79.286   82.789
LGA    Y    38_B      Y    38_B     1.232     0    0.012   0.252     3.474   83.690   66.786
LGA    V    39_B      V    39_B     1.184     0    0.036   0.103     1.638   77.143   80.272
LGA    K    40_B      K    40_B     2.096     0    0.032   0.576     4.481   66.786   58.466
LGA    L    41_B      L    41_B     2.423     0    0.027   1.101     3.217   59.167   60.357
LGA    E    42_B      E    42_B     3.360     0    0.022   1.010     6.515   48.452   41.111
LGA    F    43_B      F    43_B     3.831     0    0.023   0.154     4.348   40.238   43.550
LGA    F    44_B      F    44_B     4.411     0    0.124   0.841     8.635   31.786   20.996
LGA    N    45_B      N    45_B     4.404     0    0.093   1.076     5.470   41.905   38.155
LGA    P    46_B      P    46_B     5.213     0    0.050   0.237     7.441   31.786   23.946
LGA    G    47_B      G    47_B     2.218     0    0.161   0.161     5.540   50.595   50.595
LGA    G    48_B      G    48_B     3.950     0    0.087   0.087     5.024   42.500   42.500
LGA    S    49_B      S    49_B     2.744     0    0.119   0.535     2.920   57.143   59.762
LGA    I    50_B      I    50_B     2.797     0    0.145   1.131     4.355   59.048   57.500
LGA    K    51_B      K    51_B     3.006     2    0.159   0.793     3.302   53.571   42.910
LGA    D    52_B      D    52_B     2.660     0    0.050   0.233     4.306   60.952   52.321
LGA    R    53_B      R    53_B     1.120     0    0.052   1.079     4.663   79.286   78.139
LGA    I    54_B      I    54_B     2.030     0    0.033   0.697     3.029   66.786   63.929
LGA    A    55_B      A    55_B     2.240     0    0.021   0.045     2.567   68.810   66.476
LGA    L    56_B      L    56_B     1.563     0    0.050   0.171     1.743   75.000   78.214
LGA    A    57_B      A    57_B     1.625     0    0.093   0.103     1.639   72.857   72.857
LGA    M    58_B      M    58_B     1.772     0    0.056   0.254     2.804   72.857   66.905
LGA    I    59_B      I    59_B     1.518     0    0.037   0.111     2.126   77.143   73.988
LGA    E    60_B      E    60_B     1.558     0    0.007   0.162     1.758   72.857   74.762
LGA    E    61_B      E    61_B     1.557     0    0.039   0.954     3.417   72.857   66.878
LGA    A    62_B      A    62_B     1.607     0    0.053   0.051     1.933   72.857   72.857
LGA    E    63_B      E    63_B     1.867     0    0.050   0.288     2.354   72.857   70.159
LGA    K    64_B      K    64_B     2.024     4    0.058   0.062     2.131   66.786   37.778
LGA    A    65_B      A    65_B     1.958     0    0.098   0.110     2.309   70.833   69.619
LGA    G    66_B      G    66_B     2.074     0    0.161   0.161     2.275   64.762   64.762
LGA    K    67_B      K    67_B     2.023     4    0.139   0.150     2.312   68.810   37.778
LGA    L    68_B      L    68_B     1.554     0    0.082   1.387     3.178   70.833   69.048
LGA    Q    69_B      Q    69_B     2.382     4    0.072   0.125     2.905   64.762   35.132
LGA    A    70_B      A    70_B     2.513     0    0.668   0.622     4.056   54.048   54.667
LGA    G    71_B      G    71_B     2.799     0    0.058   0.058     2.799   57.143   57.143
LGA    G    72_B      G    72_B     2.393     0    0.078   0.078     2.421   64.762   64.762
LGA    T    73_B      T    73_B     1.542     0    0.062   0.068     2.048   77.143   74.150
LGA    I    74_B      I    74_B     0.954     0    0.013   0.099     1.274   85.952   88.214
LGA    V    75_B      V    75_B     1.180     0    0.081   0.995     3.425   81.429   78.231
LGA    E    76_B      E    76_B     1.120     0    0.062   1.087     5.341   81.429   69.101
LGA    P    77_B      P    77_B     1.679     0    0.068   0.140     1.913   72.857   74.082
LGA    T    78_B      T    78_B     1.675     0    0.072   0.176     1.968   72.857   72.857
LGA    S    79_B      S    79_B     1.924     0    0.037   0.135     2.918   72.857   68.889
LGA    G    80_B      G    80_B     2.070     0    0.170   0.170     2.100   68.810   68.810
LGA    N    81_B      N    81_B     1.688     3    0.065   0.112     2.350   77.143   46.667
LGA    T    82_B      T    82_B     1.805     0    0.047   0.141     2.666   77.143   69.660
LGA    G    83_B      G    83_B     0.904     0    0.060   0.060     1.089   88.214   88.214
LGA    V    84_B      V    84_B     1.268     0    0.020   0.116     1.887   81.429   77.755
LGA    G    85_B      G    85_B     1.709     0    0.048   0.048     1.709   75.000   75.000
LGA    L    86_B      L    86_B     1.166     0    0.022   0.169     1.659   81.429   81.488
LGA    A    87_B      A    87_B     0.751     0    0.048   0.049     0.990   90.476   90.476
LGA    M    88_B      M    88_B     1.501     0    0.080   0.917     3.169   75.000   68.095
LGA    V    89_B      V    89_B     2.043     0    0.048   0.138     2.658   68.810   64.898
LGA    A    90_B      A    90_B     1.299     0    0.036   0.050     1.731   79.286   81.524
LGA    A    91_B      A    91_B     1.325     0    0.036   0.040     2.034   75.119   76.381
LGA    A    92_B      A    92_B     2.338     0    0.088   0.085     2.577   64.881   64.857
LGA    K    93_B      K    93_B     2.451     0    0.063   0.807     2.777   62.857   67.778
LGA    G    94_B      G    94_B     2.296     0    0.040   0.040     2.296   64.762   64.762
LGA    Y    95_B      Y    95_B     1.667     0    0.046   0.198     2.378   72.857   69.484
LGA    H    96_B      H    96_B     1.483     0    0.035   1.428     7.408   79.286   50.095
LGA    L    97_B      L    97_B     0.993     0    0.024   0.149     1.278   83.690   89.464
LGA    V    98_B      V    98_B     1.515     0    0.037   0.071     1.853   79.286   76.531
LGA    I    99_B      I    99_B     1.411     0    0.015   0.093     2.103   75.119   77.202
LGA    T   100_B      T   100_B     2.114     0    0.074   0.119     2.277   66.786   65.918
LGA    M   101_B      M   101_B     2.579     0    0.058   0.428     2.926   59.048   66.131
LGA    P   102_B      P   102_B     3.448     0    0.025   0.241     3.750   50.000   49.048
LGA    E   103_B      E   103_B     3.548     0    0.035   0.132     5.529   45.000   35.820
LGA    T   104_B      T   104_B     3.927     0    0.054   0.094     4.669   43.333   39.048
LGA    M   105_B      M   105_B     3.476     0    0.078   1.145     4.144   45.119   53.274
LGA    S   106_B      S   106_B     3.739     0    0.360   0.777     7.421   46.667   36.349
LGA    V   107_B      V   107_B     3.022     0    0.661   1.358     5.534   50.119   43.197
LGA    E   108_B      E   108_B     3.706     0    0.055   0.948     5.597   50.238   41.587
LGA    R   109_B      R   109_B     1.801     4    0.057   0.694     2.348   77.381   48.788
LGA    R   110_B      R   110_B     1.594     0    0.113   0.897     3.961   72.857   64.459
LGA    K   111_B      K   111_B     1.705     0    0.030   0.890     6.014   77.143   60.741
LGA    L   112_B      L   112_B     1.210     0    0.039   1.349     3.828   83.690   70.833
LGA    M   113_B      M   113_B     1.089     0    0.010   0.270     1.812   83.690   81.488
LGA    Q   114_B      Q   114_B     1.063     0    0.018   0.255     2.439   85.952   78.730
LGA    G   115_B      G   115_B     0.771     0    0.065   0.065     0.898   90.476   90.476
LGA    Y   116_B      Y   116_B     0.526     0    0.037   0.217     1.654   92.857   86.825
LGA    G   117_B      G   117_B     0.773     0    0.071   0.071     1.466   85.952   85.952
LGA    A   118_B      A   118_B     1.155     0    0.024   0.036     1.561   79.286   79.714
LGA    E   119_B      E   119_B     1.907     0    0.041   0.717     3.166   72.857   66.720
LGA    L   120_B      L   120_B     2.079     0    0.015   0.348     2.922   60.952   63.929
LGA    I   121_B      I   121_B     2.864     1    0.065   0.068     3.115   57.143   49.107
LGA    L   122_B      L   122_B     3.208     0    0.063   0.119     3.620   48.333   49.226
LGA    T   123_B      T   123_B     3.880     0    0.030   0.095     4.262   40.238   41.565
LGA    P   124_B      P   124_B     5.185     0    0.029   0.130     5.702   27.500   25.578
LGA    G   125_B      G   125_B     5.466     0    0.055   0.055     5.787   23.810   23.810
LGA    A   126_B      A   126_B     6.488     0    0.031   0.043     6.789   17.143   16.381
LGA    D   127_B      D   127_B     5.160     0    0.118   0.353     6.122   29.048   27.143
LGA    G   128_B      G   128_B     4.718     0    0.020   0.020     4.921   34.286   34.286
LGA    M   129_B      M   129_B     3.565     0    0.093   0.616     4.130   45.119   46.786
LGA    K   130_B      K   130_B     3.734     4    0.048   0.088     3.840   45.000   24.815
LGA    G   131_B      G   131_B     4.004     0    0.075   0.075     4.004   41.786   41.786
LGA    A   132_B      A   132_B     3.010     0    0.024   0.033     3.440   55.476   55.810
LGA    I   133_B      I   133_B     2.285     0    0.070   0.139     2.690   62.857   63.869
LGA    A   134_B      A   134_B     2.953     0    0.037   0.048     3.288   57.143   55.714
LGA    K   135_B      K   135_B     3.001     0    0.025   0.677     4.994   53.571   48.042
LGA    A   136_B      A   136_B     2.173     0    0.055   0.060     2.538   62.857   64.857
LGA    E   137_B      E   137_B     2.058     2    0.041   0.089     2.374   64.762   54.021
LGA    E   138_B      E   138_B     2.686     0    0.023   1.202     7.137   57.143   39.735
LGA    L   139_B      L   139_B     2.513     0    0.022   0.142     3.133   59.048   58.155
LGA    V   140_B      V   140_B     2.235     0    0.177   0.212     2.429   64.762   65.918
LGA    K   141_B      K   141_B     2.682     4    0.074   0.086     2.943   57.143   31.746
LGA    E   142_B      E   142_B     2.424     4    0.072   0.122     2.597   62.857   35.132
LGA    K   143_B      K   143_B     1.977     4    0.681   0.627     4.193   59.881   34.709
LGA    G   144_B      G   144_B     1.204     0    0.231   0.231     2.052   77.262   77.262
LGA    Y   145_B      Y   145_B     1.230     0    0.065   0.099     1.987   83.690   77.183
LGA    F   146_B      F   146_B     1.301     0    0.077   0.103     1.567   81.429   79.870
LGA    M   147_B      M   147_B     1.156     0    0.096   0.175     1.661   79.286   80.357
LGA    P   148_B      P   148_B     1.587     0    0.279   0.320     3.323   67.262   72.109
LGA    M   149_B      M   149_B     3.390     3    0.262   0.302     4.382   61.190   35.238
LGA    Q   150_B      Q   150_B     3.430     4    0.666   0.615     5.479   48.571   24.497
LGA    F   151_B      F   151_B     2.935     0    0.050   1.196    11.608   66.905   29.177
LGA    D   152_B      D   152_B     3.785     3    0.154   0.163     5.625   40.238   23.393
LGA    N   153_B      N   153_B     6.999     3    0.129   0.169     8.115   17.500    9.345
LGA    P   154_B      P   154_B     7.592     0    0.236   0.232     9.744    5.000    4.014
LGA    A   155_B      A   155_B    12.232     0    0.539   0.546    14.183    0.000    0.000
LGA    H   160_B      H   160_B    12.079     5    0.606   0.597    12.970    0.000    0.000
LGA    E   161_B      E   161_B     8.455     0    0.151   0.792     9.586    4.881    6.296
LGA    E   162_B      E   162_B     6.938     0    0.150   0.821     8.468   11.667    8.413
LGA    T   163_B      T   163_B     8.502     0    0.141   0.216     9.862    3.333    2.585
LGA    T   164_B      T   164_B     9.609     0    0.066   0.091    11.092    1.905    1.088
LGA    G   165_B      G   165_B     6.983     0    0.029   0.029     7.801   11.786   11.786
LGA    K   166_B      K   166_B     6.855     4    0.056   0.069     7.650   10.238    6.032
LGA    E   167_B      E   167_B     9.245     0    0.052   0.473    10.874    2.024    0.899
LGA    I   168_B      I   168_B     9.366     0    0.029   0.097     9.974    1.786    1.369
LGA    L   169_B      L   169_B     7.730     0    0.029   1.159     8.735    4.881   12.381
LGA    E   170_B      E   170_B     9.562     0    0.013   0.956    13.216    0.833    0.476
LGA    A   171_B      A   171_B    11.143     0    0.094   0.096    11.915    0.000    0.000
LGA    F   172_B      F   172_B    10.217     0    0.040   0.229    10.352    0.000    0.736
LGA    G   173_B      G   173_B    10.962     0    0.660   0.660    10.962    0.357    0.357
LGA    D   174_B      D   174_B    11.215     0    0.144   0.244    14.495    0.119    0.060
LGA    D   175_B      D   175_B     9.342     0    0.251   0.844    10.416    2.262    1.190
LGA    I   176_B      I   176_B     5.281     0    0.161   1.145     6.630   25.595   24.286
LGA    P   177_B      P   177_B     3.395     0    0.078   0.412     4.188   48.571   47.415
LGA    D   178_B      D   178_B     2.828     0    0.026   0.214     4.618   60.952   51.488
LGA    A   179_B      A   179_B     1.889     0    0.021   0.035     2.297   70.833   71.238
LGA    F   180_B      F   180_B     1.532     0    0.020   0.163     2.224   77.143   72.208
LGA    V   181_B      V   181_B     1.032     0    0.021   0.073     1.155   81.429   84.014
LGA    A   182_B      A   182_B     1.354     0    0.024   0.034     1.543   79.286   78.000
LGA    G   183_B      G   183_B     1.838     0    0.053   0.053     1.838   75.000   75.000
LGA    V   184_B      V   184_B     1.944     0    0.142   1.074     3.213   68.810   65.034
LGA    G   185_B      G   185_B     2.648     0    0.033   0.033     4.094   50.595   50.595
LGA    T   186_B      T   186_B     5.210     0    0.080   0.131     6.878   29.048   24.014
LGA    G   187_B      G   187_B     3.300     0    0.058   0.058     3.790   48.333   48.333
LGA    G   188_B      G   188_B     4.580     0    0.070   0.070     4.580   35.714   35.714
LGA    T   189_B      T   189_B     4.126     0    0.025   0.128     5.272   41.905   37.483
LGA    L   190_B      L   190_B     2.468     0    0.018   1.331     2.872   62.857   67.024
LGA    T   191_B      T   191_B     2.430     0    0.035   0.115     2.977   60.952   60.408
LGA    G   192_B      G   192_B     3.182     0    0.030   0.030     3.182   51.786   51.786
LGA    V   193_B      V   193_B     2.998     0    0.051   0.134     3.288   55.357   53.061
LGA    G   194_B      G   194_B     2.333     0    0.069   0.069     2.435   64.762   64.762
LGA    H   195_B      H   195_B     2.795     0    0.026   1.140     4.489   53.571   55.476
LGA    A   196_B      A   196_B     3.466     0    0.013   0.046     3.816   48.333   47.333
LGA    L   197_B      L   197_B     3.102     0    0.028   0.077     3.379   51.786   53.571
LGA    K   198_B      K   198_B     2.702     0    0.038   0.650     3.720   57.143   57.354
LGA    K   199_B      K   199_B     3.313     2    0.051   0.216     3.422   50.000   38.889
LGA    A   200_B      A   200_B     3.199     0    0.040   0.054     3.421   50.000   50.000
LGA    N   201_B      N   201_B     3.029     0    0.039   0.387     4.543   51.786   47.738
LGA    P   202_B      P   202_B     2.590     0    0.104   0.118     3.058   57.143   56.122
LGA    N   203_B      N   203_B     2.465     0    0.055   1.115     3.835   62.857   57.381
LGA    V   204_B      V   204_B     2.350     0    0.034   1.001     4.001   68.810   58.980
LGA    Q   205_B      Q   205_B     1.654     0    0.020   0.387     3.217   75.000   70.370
LGA    I   206_B      I   206_B     1.442     0    0.033   0.076     2.040   81.429   77.202
LGA    Y   207_B      Y   207_B     0.989     0    0.060   0.089     1.541   83.690   85.992
LGA    A   208_B      A   208_B     1.323     0    0.025   0.060     1.581   81.429   79.714
LGA    L   209_B      L   209_B     1.655     0    0.031   1.133     3.988   70.952   64.286
LGA    E   210_B      E   210_B     2.488     0    0.048   0.340     2.673   60.952   64.868
LGA    P   211_B      P   211_B     3.066     0    0.076   0.308     3.524   51.786   51.088
LGA    A   212_B      A   212_B     3.344     0    0.567   0.513     3.675   48.333   48.667
LGA    P   236_B      P   236_B    14.735     0    0.503   0.757    15.646    0.000    0.000
LGA    K   237_B      K   237_B    14.933     0    0.502   1.007    17.917    0.000    0.000
LGA    V   238_B      V   238_B    14.581     0    0.591   0.940    17.047    0.000    0.000
LGA    L   239_B      L   239_B     8.549     0    0.145   1.432    10.729    3.095    8.988
LGA    D   240_B      D   240_B     6.703     0    0.022   0.203     7.990   20.238   16.607
LGA    T   241_B      T   241_B     3.342     0    0.126   0.177     5.227   56.905   46.054
LGA    D   242_B      D   242_B     2.362     0    0.221   0.183     3.901   62.857   56.488
LGA    V   243_B      V   243_B     1.639     0    0.061   0.113     1.894   77.143   79.048
LGA    Y   244_B      Y   244_B     1.204     0    0.075   0.497     2.582   81.429   73.135
LGA    N   245_B      N   245_B     1.019     0    0.048   0.315     1.639   83.690   81.488
LGA    G   246_B      G   246_B     1.098     0    0.094   0.094     1.098   88.214   88.214
LGA    I   247_B      I   247_B     0.856     0    0.037   0.070     1.179   90.476   85.952
LGA    L   248_B      L   248_B     0.897     0    0.080   0.122     1.107   88.214   89.345
LGA    E   249_B      E   249_B     1.939     0    0.093   0.403     3.054   68.810   70.476
LGA    I   250_B      I   250_B     2.911     0    0.045   0.603     4.191   53.571   52.917
LGA    K   251_B      K   251_B     3.993     2    0.051   0.108     4.649   41.905   30.370
LGA    S   252_B      S   252_B     4.759     0    0.022   0.574     5.927   31.429   28.889
LGA    D   253_B      D   253_B     5.307     0    0.084   0.976     8.704   28.810   18.929
LGA    D   254_B      D   254_B     4.215     0    0.038   0.707     5.902   38.810   35.298
LGA    A   255_B      A   255_B     3.697     0    0.062   0.081     4.021   41.786   42.095
LGA    I   256_B      I   256_B     4.870     0    0.019   0.094     5.891   32.857   28.333
LGA    T   257_B      T   257_B     4.836     0    0.044   0.120     5.320   34.286   31.565
LGA    M   258_B      M   258_B     3.582     0    0.032   0.871     4.060   43.452   46.786
LGA    A   259_B      A   259_B     3.718     0    0.051   0.055     3.954   43.333   43.333
LGA    R   260_B      R   260_B     4.346     0    0.012   1.375    10.120   37.143   22.684
LGA    E   261_B      E   261_B     3.725     0    0.026   0.899     3.974   46.667   48.571
LGA    V   262_B      V   262_B     2.442     0    0.008   0.066     2.891   60.952   62.585
LGA    G   263_B      G   263_B     3.159     0    0.093   0.093     3.171   53.571   53.571
LGA    H   264_B      H   264_B     3.526     0    0.120   0.843     5.352   50.119   41.381
LGA    Q   265_B      Q   265_B     2.821     0    0.030   1.371     5.339   59.167   53.122
LGA    E   266_B      E   266_B     1.697     0    0.026   0.171     2.098   72.976   74.815
LGA    G   267_B      G   267_B     1.930     0    0.058   0.058     1.930   72.857   72.857
LGA    I   268_B      I   268_B     1.988     0    0.033   0.155     2.754   65.000   71.071
LGA    L   269_B      L   269_B     3.389     0    0.030   1.346     5.902   50.119   45.714
LGA    V   270_B      V   270_B     3.274     0    0.023   0.113     3.673   46.667   51.156
LGA    G   271_B      G   271_B     3.895     0    0.039   0.039     3.895   43.333   43.333
LGA    I   272_B      I   272_B     4.104     0    0.021   0.179     5.342   40.238   36.607
LGA    S   273_B      S   273_B     3.409     0    0.103   0.496     3.795   48.333   46.667
LGA    A   274_B      A   274_B     2.739     0    0.042   0.045     2.929   59.048   58.667
LGA    G   275_B      G   275_B     2.949     0    0.034   0.034     2.949   57.143   57.143
LGA    A   276_B      A   276_B     2.996     0    0.033   0.047     3.319   55.357   54.286
LGA    N   277_B      N   277_B     2.239     0    0.013   0.048     2.580   66.905   64.881
LGA    I   278_B      I   278_B     1.775     0    0.050   0.089     1.982   72.857   72.857
LGA    K   279_B      K   279_B     2.370     0    0.039   0.125     3.583   64.762   56.614
LGA    G   280_B      G   280_B     1.753     0    0.066   0.066     2.007   75.119   75.119
LGA    A   281_B      A   281_B     0.784     0    0.027   0.044     1.179   83.690   85.048
LGA    I   282_B      I   282_B     1.822     0    0.016   0.096     2.343   70.952   67.857
LGA    E   283_B      E   283_B     2.176     0    0.085   0.859     2.475   64.762   66.561
LGA    V   284_B      V   284_B     1.590     0    0.027   0.065     2.101   70.833   76.667
LGA    A   285_B      A   285_B     2.029     0    0.022   0.045     2.809   64.881   66.476
LGA    K   286_B      K   286_B     2.982     0    0.022   0.678     5.177   53.571   48.995
LGA    K   287_B      K   287_B     3.182     2    0.096   0.152     3.577   48.333   39.735
LGA    L   288_B      L   288_B     3.173     0    0.015   0.165     3.867   48.333   52.798
LGA    G   289_B      G   289_B     3.601     0    0.057   0.057     3.766   45.000   45.000
LGA    K   290_B      K   290_B     4.183     2    0.661   0.983     4.605   37.143   29.048
LGA    G   291_B      G   291_B     5.139     0    0.026   0.026     5.139   30.119   30.119
LGA    K   292_B      K   292_B     3.774     0    0.057   0.542     4.681   45.119   42.169
LGA    Q   293_B      Q   293_B     2.956     0    0.055   1.198     5.947   55.357   42.434
LGA    V   294_B      V   294_B     1.709     0    0.048   0.076     2.004   72.976   76.599
LGA    I   295_B      I   295_B     1.624     0    0.046   1.119     3.945   77.143   73.571
LGA    T   296_B      T   296_B     1.217     0    0.017   0.100     1.614   77.143   80.272
LGA    V   297_B      V   297_B     2.108     0    0.046   1.085     4.428   66.786   64.354
LGA    A   298_B      A   298_B     2.573     0    0.068   0.088     2.935   59.048   60.190
LGA    P   299_B      P   299_B     3.938     0    0.103   0.238     4.485   41.905   43.537
LGA    D   300_B      D   300_B     4.600     0    0.096   0.313     4.826   37.262   36.548
LGA    G   301_B      G   301_B     4.892     0    0.063   0.063     5.273   28.810   28.810
LGA    G   302_B      G   302_B     5.097     0    0.020   0.020     5.681   26.310   26.310
LGA    D   303_B      D   303_B     5.545     0    0.146   1.187     6.642   18.333   24.286
LGA    R   304_B      R   304_B     6.496     6    0.044   0.053     6.989   15.238    7.100
LGA    Y   305_B      Y   305_B     6.611     0    0.070   0.290     7.025   12.500   19.286
LGA    L   306_B      L   306_B     7.195     0    0.653   0.634    10.154    6.190    9.821
LGA    S   307_B      S   307_B     7.158     0    0.059   0.723     8.111    8.810    8.730
LGA    T   308_B      T   308_B     8.001     0    0.067   0.165     8.001    7.262    7.211
LGA    E   309_B      E   309_B     8.074     3    0.145   0.695     9.409    5.952    3.122
LGA    L   310_B      L   310_B     6.311     0    0.068   0.150     7.022   16.429   21.369
LGA    F   311_B      F   311_B     6.285     0    0.366   0.434     6.740   16.190   20.866
LGA    N   312_B      N   312_B     8.565     0    0.640   1.256    14.171    6.786    3.393
LGA    Y   313_B      Y   313_B     7.885     0    0.057   0.232     9.706    3.810    8.611

# 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):     4.131          4.116                  4.382           53.751   50.562

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  306  281    4.0    219    2.51    63.167    57.689     8.375

LGA_LOCAL      RMSD:   2.515  Number of atoms:  219  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   4.214  Number of assigned atoms:  279 
Std_ASGN_ATOMS RMSD:   4.131  Standard rmsd on all 279 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.871824 * X  +  -0.319425 * Y  +   0.371335 * Z  +  10.627093
  Y_new =  -0.385268 * X  +   0.915338 * Y  +  -0.117155 * Z  +   1.777053
  Z_new =  -0.302474 * X  +  -0.245202 * Y  +  -0.921078 * Z  +   0.884096 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.725487  0.307288 -2.881415   [DEG: -156.1589   17.6063 -165.0929 ]
ZXZ:  1.265183  2.741637 -2.252000   [DEG:   72.4896  157.0842 -129.0301 ]
 
# END of job
