
#######################################################
#                                                     #
#                        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       4.14     4.14
  LCS_AVERAGE:     99.29

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   119      34_B - 152_B       1.99     4.74
  LONGEST_CONTINUOUS_SEGMENT:   119      35_B - 153_B       1.97     4.90
  LONGEST_CONTINUOUS_SEGMENT:   119      36_B - 154_B       1.96     5.09
  LCS_AVERAGE:     33.58

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    99      50_B - 148_B       1.00     5.87
  LONGEST_CONTINUOUS_SEGMENT:    99      51_B - 149_B       0.99     5.90
  LONGEST_CONTINUOUS_SEGMENT:    99      52_B - 150_B       0.97     5.93
  LCS_AVERAGE:     23.08

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     10   14  279     13   36   87  109  133  158  193  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     K     9_B     K     9_B     10   14  279      5   62   98  115  134  164  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     I    10_B     I    10_B     10   14  279      4    7   72  116  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     T    11_B     T    11_B     10   14  279      5   34   98  116  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     N    12_B     N    12_B     10   14  279      5   20   98  116  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     S    13_B     S    13_B     10   14  279      5   20   98  116  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     I    14_B     I    14_B     10   14  279      5   64   98  116  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     V    15_B     V    15_B     10   31  279     16   65   98  116  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     N    16_B     N    16_B     10   32  279     33   79   98  116  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     L    17_B     L    17_B     10   32  279      5   79   98  116  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     I    18_B     I    18_B      9   32  279      8   60  106  125  133  166  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     G    19_B     G    19_B     26   32  279      3    3    5    8   17  116  136  142  150  165  186  227  258  261  267  270  273  275  275  275 
LCS_GDT     N    20_B     N    20_B     27   32  279      3   62  102  129  133  137  172  218  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     T    21_B     T    21_B     27   49  279     74   98  114  129  133  148  190  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     P    22_B     P    22_B     27   49  279     70   98  114  129  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     I    23_B     I    23_B     27   49  279     59   98  114  129  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     V    24_B     V    24_B     27   49  279     71   98  114  129  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     K    25_B     K    25_B     27   49  279     74   98  114  129  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     L    26_B     L    26_B     27   49  279     74   98  114  129  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     N    27_B     N    27_B     27   49  279     61   98  114  129  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     R    28_B     R    28_B     27   49  279     74   98  114  129  133  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     V    29_B     V    29_B     27   49  279     74   98  114  129  133  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     V    30_B     V    30_B     27   49  279     74   98  114  129  133  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     P    31_B     P    31_B     27   49  279     74   98  114  129  133  163  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     E    32_B     E    32_B     27   49  279     68   98  114  129  133  159  196  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     D    33_B     D    33_B     27   49  279     46   98  114  129  133  159  196  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     A    34_B     A    34_B     27  119  279     74   98  114  129  133  163  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     A    35_B     A    35_B     27  119  279     74   98  114  129  133  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     D    36_B     D    36_B     27  119  279     74   98  114  129  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     V    37_B     V    37_B     27  119  279     74   98  114  129  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     Y    38_B     Y    38_B     27  119  279     74   98  114  129  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     V    39_B     V    39_B     27  119  279     74   98  114  129  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     K    40_B     K    40_B     27  119  279     74   98  114  129  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     L    41_B     L    41_B     27  119  279     74   98  114  129  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     E    42_B     E    42_B     27  119  279     74   98  114  129  134  164  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     F    43_B     F    43_B     27  119  279     74   98  114  129  133  157  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     F    44_B     F    44_B     27  119  279     74   98  114  129  133  147  190  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     N    45_B     N    45_B     27  119  279     25   97  114  129  133  144  190  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     P    46_B     P    46_B     27  119  279      4   37   90  127  133  137  161  204  232  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     G    47_B     G    47_B     31  119  279      4   43   87  110  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     G    48_B     G    48_B     31  119  279      4   11   23   37  101  152  186  217  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     S    49_B     S    49_B     32  119  279      4   28   57   97  134  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     I    50_B     I    50_B     99  119  279      4   34   66  101  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     K    51_B     K    51_B     99  119  279      5   24   67  104  130  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     D    52_B     D    52_B     99  119  279     17   73   94  112  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     R    53_B     R    53_B     99  119  279     21   74   98  116  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     I    54_B     I    54_B     99  119  279     15   45   90  116  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     A    55_B     A    55_B     99  119  279     15   54   95  116  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     L    56_B     L    56_B     99  119  279     28   79   98  116  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     A    57_B     A    57_B     99  119  279     15   71   98  116  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     M    58_B     M    58_B     99  119  279     15   55   98  116  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     I    59_B     I    59_B     99  119  279     25   79   98  116  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     E    60_B     E    60_B     99  119  279     20   79   98  116  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     E    61_B     E    61_B     99  119  279     20   74   98  116  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     A    62_B     A    62_B     99  119  279     20   79   98  116  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     E    63_B     E    63_B     99  119  279     29   79   98  116  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     K    64_B     K    64_B     99  119  279     20   79   98  116  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     A    65_B     A    65_B     99  119  279     16   79   98  116  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     G    66_B     G    66_B     99  119  279     38   79   98  116  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     K    67_B     K    67_B     99  119  279     33   79   98  116  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     L    68_B     L    68_B     99  119  279     31   79   98  116  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     Q    69_B     Q    69_B     99  119  279     17   75   98  116  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     A    70_B     A    70_B     99  119  279     14   68   98  116  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     G    71_B     G    71_B     99  119  279     37   79   98  116  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     G    72_B     G    72_B     99  119  279     40   79   98  116  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     T    73_B     T    73_B     99  119  279     40   79   98  116  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     I    74_B     I    74_B     99  119  279     40   79   98  116  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     V    75_B     V    75_B     99  119  279     40   79   98  116  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     E    76_B     E    76_B     99  119  279     40   79   98  116  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     P    77_B     P    77_B     99  119  279     40   79   98  116  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     T    78_B     T    78_B     99  119  279     40   79   98  116  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     S    79_B     S    79_B     99  119  279     40   79   98  116  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     G    80_B     G    80_B     99  119  279     13   79   98  116  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     N    81_B     N    81_B     99  119  279     19   69   98  116  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     T    82_B     T    82_B     99  119  279     21   66   98  116  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     G    83_B     G    83_B     99  119  279     21   79   98  116  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     V    84_B     V    84_B     99  119  279     27   79   98  116  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     G    85_B     G    85_B     99  119  279     40   79   98  116  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     L    86_B     L    86_B     99  119  279     40   79   98  116  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     A    87_B     A    87_B     99  119  279     40   79   98  116  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     M    88_B     M    88_B     99  119  279     40   79   98  116  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     V    89_B     V    89_B     99  119  279     39   77   98  116  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     A    90_B     A    90_B     99  119  279     39   79   98  116  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     A    91_B     A    91_B     99  119  279     40   79   98  116  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     A    92_B     A    92_B     99  119  279     40   79   98  116  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     K    93_B     K    93_B     99  119  279     40   79   98  116  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     G    94_B     G    94_B     99  119  279     40   79   98  116  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     Y    95_B     Y    95_B     99  119  279     40   79   98  116  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     H    96_B     H    96_B     99  119  279     40   79   98  116  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     L    97_B     L    97_B     99  119  279     40   79   98  116  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     V    98_B     V    98_B     99  119  279     40   79   98  116  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     I    99_B     I    99_B     99  119  279     40   79   98  116  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     T   100_B     T   100_B     99  119  279     40   79   98  116  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     M   101_B     M   101_B     99  119  279     40   79   98  116  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     P   102_B     P   102_B     99  119  279     40   79   98  116  135  166  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     E   103_B     E   103_B     99  119  279     39   79   98  116  135  166  194  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     T   104_B     T   104_B     99  119  279     40   79   98  116  135  163  192  218  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     M   105_B     M   105_B     99  119  279      3   42   98  116  135  166  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     S   106_B     S   106_B     99  119  279      3    3   38  108  135  166  193  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     V   107_B     V   107_B     99  119  279      3   11   77  112  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     E   108_B     E   108_B     99  119  279     26   63   97  114  134  166  197  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     R   109_B     R   109_B     99  119  279      6   79   98  116  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     R   110_B     R   110_B     99  119  279     28   79   98  116  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     K   111_B     K   111_B     99  119  279     40   79   98  116  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     L   112_B     L   112_B     99  119  279     40   79   98  116  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     M   113_B     M   113_B     99  119  279     40   79   98  116  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     Q   114_B     Q   114_B     99  119  279     40   79   98  116  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     G   115_B     G   115_B     99  119  279     39   79   98  116  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     Y   116_B     Y   116_B     99  119  279     40   79   98  116  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     G   117_B     G   117_B     99  119  279     40   79   98  116  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     A   118_B     A   118_B     99  119  279     40   79   98  116  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     E   119_B     E   119_B     99  119  279     40   79   98  116  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     L   120_B     L   120_B     99  119  279     40   79   98  116  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     I   121_B     I   121_B     99  119  279     40   79   98  116  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     L   122_B     L   122_B     99  119  279     35   79   98  116  135  166  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     T   123_B     T   123_B     99  119  279     34   79   98  116  135  163  193  217  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     P   124_B     P   124_B     99  119  279     16   71   97  111  129  150  177  204  225  238  243  250  255  261  267  270  273  275  275  275 
LCS_GDT     G   125_B     G   125_B     99  119  279      9   70   94  111  124  146  176  200  223  238  243  250  255  261  267  270  273  275  275  275 
LCS_GDT     A   126_B     A   126_B     99  119  279     11   59   90  106  121  140  161  184  209  232  240  248  255  259  264  270  273  275  275  275 
LCS_GDT     D   127_B     D   127_B     99  119  279     29   77   97  111  129  149  179  205  226  239  243  250  255  261  267  270  273  275  275  275 
LCS_GDT     G   128_B     G   128_B     99  119  279     28   76   97  111  130  158  184  215  231  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     M   129_B     M   129_B     99  119  279     40   79   98  115  135  166  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     K   130_B     K   130_B     99  119  279     40   79   98  114  135  164  197  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     G   131_B     G   131_B     99  119  279     39   79   98  115  135  163  192  218  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     A   132_B     A   132_B     99  119  279     40   79   98  116  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     I   133_B     I   133_B     99  119  279     40   79   98  116  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     A   134_B     A   134_B     99  119  279     40   79   98  116  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     K   135_B     K   135_B     99  119  279     40   79   98  116  135  166  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     A   136_B     A   136_B     99  119  279     40   79   98  116  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     E   137_B     E   137_B     99  119  279     40   79   98  116  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     E   138_B     E   138_B     99  119  279     40   79   98  116  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     L   139_B     L   139_B     99  119  279     40   79   98  116  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     V   140_B     V   140_B     99  119  279     37   79   98  116  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     K   141_B     K   141_B     99  119  279     40   79   98  116  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     E   142_B     E   142_B     99  119  279     38   79   98  116  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     K   143_B     K   143_B     99  119  279     19   79   98  116  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     G   144_B     G   144_B     99  119  279     12   79   98  116  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     Y   145_B     Y   145_B     99  119  279     11   79   98  116  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     F   146_B     F   146_B     99  119  279     40   79   98  116  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     M   147_B     M   147_B     99  119  279     40   79   98  116  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     P   148_B     P   148_B     99  119  279     13   79   98  116  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     M   149_B     M   149_B     99  119  279      4   17   47   96  135  166  198  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     Q   150_B     Q   150_B     99  119  279      6   46   89  107  133  165  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     F   151_B     F   151_B      6  119  279      3    6   39   87  135  166  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     D   152_B     D   152_B      6  119  279      4    6    6   45  105  143  193  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     N   153_B     N   153_B      6  119  279      4    6   29   51   64   99  121  148  183  201  238  250  258  261  267  270  273  275  275  275 
LCS_GDT     P   154_B     P   154_B      6  119  279      4   13   31   46   52   78  104  129  172  206  228  249  258  261  267  270  273  275  275  275 
LCS_GDT     A   155_B     A   155_B      6  116  279      4    6    6    6   20   25   40   46   71   80   97  117  148  177  205  251  258  275  275  275 
LCS_GDT     H   160_B     H   160_B      5   18  279      3    4    5   10   18   22   24   27   33   46   51   78  103  159  219  250  260  267  269  274 
LCS_GDT     E   161_B     E   161_B      5   18  279      3    4    5   15   22   30   58   97  147  186  218  235  249  260  267  270  273  275  275  275 
LCS_GDT     E   162_B     E   162_B     12   18  279      3    6   15   26   49   74  108  127  170  214  241  250  258  261  267  270  273  275  275  275 
LCS_GDT     T   163_B     T   163_B     12   18  279      5   11   15   19   33   53   78  100  143  179  209  228  249  260  267  270  273  275  275  275 
LCS_GDT     T   164_B     T   164_B     12   18  279      7   11   15   18   22   27   40   58   95  126  189  216  236  247  262  270  273  275  275  275 
LCS_GDT     G   165_B     G   165_B     12   18  279      7   11   15   25   38   61   98  144  189  215  242  250  258  261  267  270  273  275  275  275 
LCS_GDT     K   166_B     K   166_B     12   18  279      7   11   17   34   55   86  126  150  193  232  243  250  258  261  267  270  273  275  275  275 
LCS_GDT     E   167_B     E   167_B     12   18  279      7   11   27   44   52   70   95  142  146  158  187  220  247  260  267  270  273  275  275  275 
LCS_GDT     I   168_B     I   168_B     12   18  279      7   11   15   21   42   69   94  133  146  151  166  216  240  259  267  270  273  275  275  275 
LCS_GDT     L   169_B     L   169_B     12   18  279      7   13   51  103  126  136  140  143  158  196  233  250  258  261  267  270  273  275  275  275 
LCS_GDT     E   170_B     E   170_B     12   18  279      7   23   52   93  121  135  139  142  146  157  176  201  230  255  267  270  273  275  275  275 
LCS_GDT     A   171_B     A   171_B     12   18  279      5   11   15   34   65   97  119  135  144  150  154  167  181  216  256  265  273  275  275  275 
LCS_GDT     F   172_B     F   172_B     12   41  279      5   11   15   22   59  100  120  135  144  150  154  167  230  244  256  270  273  275  275  275 
LCS_GDT     G   173_B     G   173_B     12   41  279      6   11   18   36   49   93  114  135  142  149  154  165  175  193  236  265  273  275  275  275 
LCS_GDT     D   174_B     D   174_B     12   41  279      3    6   18   36   54   93  122  135  144  149  154  165  175  196  236  265  273  275  275  275 
LCS_GDT     D   175_B     D   175_B     12   41  279      3   10   18   36   68  110  132  141  146  151  164  201  230  254  267  270  273  275  275  275 
LCS_GDT     I   176_B     I   176_B     37   41  279     21   95  111  129  133  137  146  193  232  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     P   177_B     P   177_B     37   41  279     57   98  114  129  133  166  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     D   178_B     D   178_B     37   41  279     74   98  114  129  133  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     A   179_B     A   179_B     37   41  279     74   98  114  129  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     F   180_B     F   180_B     37   41  279     74   98  114  129  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     V   181_B     V   181_B     37   41  279     74   98  114  129  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     A   182_B     A   182_B     37   41  279     35   98  114  129  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     G   183_B     G   183_B     37   41  279     26   87  114  129  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     V   184_B     V   184_B     37   41  279      8   61  106  126  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     G   185_B     G   185_B     37   41  279     18   61   98  117  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     T   186_B     T   186_B     37   41  279      6   25   56  101  123  137  170  202  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     G   187_B     G   187_B     37   41  279     12   61  111  129  133  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     G   188_B     G   188_B     37   41  279     17   73   91  106  123  151  189  218  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     T   189_B     T   189_B     37   41  279      6   27   47  105  123  161  197  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     L   190_B     L   190_B     37   41  279     16   40  114  129  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     T   191_B     T   191_B     37   99  279     33   79  112  129  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     G   192_B     G   192_B     37   99  279     18   53  106  128  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     V   193_B     V   193_B     37   99  279     15   66  113  129  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     G   194_B     G   194_B     37   99  279     18   66  113  129  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     H   195_B     H   195_B     37   99  279     18   61  112  129  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     A   196_B     A   196_B     37   99  279     26   88  114  129  133  165  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     L   197_B     L   197_B     37   99  279     26   97  114  129  133  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     K   198_B     K   198_B     37   99  279     15   89  114  129  133  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     K   199_B     K   199_B     37   99  279     15   82  114  129  133  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     A   200_B     A   200_B     37   99  279     22   89  114  129  133  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     N   201_B     N   201_B     37   99  279     34   89  114  129  133  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     P   202_B     P   202_B     37   99  279     15   82  114  129  133  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     N   203_B     N   203_B     37   99  279     42   97  114  129  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     V   204_B     V   204_B     37   99  279     70   98  114  129  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     Q   205_B     Q   205_B     37   99  279     74   98  114  129  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     I   206_B     I   206_B     37   99  279     74   98  114  129  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     Y   207_B     Y   207_B     37   99  279     74   98  114  129  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     A   208_B     A   208_B     37   99  279     66   98  114  129  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     L   209_B     L   209_B     37   99  279     32   98  114  129  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     E   210_B     E   210_B     37   99  279     32   97  114  129  133  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     P   211_B     P   211_B     37   99  279     26   94  113  129  133  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     A   212_B     A   212_B     37   99  279     26   94  113  129  133  159  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     P   236_B     P   236_B      3   99  279      0    3    3    5   10   14   44   58  107  139  147  152  155  160  177  188  203  211  242  257 
LCS_GDT     K   237_B     K   237_B      3   99  279      0    3    3    5    8   17   43   55   63  135  140  145  153  161  177  196  219  228  242  257 
LCS_GDT     V   238_B     V   238_B      5   99  279      3    5    5   10   15   24   43   55   63   80  103  137  150  159  177  184  219  228  242  251 
LCS_GDT     L   239_B     L   239_B     74   99  279      4    6   13   42   89  123  138  142  153  167  188  202  250  259  267  270  273  275  275  275 
LCS_GDT     D   240_B     D   240_B     74   99  279      9   29   86  107  128  136  142  164  212  222  242  250  258  261  267  270  273  275  275  275 
LCS_GDT     T   241_B     T   241_B     74   99  279      4   60  106  129  133  162  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     D   242_B     D   242_B     74   99  279     57   97  114  129  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     V   243_B     V   243_B     74   99  279     18   89  114  129  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     Y   244_B     Y   244_B     74   99  279     70   98  114  129  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     N   245_B     N   245_B     74   99  279     70   98  114  129  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     G   246_B     G   246_B     74   99  279     74   98  114  129  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     I   247_B     I   247_B     74   99  279     47   98  114  129  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     L   248_B     L   248_B     74   99  279     47   98  114  129  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     E   249_B     E   249_B     74   99  279     22   94  114  129  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     I   250_B     I   250_B     74   99  279     66   98  114  129  133  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     K   251_B     K   251_B     74   99  279     66   98  114  129  133  158  193  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     S   252_B     S   252_B     74   99  279     59   98  114  129  133  139  184  214  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     D   253_B     D   253_B     74   99  279     74   98  114  129  133  137  170  206  232  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     D   254_B     D   254_B     74   99  279     74   98  114  129  133  158  193  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     A   255_B     A   255_B     74   99  279     74   98  114  129  133  159  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     I   256_B     I   256_B     74   99  279     74   98  114  129  133  139  170  214  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     T   257_B     T   257_B     74   99  279     74   98  114  129  133  143  184  214  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     M   258_B     M   258_B     74   99  279     74   98  114  129  133  163  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     A   259_B     A   259_B     74   99  279     74   98  114  129  133  159  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     R   260_B     R   260_B     74   99  279     74   98  114  129  133  143  193  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     E   261_B     E   261_B     74   99  279     74   98  114  129  133  159  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     V   262_B     V   262_B     74   99  279     74   98  114  129  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     G   263_B     G   263_B     74   99  279     74   98  114  129  133  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     H   264_B     H   264_B     74   99  279     74   98  114  129  133  163  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     Q   265_B     Q   265_B     74   99  279     74   98  114  129  133  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     E   266_B     E   266_B     74   99  279     74   98  114  129  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     G   267_B     G   267_B     74   99  279     74   98  114  129  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     I   268_B     I   268_B     74   99  279     74   98  114  129  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     L   269_B     L   269_B     74   99  279     74   98  114  129  133  164  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     V   270_B     V   270_B     74   99  279     74   98  114  129  133  165  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     G   271_B     G   271_B     74   99  279     74   98  114  129  133  143  195  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     I   272_B     I   272_B     74   99  279     74   98  114  129  133  143  184  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     S   273_B     S   273_B     74   99  279     74   98  114  129  133  158  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     A   274_B     A   274_B     74   99  279     74   98  114  129  133  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     G   275_B     G   275_B     74   99  279     74   98  114  129  133  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     A   276_B     A   276_B     74   99  279     74   98  114  129  133  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     N   277_B     N   277_B     74   99  279     74   98  114  129  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     I   278_B     I   278_B     74   99  279     74   98  114  129  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     K   279_B     K   279_B     74   99  279     74   98  114  129  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     G   280_B     G   280_B     74   99  279     74   98  114  129  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     A   281_B     A   281_B     74   99  279     74   98  114  129  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     I   282_B     I   282_B     74   99  279     74   98  114  129  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     E   283_B     E   283_B     74   99  279     74   98  114  129  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     V   284_B     V   284_B     74   99  279     74   98  114  129  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     A   285_B     A   285_B     74   99  279     74   98  114  129  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     K   286_B     K   286_B     74   99  279     74   98  114  129  133  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     K   287_B     K   287_B     74   99  279     74   98  114  129  133  163  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     L   288_B     L   288_B     74   99  279     74   98  114  129  133  164  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     G   289_B     G   289_B     74   99  279     74   98  114  129  133  160  198  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     K   290_B     K   290_B     74   99  279     74   98  114  129  133  144  196  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     G   291_B     G   291_B     74   99  279     16   65  111  129  133  137  153  193  232  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     K   292_B     K   292_B     74   99  279     74   98  114  129  133  160  198  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     Q   293_B     Q   293_B     74   99  279     74   98  114  129  133  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     V   294_B     V   294_B     74   99  279     74   98  114  129  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     I   295_B     I   295_B     74   99  279     74   98  114  129  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     T   296_B     T   296_B     74   99  279     74   98  114  129  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     V   297_B     V   297_B     74   99  279     74   98  114  129  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     A   298_B     A   298_B     74   99  279     74   98  114  129  135  167  199  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     P   299_B     P   299_B     74   99  279     74   98  114  129  133  156  194  219  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     D   300_B     D   300_B     74   99  279     74   98  114  129  133  137  179  218  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     G   301_B     G   301_B     74   99  279     42   98  114  129  133  137  170  204  233  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     G   302_B     G   302_B     74   99  279     36   98  114  129  133  137  153  204  230  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     D   303_B     D   303_B     74   99  279     74   98  114  129  133  137  143  186  223  239  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     R   304_B     R   304_B     74   99  279     61   98  114  129  133  137  142  162  195  230  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     Y   305_B     Y   305_B     74   99  279     52   98  114  129  133  137  142  163  205  230  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     L   306_B     L   306_B     74   99  279      6   94  114  129  133  137  142  155  180  228  243  250  258  261  267  270  273  275  275  275 
LCS_GDT     S   307_B     S   307_B     74   99  279     20   94  114  129  133  137  142  151  176  193  232  245  258  261  267  270  273  275  275  275 
LCS_GDT     T   308_B     T   308_B     74   99  279     34   95  111  129  133  137  142  149  177  196  227  245  258  261  267  270  273  275  275  275 
LCS_GDT     E   309_B     E   309_B     74   99  279     42   95  111  129  133  137  142  149  177  196  227  245  258  261  267  270  273  275  275  275 
LCS_GDT     L   310_B     L   310_B     74   99  279     57   98  113  129  133  137  142  176  205  235  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     F   311_B     F   311_B     74   99  279      6   98  114  129  133  137  142  179  210  235  244  250  258  261  267  270  273  275  275  275 
LCS_GDT     N   312_B     N   312_B     74   99  279     20   95  111  129  133  137  142  149  177  196  227  245  258  261  267  270  272  275  275  275 
LCS_GDT     Y   313_B     Y   313_B     74   91  279      3   18   24   66  121  135  142  160  178  205  227  248  258  261  267  270  273  275  275  275 
LCS_AVERAGE  LCS_A:  51.98  (  23.08   33.58   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     74     98    114    129    135    167    199    219    233    239    244    250    258    261    267    270    273    275    275    275 
GDT PERCENT_AT  26.33  34.88  40.57  45.91  48.04  59.43  70.82  77.94  82.92  85.05  86.83  88.97  91.81  92.88  95.02  96.09  97.15  97.86  97.86  97.86
GDT RMS_LOCAL    3.69   0.45   0.70   0.91   1.48   1.98   2.27   2.46   2.62   2.71   2.80   2.93   3.20   3.24   3.46   3.56   3.74   3.82   3.82   3.82
GDT RMS_ALL_AT   7.35   7.31   6.93   6.99   4.63   4.27   4.25   4.23   4.22   4.21   4.21   4.20   4.17   4.17   4.15   4.15   4.15   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   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:  D   303_B      D   303_B
#   possible swapping detected:  Y   305_B      Y   305_B
#   possible swapping detected:  F   311_B      F   311_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    T     8_B      T     8_B     3.842     0    0.175   1.144     5.470   41.786   40.952
LGA    K     9_B      K     9_B     3.453     4    0.034   0.069     3.889   53.571   28.624
LGA    I    10_B      I    10_B     2.637     0    0.619   0.817     4.871   48.929   47.857
LGA    T    11_B      T    11_B     2.474     0    0.054   1.113     2.914   64.762   62.585
LGA    N    12_B      N    12_B     2.649     0    0.129   1.128     4.052   57.143   52.024
LGA    S    13_B      S    13_B     2.161     0    0.051   0.089     2.392   68.810   67.460
LGA    I    14_B      I    14_B     1.206     0    0.053   1.320     4.289   83.810   72.917
LGA    V    15_B      V    15_B     0.670     0    0.151   0.325     1.756   85.952   82.857
LGA    N    16_B      N    16_B     1.742     0    0.056   0.150     3.229   69.048   66.071
LGA    L    17_B      L    17_B     2.147     0    0.146   0.229     2.735   64.881   64.881
LGA    I    18_B      I    18_B     3.389     0    0.585   1.101     4.091   50.357   47.738
LGA    G    19_B      G    19_B     7.533     0    0.032   0.032     7.670   11.190   11.190
LGA    N    20_B      N    20_B     4.569     0    0.368   0.889     7.757   41.429   29.345
LGA    T    21_B      T    21_B     4.046     0    0.204   1.059     5.409   38.810   36.599
LGA    P    22_B      P    22_B     2.573     0    0.028   0.353     3.135   59.167   58.503
LGA    I    23_B      I    23_B     1.918     0    0.064   0.102     3.221   70.833   65.000
LGA    V    24_B      V    24_B     1.294     0    0.124   1.046     3.020   81.429   76.939
LGA    K    25_B      K    25_B     1.520     0    0.061   0.133     3.197   75.000   65.979
LGA    L    26_B      L    26_B     1.651     0    0.363   0.424     3.682   65.595   71.369
LGA    N    27_B      N    27_B     2.077     0    0.099   0.312     3.112   65.238   65.000
LGA    R    28_B      R    28_B     2.566     0    0.281   1.603     8.092   54.048   44.242
LGA    V    29_B      V    29_B     2.580     0    0.030   0.065     2.959   59.048   62.653
LGA    V    30_B      V    30_B     2.604     0    0.023   1.368     3.868   57.143   55.238
LGA    P    31_B      P    31_B     3.544     0    0.048   0.060     3.639   46.667   48.163
LGA    E    32_B      E    32_B     4.001     4    0.036   0.065     4.339   38.690   21.323
LGA    D    33_B      D    33_B     4.099     0    0.048   0.676     4.391   38.690   42.976
LGA    A    34_B      A    34_B     3.516     0    0.038   0.054     3.718   45.000   46.000
LGA    A    35_B      A    35_B     3.057     0    0.033   0.082     3.280   55.476   55.810
LGA    D    36_B      D    36_B     2.375     0    0.045   0.126     3.355   66.905   59.345
LGA    V    37_B      V    37_B     1.240     0    0.057   0.099     1.677   79.286   81.497
LGA    Y    38_B      Y    38_B     1.254     0    0.016   0.251     3.525   83.690   66.230
LGA    V    39_B      V    39_B     1.158     0    0.040   0.112     1.525   79.286   81.497
LGA    K    40_B      K    40_B     2.138     0    0.032   0.182     4.735   66.786   53.386
LGA    L    41_B      L    41_B     2.363     0    0.026   0.058     3.022   59.167   65.000
LGA    E    42_B      E    42_B     3.359     0    0.017   1.028     6.943   48.452   39.947
LGA    F    43_B      F    43_B     3.717     0    0.029   0.188     4.166   43.452   47.100
LGA    F    44_B      F    44_B     4.271     0    0.083   0.852     8.923   34.524   21.775
LGA    N    45_B      N    45_B     4.242     0    0.089   1.105     5.288   43.690   39.048
LGA    P    46_B      P    46_B     4.973     0    0.044   0.227     7.186   34.405   26.599
LGA    G    47_B      G    47_B     2.080     0    0.196   0.196     5.590   52.738   52.738
LGA    G    48_B      G    48_B     3.994     0    0.080   0.080     5.123   42.500   42.500
LGA    S    49_B      S    49_B     2.649     0    0.110   0.540     2.869   57.143   59.762
LGA    I    50_B      I    50_B     2.741     0    0.149   1.125     4.144   59.048   57.500
LGA    K    51_B      K    51_B     3.015     2    0.152   0.792     3.343   53.571   42.910
LGA    D    52_B      D    52_B     2.704     0    0.042   0.221     4.411   60.952   52.321
LGA    R    53_B      R    53_B     1.090     0    0.027   1.226     6.819   79.286   61.905
LGA    I    54_B      I    54_B     1.959     0    0.023   0.686     2.885   68.810   64.881
LGA    A    55_B      A    55_B     2.139     0    0.024   0.046     2.464   68.810   68.000
LGA    L    56_B      L    56_B     1.483     0    0.048   0.157     1.645   79.286   80.357
LGA    A    57_B      A    57_B     1.592     0    0.093   0.102     1.602   75.000   74.571
LGA    M    58_B      M    58_B     1.741     0    0.065   0.247     2.730   72.857   67.917
LGA    I    59_B      I    59_B     1.482     0    0.030   0.656     2.459   79.286   75.060
LGA    E    60_B      E    60_B     1.546     0    0.009   0.171     1.746   72.857   76.667
LGA    E    61_B      E    61_B     1.557     0    0.040   0.952     3.447   72.857   66.878
LGA    A    62_B      A    62_B     1.587     0    0.051   0.049     1.874   72.857   72.857
LGA    E    63_B      E    63_B     1.769     0    0.055   0.309     2.556   72.857   69.312
LGA    K    64_B      K    64_B     1.920     4    0.060   0.064     1.989   72.857   40.476
LGA    A    65_B      A    65_B     1.889     0    0.096   0.108     2.296   72.857   71.238
LGA    G    66_B      G    66_B     1.869     0    0.177   0.177     2.016   70.833   70.833
LGA    K    67_B      K    67_B     1.983     4    0.136   0.148     2.319   70.833   38.677
LGA    L    68_B      L    68_B     1.513     0    0.084   1.377     3.197   72.857   71.131
LGA    Q    69_B      Q    69_B     2.111     4    0.086   0.147     2.424   66.786   36.878
LGA    A    70_B      A    70_B     2.377     0    0.011   0.024     2.679   64.762   63.238
LGA    G    71_B      G    71_B     2.254     0    0.145   0.145     2.367   64.762   64.762
LGA    G    72_B      G    72_B     2.086     0    0.054   0.054     2.131   68.810   68.810
LGA    T    73_B      T    73_B     1.354     0    0.076   0.080     1.840   79.286   78.980
LGA    I    74_B      I    74_B     0.930     0    0.026   0.420     2.383   88.214   85.000
LGA    V    75_B      V    75_B     1.076     0    0.085   0.982     3.285   83.690   79.524
LGA    E    76_B      E    76_B     0.976     0    0.021   1.008     4.664   83.690   74.339
LGA    P    77_B      P    77_B     1.461     0    0.129   0.195     1.735   81.429   78.980
LGA    T    78_B      T    78_B     1.476     0    0.070   0.190     1.928   77.143   75.306
LGA    S    79_B      S    79_B     1.809     0    0.052   0.181     2.721   72.857   68.889
LGA    G    80_B      G    80_B     2.081     0    0.111   0.111     2.081   66.786   66.786
LGA    N    81_B      N    81_B     2.089     3    0.097   0.138     2.614   70.833   42.560
LGA    T    82_B      T    82_B     1.795     0    0.054   0.143     2.566   77.143   69.660
LGA    G    83_B      G    83_B     0.752     0    0.036   0.036     0.992   90.476   90.476
LGA    V    84_B      V    84_B     1.215     0    0.026   0.191     1.901   81.429   77.755
LGA    G    85_B      G    85_B     1.589     0    0.049   0.049     1.589   79.286   79.286
LGA    L    86_B      L    86_B     1.121     0    0.023   0.221     1.851   83.690   81.488
LGA    A    87_B      A    87_B     0.711     0    0.044   0.045     0.841   90.476   90.476
LGA    M    88_B      M    88_B     1.297     0    0.068   0.752     2.546   81.429   73.155
LGA    V    89_B      V    89_B     1.964     0    0.033   0.077     2.423   70.833   68.231
LGA    A    90_B      A    90_B     1.517     0    0.061   0.064     1.934   72.857   74.571
LGA    A    91_B      A    91_B     1.193     0    0.019   0.023     1.767   77.143   79.810
LGA    A    92_B      A    92_B     2.088     0    0.081   0.078     2.297   66.786   66.381
LGA    K    93_B      K    93_B     2.234     0    0.095   0.742     2.498   64.762   69.471
LGA    G    94_B      G    94_B     2.072     0    0.135   0.135     2.072   68.810   68.810
LGA    Y    95_B      Y    95_B     1.613     0    0.062   0.211     2.279   75.000   70.198
LGA    H    96_B      H    96_B     1.341     0    0.028   1.427     7.304   81.429   50.952
LGA    L    97_B      L    97_B     0.818     0    0.021   0.159     1.146   85.952   91.786
LGA    V    98_B      V    98_B     1.384     0    0.054   0.075     1.722   81.429   77.755
LGA    I    99_B      I    99_B     1.379     0    0.052   0.125     1.950   77.143   80.476
LGA    T   100_B      T   100_B     2.146     0    0.046   1.060     4.249   66.786   63.129
LGA    M   101_B      M   101_B     2.566     0    0.051   0.857     2.822   59.048   67.202
LGA    P   102_B      P   102_B     3.288     0    0.015   0.243     3.553   51.786   51.088
LGA    E   103_B      E   103_B     3.496     0    0.031   0.140     5.523   46.667   36.032
LGA    T   104_B      T   104_B     3.877     0    0.017   0.098     4.793   43.333   38.231
LGA    M   105_B      M   105_B     3.281     0    0.035   0.989     6.343   48.333   39.048
LGA    S   106_B      S   106_B     3.574     0    0.384   0.778     7.377   50.119   39.444
LGA    V   107_B      V   107_B     2.985     0    0.665   1.367     5.789   51.905   44.218
LGA    E   108_B      E   108_B     3.643     0    0.058   0.938     5.854   50.238   40.794
LGA    R   109_B      R   109_B     1.533     4    0.071   0.721     2.136   77.381   51.169
LGA    R   110_B      R   110_B     1.347     0    0.112   0.881     3.883   79.286   68.918
LGA    K   111_B      K   111_B     1.844     0    0.035   0.880     6.212   72.857   57.937
LGA    L   112_B      L   112_B     1.331     0    0.070   0.211     2.180   81.429   78.274
LGA    M   113_B      M   113_B     0.975     0    0.013   0.535     1.425   88.214   85.952
LGA    Q   114_B      Q   114_B     1.035     0    0.018   0.276     2.297   88.214   79.735
LGA    G   115_B      G   115_B     0.922     0    0.054   0.054     1.005   88.214   88.214
LGA    Y   116_B      Y   116_B     0.340     0    0.031   0.067     1.019  100.000   93.690
LGA    G   117_B      G   117_B     0.655     0    0.068   0.068     1.367   90.595   90.595
LGA    A   118_B      A   118_B     0.963     0    0.025   0.034     1.410   85.952   86.857
LGA    E   119_B      E   119_B     1.745     0    0.033   0.713     2.962   75.000   69.365
LGA    L   120_B      L   120_B     1.989     0    0.011   0.362     2.853   66.905   66.905
LGA    I   121_B      I   121_B     2.732     1    0.078   0.081     2.963   59.048   50.952
LGA    L   122_B      L   122_B     3.050     0    0.064   0.116     3.447   51.786   51.786
LGA    T   123_B      T   123_B     3.744     0    0.035   0.080     4.137   40.238   43.469
LGA    P   124_B      P   124_B     5.070     0    0.026   0.128     5.570   28.810   27.075
LGA    G   125_B      G   125_B     5.368     0    0.056   0.056     5.662   23.810   23.810
LGA    A   126_B      A   126_B     6.324     0    0.031   0.043     6.613   19.286   18.095
LGA    D   127_B      D   127_B     4.995     0    0.119   0.351     5.937   31.548   29.583
LGA    G   128_B      G   128_B     4.573     0    0.024   0.024     4.769   35.833   35.833
LGA    M   129_B      M   129_B     3.400     0    0.093   0.619     3.970   48.333   51.012
LGA    K   130_B      K   130_B     3.583     4    0.047   0.088     3.703   45.000   24.815
LGA    G   131_B      G   131_B     3.846     0    0.079   0.079     3.846   45.000   45.000
LGA    A   132_B      A   132_B     2.829     0    0.026   0.033     3.270   59.167   58.762
LGA    I   133_B      I   133_B     2.119     0    0.076   0.145     2.612   64.762   64.821
LGA    A   134_B      A   134_B     2.790     0    0.037   0.051     3.104   57.143   55.714
LGA    K   135_B      K   135_B     2.861     0    0.024   0.667     4.889   57.143   50.370
LGA    A   136_B      A   136_B     2.120     0    0.053   0.061     2.461   64.762   66.381
LGA    E   137_B      E   137_B     1.866     2    0.040   0.081     2.124   66.786   54.921
LGA    E   138_B      E   138_B     2.404     0    0.019   1.192     6.806   64.762   44.603
LGA    L   139_B      L   139_B     2.403     0    0.025   0.151     3.147   64.762   61.012
LGA    V   140_B      V   140_B     2.149     0    0.094   0.188     2.250   64.762   65.918
LGA    K   141_B      K   141_B     2.183     4    0.056   0.081     2.401   64.762   35.979
LGA    E   142_B      E   142_B     2.370     4    0.067   0.121     2.419   64.762   35.979
LGA    K   143_B      K   143_B     1.910     4    0.031   0.065     2.085   70.833   39.577
LGA    G   144_B      G   144_B     1.758     0    0.065   0.065     1.838   72.857   72.857
LGA    Y   145_B      Y   145_B     1.445     0    0.057   0.159     1.685   79.286   84.484
LGA    F   146_B      F   146_B     1.109     0    0.066   0.104     1.412   81.429   81.429
LGA    M   147_B      M   147_B     0.998     0    0.096   0.183     1.519   83.810   82.619
LGA    P   148_B      P   148_B     1.392     0    0.276   0.315     3.168   69.405   74.558
LGA    M   149_B      M   149_B     3.178     3    0.254   0.295     4.171   63.095   36.190
LGA    Q   150_B      Q   150_B     3.272     4    0.668   0.616     5.287   48.571   24.497
LGA    F   151_B      F   151_B     2.803     0    0.051   1.282    11.678   66.905   29.177
LGA    D   152_B      D   152_B     3.951     3    0.157   0.166     5.810   38.333   21.845
LGA    N   153_B      N   153_B     7.101     3    0.132   0.171     8.173   16.667    8.929
LGA    P   154_B      P   154_B     7.789     0    0.240   0.237     9.995    4.643    3.333
LGA    A   155_B      A   155_B    12.405     0    0.535   0.543    14.325    0.000    0.000
LGA    H   160_B      H   160_B    12.283     5    0.613   0.599    13.095    0.000    0.000
LGA    E   161_B      E   161_B     8.595     0    0.144   0.795     9.727    4.405    5.450
LGA    E   162_B      E   162_B     7.211     0    0.157   0.817     8.840   10.119    6.878
LGA    T   163_B      T   163_B     8.832     0    0.217   1.172    10.617    2.976    2.789
LGA    T   164_B      T   164_B     9.941     0    0.057   0.082    11.541    1.310    0.748
LGA    G   165_B      G   165_B     7.114     0    0.023   0.023     8.003    9.524    9.524
LGA    K   166_B      K   166_B     6.984     4    0.057   0.070     7.828   10.238    6.032
LGA    E   167_B      E   167_B     9.471     0    0.049   0.858    10.324    1.667    1.005
LGA    I   168_B      I   168_B     9.544     0    0.028   0.091    10.156    0.952    0.833
LGA    L   169_B      L   169_B     7.878     0    0.032   1.164     8.893    4.405   11.071
LGA    E   170_B      E   170_B     9.725     0    0.015   0.810    11.074    0.833    0.476
LGA    A   171_B      A   171_B    11.333     0    0.095   0.098    12.096    0.000    0.000
LGA    F   172_B      F   172_B    10.404     0    0.038   0.251    10.543    0.000    0.390
LGA    G   173_B      G   173_B    11.148     0    0.667   0.667    11.148    0.119    0.119
LGA    D   174_B      D   174_B    11.370     0    0.134   0.326    14.826    0.000    0.000
LGA    D   175_B      D   175_B     9.504     0    0.254   0.846    10.581    2.024    1.012
LGA    I   176_B      I   176_B     5.401     0    0.161   1.146     6.770   24.286   22.976
LGA    P   177_B      P   177_B     3.493     0    0.077   0.415     4.267   46.786   46.395
LGA    D   178_B      D   178_B     2.953     0    0.031   0.222     4.793   59.167   50.595
LGA    A   179_B      A   179_B     1.939     0    0.027   0.039     2.370   70.833   71.238
LGA    F   180_B      F   180_B     1.545     0    0.008   0.102     2.180   77.143   72.944
LGA    V   181_B      V   181_B     0.919     0    0.026   0.061     1.131   83.690   86.599
LGA    A   182_B      A   182_B     1.401     0    0.020   0.039     1.636   77.143   76.286
LGA    G   183_B      G   183_B     1.931     0    0.052   0.052     1.933   72.857   72.857
LGA    V   184_B      V   184_B     2.036     0    0.496   0.509     3.972   61.429   67.551
LGA    G   185_B      G   185_B     2.381     0    0.243   0.243     4.275   56.190   56.190
LGA    T   186_B      T   186_B     4.963     0    0.101   0.161     6.716   30.357   24.762
LGA    G   187_B      G   187_B     3.197     0    0.073   0.073     3.597   48.333   48.333
LGA    G   188_B      G   188_B     4.508     0    0.063   0.063     4.508   37.262   37.262
LGA    T   189_B      T   189_B     4.122     0    0.028   0.129     5.251   41.905   37.483
LGA    L   190_B      L   190_B     2.518     0    0.018   1.337     2.897   60.952   66.071
LGA    T   191_B      T   191_B     2.519     0    0.037   0.115     3.087   59.048   57.211
LGA    G   192_B      G   192_B     3.266     0    0.024   0.024     3.266   50.000   50.000
LGA    V   193_B      V   193_B     3.049     0    0.047   0.121     3.316   53.571   52.041
LGA    G   194_B      G   194_B     2.355     0    0.087   0.087     2.491   64.762   64.762
LGA    H   195_B      H   195_B     2.697     0    0.025   0.369     3.096   57.262   61.095
LGA    A   196_B      A   196_B     3.541     0    0.015   0.042     3.918   46.667   46.000
LGA    L   197_B      L   197_B     3.144     0    0.026   0.075     3.489   51.786   52.679
LGA    K   198_B      K   198_B     2.695     0    0.038   0.644     3.742   57.143   57.354
LGA    K   199_B      K   199_B     3.308     2    0.052   0.210     3.431   50.000   38.889
LGA    A   200_B      A   200_B     3.259     0    0.042   0.055     3.501   50.000   48.667
LGA    N   201_B      N   201_B     3.078     0    0.030   0.392     4.599   53.571   48.631
LGA    P   202_B      P   202_B     2.597     0    0.126   0.425     4.244   57.143   53.265
LGA    N   203_B      N   203_B     2.499     0    0.055   1.115     3.900   62.857   58.274
LGA    V   204_B      V   204_B     2.412     0    0.033   1.005     4.069   68.810   58.095
LGA    Q   205_B      Q   205_B     1.694     0    0.021   0.395     3.365   75.000   70.370
LGA    I   206_B      I   206_B     1.476     0    0.030   0.062     2.094   79.286   75.060
LGA    Y   207_B      Y   207_B     1.006     0    0.048   0.097     1.615   81.429   86.032
LGA    A   208_B      A   208_B     1.444     0    0.071   0.068     1.636   81.429   79.714
LGA    L   209_B      L   209_B     1.800     0    0.055   0.213     2.402   70.833   70.833
LGA    E   210_B      E   210_B     2.637     0    0.070   0.285     2.777   59.048   60.529
LGA    P   211_B      P   211_B     3.076     0    0.067   0.106     3.388   51.786   51.020
LGA    A   212_B      A   212_B     3.456     0    0.567   0.519     3.803   46.667   47.333
LGA    P   236_B      P   236_B    14.979     0    0.499   0.748    15.958    0.000    0.000
LGA    K   237_B      K   237_B    15.288     0    0.502   1.010    18.354    0.000    0.000
LGA    V   238_B      V   238_B    14.784     0    0.595   0.934    17.179    0.000    0.000
LGA    L   239_B      L   239_B     8.741     0    0.147   1.439    10.929    2.619    7.738
LGA    D   240_B      D   240_B     6.929     0    0.023   1.071     7.883   19.524   14.940
LGA    T   241_B      T   241_B     3.523     0    0.128   0.177     5.419   53.095   43.878
LGA    D   242_B      D   242_B     2.565     0    0.221   0.184     4.216   60.952   54.762
LGA    V   243_B      V   243_B     1.757     0    0.062   0.122     2.046   75.119   77.891
LGA    Y   244_B      Y   244_B     1.284     0    0.076   0.508     2.762   81.429   71.786
LGA    N   245_B      N   245_B     1.039     0    0.055   0.308     1.603   81.429   80.357
LGA    G   246_B      G   246_B     1.150     0    0.092   0.092     1.150   88.214   88.214
LGA    I   247_B      I   247_B     0.919     0    0.044   0.369     2.321   90.476   83.869
LGA    L   248_B      L   248_B     1.034     0    0.034   0.106     1.694   81.548   81.488
LGA    E   249_B      E   249_B     1.867     0    0.151   0.312     3.048   70.952   70.423
LGA    I   250_B      I   250_B     2.968     0    0.050   0.121     3.382   53.571   54.464
LGA    K   251_B      K   251_B     4.105     2    0.049   0.102     4.884   38.690   28.307
LGA    S   252_B      S   252_B     4.741     0    0.015   0.578     5.785   31.429   28.889
LGA    D   253_B      D   253_B     5.194     0    0.078   0.964     8.537   28.810   19.881
LGA    D   254_B      D   254_B     4.182     0    0.037   0.704     6.024   38.810   34.762
LGA    A   255_B      A   255_B     3.601     0    0.063   0.088     3.898   43.333   43.333
LGA    I   256_B      I   256_B     4.729     0    0.021   0.103     5.767   32.857   28.333
LGA    T   257_B      T   257_B     4.698     0    0.043   0.120     5.204   34.286   32.313
LGA    M   258_B      M   258_B     3.472     0    0.032   0.866     3.944   48.333   51.012
LGA    A   259_B      A   259_B     3.557     0    0.051   0.056     3.794   43.333   43.333
LGA    R   260_B      R   260_B     4.193     0    0.014   1.260     9.824   40.238   24.199
LGA    E   261_B      E   261_B     3.613     0    0.024   0.899     3.845   46.667   49.365
LGA    V   262_B      V   262_B     2.277     0    0.007   0.063     2.761   62.857   64.830
LGA    G   263_B      G   263_B     2.968     0    0.108   0.108     2.994   57.143   57.143
LGA    H   264_B      H   264_B     3.347     0    0.128   0.856     5.235   53.571   42.762
LGA    Q   265_B      Q   265_B     2.695     0    0.038   1.369     5.279   60.952   53.915
LGA    E   266_B      E   266_B     1.554     0    0.075   0.316     1.940   77.143   77.619
LGA    G   267_B      G   267_B     1.810     0    0.064   0.064     1.853   72.857   72.857
LGA    I   268_B      I   268_B     1.829     0    0.025   0.152     2.607   66.905   73.095
LGA    L   269_B      L   269_B     3.261     0    0.072   1.343     6.017   51.786   46.012
LGA    V   270_B      V   270_B     3.105     0    0.034   0.125     3.590   48.333   53.197
LGA    G   271_B      G   271_B     3.851     0    0.050   0.050     3.851   45.000   45.000
LGA    I   272_B      I   272_B     4.146     0    0.047   0.187     5.262   40.238   35.893
LGA    S   273_B      S   273_B     3.478     0    0.088   0.518     3.886   48.333   46.667
LGA    A   274_B      A   274_B     2.751     0    0.027   0.051     2.991   59.048   58.667
LGA    G   275_B      G   275_B     2.903     0    0.034   0.034     2.903   57.143   57.143
LGA    A   276_B      A   276_B     2.939     0    0.029   0.051     3.257   57.262   55.810
LGA    N   277_B      N   277_B     2.169     0    0.015   0.066     2.612   68.810   65.833
LGA    I   278_B      I   278_B     1.800     0    0.049   0.096     1.995   72.857   72.857
LGA    K   279_B      K   279_B     2.338     0    0.041   0.119     3.344   64.762   58.148
LGA    G   280_B      G   280_B     1.704     0    0.050   0.050     1.972   77.143   77.143
LGA    A   281_B      A   281_B     0.799     0    0.022   0.039     1.202   83.690   85.048
LGA    I   282_B      I   282_B     1.861     0    0.015   0.092     2.417   70.952   68.869
LGA    E   283_B      E   283_B     2.276     0    0.084   0.858     2.536   62.857   64.021
LGA    V   284_B      V   284_B     1.703     0    0.023   0.055     2.203   70.833   76.667
LGA    A   285_B      A   285_B     2.101     0    0.022   0.046     2.876   62.976   63.333
LGA    K   286_B      K   286_B     3.052     0    0.023   0.673     5.242   51.786   48.201
LGA    K   287_B      K   287_B     3.242     2    0.092   0.149     3.612   48.333   39.735
LGA    L   288_B      L   288_B     3.201     0    0.021   0.151     3.873   46.667   51.905
LGA    G   289_B      G   289_B     3.692     0    0.055   0.055     3.866   43.333   43.333
LGA    K   290_B      K   290_B     4.318     2    0.661   0.986     4.749   35.714   28.413
LGA    G   291_B      G   291_B     5.279     0    0.023   0.023     5.279   28.810   28.810
LGA    K   292_B      K   292_B     3.778     0    0.067   0.642     6.874   43.452   35.714
LGA    Q   293_B      Q   293_B     3.009     0    0.060   1.203     5.996   53.571   41.058
LGA    V   294_B      V   294_B     1.712     0    0.048   0.079     2.028   72.976   76.599
LGA    I   295_B      I   295_B     1.605     0    0.048   1.120     3.841   77.143   72.440
LGA    T   296_B      T   296_B     1.212     0    0.019   0.101     1.614   77.143   80.272
LGA    V   297_B      V   297_B     2.161     0    0.047   1.091     4.519   66.786   63.537
LGA    A   298_B      A   298_B     2.611     0    0.057   0.075     2.941   59.048   60.190
LGA    P   299_B      P   299_B     3.846     0    0.158   0.291     4.272   43.452   44.422
LGA    D   300_B      D   300_B     4.350     0    0.091   0.206     4.560   40.238   39.583
LGA    G   301_B      G   301_B     4.686     0    0.057   0.057     5.071   30.119   30.119
LGA    G   302_B      G   302_B     4.927     0    0.027   0.027     5.505   27.619   27.619
LGA    D   303_B      D   303_B     5.478     0    0.134   0.780     6.456   22.738   27.500
LGA    R   304_B      R   304_B     6.185     6    0.043   0.054     6.548   17.262    8.225
LGA    Y   305_B      Y   305_B     6.249     0    0.053   0.193     6.522   16.190   21.667
LGA    L   306_B      L   306_B     6.640     0    0.035   0.110     7.080   11.667   13.452
LGA    S   307_B      S   307_B     7.838     0    0.163   0.689     8.783    6.190    5.714
LGA    T   308_B      T   308_B     7.840     0    0.040   0.151     7.840    7.857    7.959
LGA    E   309_B      E   309_B     7.877     3    0.116   0.680     9.144    8.571    4.497
LGA    L   310_B      L   310_B     6.237     0    0.052   0.145     6.967   17.262   21.786
LGA    F   311_B      F   311_B     6.082     0    0.368   0.466     6.416   17.143   22.165
LGA    N   312_B      N   312_B     8.035     0    0.498   1.322    12.520    8.690    4.345
LGA    Y   313_B      Y   313_B     7.462     0    0.249   1.262     7.900   10.119   11.905

# 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):     4.135          4.104                  4.365           54.387   50.912

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  306  281    4.0    219    2.46    63.701    58.224     8.543

LGA_LOCAL      RMSD:   2.463  Number of atoms:  219  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   4.233  Number of assigned atoms:  279 
Std_ASGN_ATOMS RMSD:   4.135  Standard rmsd on all 279 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.487435 * X  +  -0.692390 * Y  +  -0.531980 * Z  +   6.801558
  Y_new =   0.840685 * X  +   0.536760 * Y  +   0.071679 * Z  +  -1.295813
  Z_new =   0.235915 * X  +  -0.482166 * Y  +   0.843718 * Z  +   0.394141 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.045357 -0.238160 -0.519184   [DEG:   59.8945  -13.6456  -29.7470 ]
ZXZ: -1.704730  0.566625  2.686556   [DEG:  -97.6739   32.4652  153.9283 ]
 
# END of job
