
#######################################################
#                                                     #
#                        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       4.09     4.09
  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     4.67
  LONGEST_CONTINUOUS_SEGMENT:   119      35_B - 153_B       1.98     4.82
  LONGEST_CONTINUOUS_SEGMENT:   119      36_B - 154_B       1.96     5.01
  LCS_AVERAGE:     34.14

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    99      52_B - 150_B       0.98     5.83
  LCS_AVERAGE:     23.15

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      5   69   97  114  133  156  185  217  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     K     9_B     K     9_B     14   17  279      9   51   97  114  134  159  196  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     I    10_B     I    10_B     14   17  279     34   74   97  115  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     T    11_B     T    11_B     14   20  279      5   71   97  115  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     N    12_B     N    12_B     14   20  279      5   49   95  115  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     S    13_B     S    13_B     14   31  279      5   49   97  115  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     I    14_B     I    14_B     14   33  279      4   62   97  115  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     V    15_B     V    15_B     14   33  279     33   73   97  115  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     N    16_B     N    16_B     14   33  279     39   79   97  115  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     L    17_B     L    17_B     14   33  279      9   79   97  115  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     I    18_B     I    18_B     28   51  279      6   47  104  119  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     G    19_B     G    19_B     28   51  279      3   62  113  128  133  145  197  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     N    20_B     N    20_B     28   51  279      3    9   99  125  133  164  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     T    21_B     T    21_B     28   51  279     63   97  114  128  133  163  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     P    22_B     P    22_B     28   51  279     64   97  114  128  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     I    23_B     I    23_B     28   51  279     63   97  114  128  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     V    24_B     V    24_B     28   51  279     69   97  114  128  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     K    25_B     K    25_B     28   51  279     69   97  114  128  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     L    26_B     L    26_B     28   51  279     27   97  114  128  139  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     N    27_B     N    27_B     28   51  279     18   97  114  128  139  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     R    28_B     R    28_B     28   51  279     46   97  114  128  139  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     V    29_B     V    29_B     28   51  279     69   97  114  128  139  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     V    30_B     V    30_B     28   51  279     69   97  114  128  137  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     P    31_B     P    31_B     28   51  279     69   97  114  128  133  165  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     E    32_B     E    32_B     28   51  279     67   97  114  128  133  162  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     D    33_B     D    33_B     28   51  279     41   97  114  128  133  161  201  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     A    34_B     A    34_B     28  119  279     69   97  114  128  133  165  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     A    35_B     A    35_B     28  119  279     69   97  114  128  133  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     D    36_B     D    36_B     28  119  279     69   97  114  128  139  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     V    37_B     V    37_B     28  119  279     69   97  114  128  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     Y    38_B     Y    38_B     28  119  279     69   97  114  128  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     V    39_B     V    39_B     28  119  279     69   97  114  128  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     K    40_B     K    40_B     28  119  279     69   97  114  128  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     L    41_B     L    41_B     28  119  279     69   97  114  128  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     E    42_B     E    42_B     28  119  279     69   97  114  128  137  164  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     F    43_B     F    43_B     28  119  279     69   97  114  128  134  158  201  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     F    44_B     F    44_B     28  119  279     66   97  114  128  133  152  189  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     N    45_B     N    45_B     28  119  279     20   97  114  128  133  147  174  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     P    46_B     P    46_B     28  119  279      4    5   70  124  133  138  158  199  231  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     G    47_B     G    47_B     32  119  279      4   47   90  111  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     G    48_B     G    48_B     32  119  279      4    6   27   47  108  140  189  219  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     S    49_B     S    49_B     32  119  279      4   36   58   95  135  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     I    50_B     I    50_B     55  119  279      4   36   66   95  135  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     K    51_B     K    51_B     98  119  279     11   23   66  101  132  165  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     D    52_B     D    52_B     99  119  279     15   72   94  114  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     R    53_B     R    53_B     99  119  279     21   70   97  115  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     I    54_B     I    54_B     99  119  279     15   49   92  115  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     A    55_B     A    55_B     99  119  279     15   51   94  114  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     L    56_B     L    56_B     99  119  279     23   79   97  115  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     A    57_B     A    57_B     99  119  279     21   65   97  115  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     M    58_B     M    58_B     99  119  279     15   53   96  115  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     I    59_B     I    59_B     99  119  279     22   79   97  115  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     E    60_B     E    60_B     99  119  279     21   79   97  115  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     E    61_B     E    61_B     99  119  279     21   73   97  115  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     A    62_B     A    62_B     99  119  279     21   79   97  115  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     E    63_B     E    63_B     99  119  279     21   79   97  115  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     K    64_B     K    64_B     99  119  279     21   79   97  115  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     A    65_B     A    65_B     99  119  279     21   79   97  115  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     G    66_B     G    66_B     99  119  279     37   79   97  115  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     K    67_B     K    67_B     99  119  279     35   79   97  115  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     L    68_B     L    68_B     99  119  279     35   79   97  115  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     Q    69_B     Q    69_B     99  119  279     35   79   97  115  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     A    70_B     A    70_B     99  119  279     15   75   97  115  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     G    71_B     G    71_B     99  119  279      4   67   97  115  140  168  202  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     G    72_B     G    72_B     99  119  279     45   79   97  115  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     T    73_B     T    73_B     99  119  279     45   79   97  115  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     I    74_B     I    74_B     99  119  279     45   79   97  115  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     V    75_B     V    75_B     99  119  279     45   79   97  115  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     E    76_B     E    76_B     99  119  279     45   79   97  115  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     P    77_B     P    77_B     99  119  279     45   79   97  115  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     T    78_B     T    78_B     99  119  279     40   79   97  115  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     S    79_B     S    79_B     99  119  279     45   79   97  115  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     G    80_B     G    80_B     99  119  279     12   79   97  115  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     N    81_B     N    81_B     99  119  279     18   70   97  116  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     T    82_B     T    82_B     99  119  279     16   65   97  115  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     G    83_B     G    83_B     99  119  279     18   79   97  115  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     V    84_B     V    84_B     99  119  279     32   79   97  115  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     G    85_B     G    85_B     99  119  279     45   79   97  115  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     L    86_B     L    86_B     99  119  279     45   79   97  115  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     A    87_B     A    87_B     99  119  279     45   79   97  115  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     M    88_B     M    88_B     99  119  279     45   79   97  115  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     V    89_B     V    89_B     99  119  279     45   78   97  115  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     A    90_B     A    90_B     99  119  279     45   79   97  115  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     A    91_B     A    91_B     99  119  279     45   79   97  115  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     A    92_B     A    92_B     99  119  279     45   79   97  115  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     K    93_B     K    93_B     99  119  279     45   79   97  115  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     G    94_B     G    94_B     99  119  279     45   79   97  115  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     Y    95_B     Y    95_B     99  119  279     45   79   97  115  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     H    96_B     H    96_B     99  119  279     45   79   97  115  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     L    97_B     L    97_B     99  119  279     45   79   97  115  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     V    98_B     V    98_B     99  119  279     45   79   97  115  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     I    99_B     I    99_B     99  119  279     45   79   97  115  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     T   100_B     T   100_B     99  119  279     45   79   97  115  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     M   101_B     M   101_B     99  119  279     45   79   97  115  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     P   102_B     P   102_B     99  119  279     45   79   97  115  140  168  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     E   103_B     E   103_B     99  119  279     43   79   97  115  140  168  199  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     T   104_B     T   104_B     99  119  279     45   79   97  115  140  165  195  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     M   105_B     M   105_B     99  119  279      4   20   97  115  140  168  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     S   106_B     S   106_B     99  119  279      3    3   36  109  140  165  197  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     V   107_B     V   107_B     99  119  279      3   11   87  114  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     E   108_B     E   108_B     99  119  279     26   67   97  114  137  166  198  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     R   109_B     R   109_B     99  119  279     18   79   97  115  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     R   110_B     R   110_B     99  119  279     32   79   97  115  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     K   111_B     K   111_B     99  119  279     45   79   97  115  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     L   112_B     L   112_B     99  119  279     45   79   97  115  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     M   113_B     M   113_B     99  119  279     45   79   97  115  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     Q   114_B     Q   114_B     99  119  279     45   79   97  115  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     G   115_B     G   115_B     99  119  279     45   79   97  115  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     Y   116_B     Y   116_B     99  119  279     45   79   97  115  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     G   117_B     G   117_B     99  119  279     45   79   97  115  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     A   118_B     A   118_B     99  119  279     45   79   97  115  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     E   119_B     E   119_B     99  119  279     45   79   97  115  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     L   120_B     L   120_B     99  119  279     45   79   97  115  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     I   121_B     I   121_B     99  119  279     45   79   97  115  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     L   122_B     L   122_B     99  119  279     36   79   97  115  140  168  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     T   123_B     T   123_B     99  119  279     35   79   97  115  140  165  197  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     P   124_B     P   124_B     99  119  279     15   70   94  113  132  153  180  207  228  241  244  250  255  261  267  270  273  275  275  275 
LCS_GDT     G   125_B     G   125_B     99  119  279     26   67   93  112  132  151  179  204  226  241  244  250  256  261  267  270  273  275  275  275 
LCS_GDT     A   126_B     A   126_B     99  119  279     26   58   91  109  124  144  164  188  213  233  243  250  255  259  265  270  273  275  275  275 
LCS_GDT     D   127_B     D   127_B     99  119  279     35   76   95  113  132  154  182  207  228  241  244  252  256  261  267  270  273  275  275  275 
LCS_GDT     G   128_B     G   128_B     99  119  279     26   72   96  113  133  163  186  216  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     M   129_B     M   129_B     99  119  279     42   79   97  114  140  168  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     K   130_B     K   130_B     99  119  279     42   79   97  114  140  168  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     G   131_B     G   131_B     99  119  279     42   79   97  114  140  165  195  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     A   132_B     A   132_B     99  119  279     45   79   97  115  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     I   133_B     I   133_B     99  119  279     45   79   97  115  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     A   134_B     A   134_B     99  119  279     45   79   97  115  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     K   135_B     K   135_B     99  119  279     45   79   97  115  140  168  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     A   136_B     A   136_B     99  119  279     45   79   97  115  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     E   137_B     E   137_B     99  119  279     45   79   97  115  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     E   138_B     E   138_B     99  119  279     45   79   97  115  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     L   139_B     L   139_B     99  119  279     45   79   97  115  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     V   140_B     V   140_B     99  119  279     34   79   97  115  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     K   141_B     K   141_B     99  119  279     40   79   97  115  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     E   142_B     E   142_B     99  119  279     40   79   97  115  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     K   143_B     K   143_B     99  119  279     21   79   97  115  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     G   144_B     G   144_B     99  119  279     19   79   97  115  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     Y   145_B     Y   145_B     99  119  279     11   79   97  115  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     F   146_B     F   146_B     99  119  279     42   79   97  115  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     M   147_B     M   147_B     99  119  279     43   79   97  115  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     P   148_B     P   148_B     99  119  279     15   79   97  115  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     M   149_B     M   149_B     99  119  279      4   20   58   96  137  165  201  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     Q   150_B     Q   150_B     99  119  279      5   36   89  108  139  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     F   151_B     F   151_B      6  119  279      3    8   37   78  135  165  201  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     D   152_B     D   152_B      6  119  279      4   11   34   81  109  151  192  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     N   153_B     N   153_B      6  119  279      4    6   29   52   59   99  122  145  182  211  241  252  257  261  267  270  273  275  275  275 
LCS_GDT     P   154_B     P   154_B      6  119  279      4   13   31   48   56   87  117  131  199  211  240  251  257  261  267  270  273  275  275  275 
LCS_GDT     A   155_B     A   155_B      6  115  279      4    6    6    6    7   11   44   53   68   84  100  122  152  182  211  241  263  275  275  275 
LCS_GDT     H   160_B     H   160_B      5   18  279      3    4    5   10   19   22   25   31   33   45   52   69  116  176  230  256  260  265  269  273 
LCS_GDT     E   161_B     E   161_B      5   18  279      3    4    5   15   21   32   60  100  154  195  221  238  251  261  267  270  273  275  275  275 
LCS_GDT     E   162_B     E   162_B     12   18  279      3    8   14   28   49   75  115  139  185  224  244  252  257  261  267  270  273  275  275  275 
LCS_GDT     T   163_B     T   163_B     13   18  279      8   11   14   18   34   54   82  108  152  189  213  236  251  261  267  270  273  275  275  275 
LCS_GDT     T   164_B     T   164_B     13   18  279      8   11   14   17   21   30   41   68  111  157  204  223  241  251  263  270  272  275  275  275 
LCS_GDT     G   165_B     G   165_B     13   18  279      8   11   14   23   39   64  102  156  193  223  244  252  257  261  267  270  273  275  275  275 
LCS_GDT     K   166_B     K   166_B     13   18  279      8   11   17   41   56   90  133  158  196  236  244  252  257  261  267  270  273  275  275  275 
LCS_GDT     E   167_B     E   167_B     13   18  279      8   11   26   45   52   74   96  137  147  160  202  231  251  261  267  270  273  275  275  275 
LCS_GDT     I   168_B     I   168_B     13   18  279      8   11   14   22   44   65  116  134  146  152  173  223  245  260  267  270  273  275  275  275 
LCS_GDT     L   169_B     L   169_B     13   44  279      8   15   66  107  128  138  141  144  160  199  238  252  257  261  267  270  273  275  275  275 
LCS_GDT     E   170_B     E   170_B     13   44  279      8   20   59   96  121  136  140  143  147  160  176  213  243  260  267  270  273  275  275  275 
LCS_GDT     A   171_B     A   171_B     13   44  279      5   11   14   32   66  100  121  139  145  150  155  166  181  217  237  267  273  275  275  275 
LCS_GDT     F   172_B     F   172_B     13   44  279      5   11   14   22   57  100  122  139  145  150  155  170  198  248  260  270  273  275  275  275 
LCS_GDT     G   173_B     G   173_B     13   44  279      6   11   18   43   52   88  130  137  143  150  153  162  192  211  230  267  273  275  275  275 
LCS_GDT     D   174_B     D   174_B     13   44  279      3    6   18   43   52   93  130  137  144  150  155  164  179  211  233  267  273  275  275  275 
LCS_GDT     D   175_B     D   175_B     13   44  279      3   11   18   43   63  112  130  142  146  152  169  211  243  257  267  270  273  275  275  275 
LCS_GDT     I   176_B     I   176_B     37   44  279     20   94  109  128  133  138  150  206  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     P   177_B     P   177_B     37   44  279     69   97  114  128  133  166  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     D   178_B     D   178_B     37   44  279     69   97  114  128  133  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     A   179_B     A   179_B     37   44  279     69   97  114  128  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     F   180_B     F   180_B     37   44  279     69   97  114  128  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     V   181_B     V   181_B     37   44  279     69   97  114  128  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     A   182_B     A   182_B     37   44  279     28   97  114  128  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     G   183_B     G   183_B     37   44  279     23   81  114  128  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     V   184_B     V   184_B     37   44  279     12   47  109  127  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     G   185_B     G   185_B     37   44  279     18   72   97  115  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     T   186_B     T   186_B     37   44  279      4   25   59  101  125  138  174  208  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     G   187_B     G   187_B     37   44  279     12   67  111  128  134  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     G   188_B     G   188_B     37   44  279     21   70   92  113  129  148  195  220  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     T   189_B     T   189_B     37   44  279      5   24   49  100  132  168  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     L   190_B     L   190_B     37  100  279     17   47  114  128  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     T   191_B     T   191_B     37  100  279     19   82  114  128  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     G   192_B     G   192_B     37  100  279     18   54  110  128  139  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     V   193_B     V   193_B     37  100  279     14   82  114  128  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     G   194_B     G   194_B     37  100  279     17   78  114  128  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     H   195_B     H   195_B     37  100  279     14   82  114  128  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     A   196_B     A   196_B     37  100  279     23   90  114  128  133  168  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     L   197_B     L   197_B     37  100  279     42   97  114  128  136  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     K   198_B     K   198_B     37  100  279     21   92  114  128  136  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     K   199_B     K   199_B     37  100  279     15   86  114  128  133  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     A   200_B     A   200_B     37  100  279     21   90  114  128  133  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     N   201_B     N   201_B     37  100  279      9   86  114  128  133  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     P   202_B     P   202_B     37  100  279     14   86  114  128  139  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     N   203_B     N   203_B     37  100  279     23   93  114  128  139  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     V   204_B     V   204_B     37  100  279     64   97  114  128  139  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     Q   205_B     Q   205_B     37  100  279     69   97  114  128  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     I   206_B     I   206_B     37  100  279     69   97  114  128  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     Y   207_B     Y   207_B     37  100  279     69   97  114  128  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     A   208_B     A   208_B     37  100  279     41   97  114  128  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     L   209_B     L   209_B     37  100  279     26   97  114  128  139  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     E   210_B     E   210_B     37  100  279     23   97  114  128  136  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     P   211_B     P   211_B     37  100  279     23   86  114  128  133  165  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     A   212_B     A   212_B     37  100  279     23   86  114  128  133  162  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     P   236_B     P   236_B      3  100  279      0    3    3    6   11   20   42   61  111  141  149  151  155  160  178  188  221  243  249  260 
LCS_GDT     K   237_B     K   237_B      3  100  279      0    3    3    5    8   21   38   54   62   74  143  147  152  159  172  213  228  243  254  260 
LCS_GDT     V   238_B     V   238_B      5  100  279      4    5    5   10   15   23   38   54   63  105  114  146  152  155  173  182  192  198  249  256 
LCS_GDT     L   239_B     L   239_B     68  100  279      4    6   31   56   76  118  139  142  153  173  187  205  240  259  267  270  273  275  275  275 
LCS_GDT     D   240_B     D   240_B     74  100  279      9   42   89  110  129  138  147  170  215  235  244  252  257  261  267  270  273  275  275  275 
LCS_GDT     T   241_B     T   241_B     74  100  279     13   42  107  128  133  168  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     D   242_B     D   242_B     74  100  279     61   95  114  128  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     V   243_B     V   243_B     74  100  279     19   91  114  128  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     Y   244_B     Y   244_B     74  100  279     67   97  114  128  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     N   245_B     N   245_B     74  100  279     65   97  114  128  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     G   246_B     G   246_B     74  100  279     69   97  114  128  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     I   247_B     I   247_B     74  100  279     21   97  114  128  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     L   248_B     L   248_B     74  100  279     22   97  114  128  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     E   249_B     E   249_B     74  100  279     21   88  114  128  139  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     I   250_B     I   250_B     74  100  279     67   97  114  128  133  165  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     K   251_B     K   251_B     74  100  279     67   97  114  128  133  144  190  220  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     S   252_B     S   252_B     74  100  279     52   97  114  128  133  141  174  210  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     D   253_B     D   253_B     74  100  279     69   97  114  128  133  138  173  199  231  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     D   254_B     D   254_B     74  100  279     69   97  114  128  133  144  190  220  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     A   255_B     A   255_B     74  100  279     69   97  114  128  133  161  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     I   256_B     I   256_B     74  100  279     69   97  114  128  133  141  174  213  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     T   257_B     T   257_B     74  100  279     69   97  114  128  133  141  176  213  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     M   258_B     M   258_B     74  100  279     69   97  114  128  133  162  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     A   259_B     A   259_B     74  100  279     69   97  114  128  133  161  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     R   260_B     R   260_B     74  100  279     69   97  114  128  133  144  190  220  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     E   261_B     E   261_B     74  100  279     69   97  114  128  133  162  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     V   262_B     V   262_B     74  100  279     69   97  114  128  139  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     G   263_B     G   263_B     74  100  279     69   97  114  128  133  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     H   264_B     H   264_B     74  100  279     69   97  114  128  133  165  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     Q   265_B     Q   265_B     74  100  279     69   97  114  128  133  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     E   266_B     E   266_B     74  100  279     69   97  114  128  139  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     G   267_B     G   267_B     74  100  279     69   97  114  128  139  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     I   268_B     I   268_B     74  100  279     69   97  114  128  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     L   269_B     L   269_B     74  100  279     48   97  114  128  133  165  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     V   270_B     V   270_B     74  100  279     69   97  114  128  133  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     G   271_B     G   271_B     74  100  279     69   97  114  128  133  159  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     I   272_B     I   272_B     74  100  279     69   97  114  128  133  144  192  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     S   273_B     S   273_B     74  100  279     69   97  114  128  133  164  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     A   274_B     A   274_B     74  100  279     69   97  114  128  137  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     G   275_B     G   275_B     74  100  279     69   97  114  128  133  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     A   276_B     A   276_B     74  100  279     69   97  114  128  133  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     N   277_B     N   277_B     74  100  279     69   97  114  128  139  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     I   278_B     I   278_B     74  100  279     69   97  114  128  139  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     K   279_B     K   279_B     74  100  279     69   97  114  128  139  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     G   280_B     G   280_B     74  100  279     69   97  114  128  139  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     A   281_B     A   281_B     74  100  279     69   97  114  128  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     I   282_B     I   282_B     74  100  279     69   97  114  128  139  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     E   283_B     E   283_B     74  100  279     69   97  114  128  139  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     V   284_B     V   284_B     74  100  279     69   97  114  128  139  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     A   285_B     A   285_B     74  100  279     69   97  114  128  139  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     K   286_B     K   286_B     74  100  279     69   97  114  128  135  165  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     K   287_B     K   287_B     74  100  279     69   97  114  128  135  165  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     L   288_B     L   288_B     74  100  279     69   97  114  128  133  166  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     G   289_B     G   289_B     74  100  279     69   97  114  128  133  165  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     K   290_B     K   290_B     74  100  279     69   97  114  128  133  144  201  220  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     G   291_B     G   291_B     74  100  279     14   74  110  128  133  138  158  206  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     K   292_B     K   292_B     74  100  279     65   97  114  128  133  152  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     Q   293_B     Q   293_B     74  100  279     69   97  114  128  133  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     V   294_B     V   294_B     74  100  279     69   97  114  128  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     I   295_B     I   295_B     74  100  279     69   97  114  128  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     T   296_B     T   296_B     74  100  279     69   97  114  128  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     V   297_B     V   297_B     74  100  279     69   97  114  128  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     A   298_B     A   298_B     74  100  279     69   97  114  128  140  170  203  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     P   299_B     P   299_B     74  100  279     69   97  114  128  133  158  197  221  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     D   300_B     D   300_B     74  100  279     69   97  114  128  133  143  181  219  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     G   301_B     G   301_B     74  100  279     48   97  114  128  133  138  173  209  233  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     G   302_B     G   302_B     74  100  279     48   97  114  128  133  138  150  205  232  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     D   303_B     D   303_B     74  100  279     65   97  114  128  133  138  145  195  231  241  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     R   304_B     R   304_B     74  100  279     41   94  114  128  133  138  142  158  189  229  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     Y   305_B     Y   305_B     74  100  279     41   94  111  128  133  138  142  157  189  229  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     L   306_B     L   306_B     74  100  279     41   92  109  128  133  138  142  152  173  201  241  248  257  261  267  270  273  275  275  275 
LCS_GDT     S   307_B     S   307_B     74  100  279     17   90  114  128  133  138  142  158  178  218  241  249  257  261  267  270  273  275  275  275 
LCS_GDT     T   308_B     T   308_B     74  100  279      9   91  107  128  133  138  142  152  163  184  228  247  257  260  267  270  273  275  275  275 
LCS_GDT     E   309_B     E   309_B     74  100  279      9   91  107  127  133  138  142  152  163  184  228  247  257  260  267  270  273  275  275  275 
LCS_GDT     L   310_B     L   310_B     74  100  279     28   94  112  128  133  138  145  174  201  229  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     F   311_B     F   311_B     74  100  279     32   97  114  128  133  138  145  183  210  239  245  252  257  261  267  270  273  275  275  275 
LCS_GDT     N   312_B     N   312_B     74  100  279      4   76  105  127  133  138  142  152  163  184  228  241  256  260  267  270  273  275  275  275 
LCS_GDT     Y   313_B     Y   313_B     74   94  279      3   21   43   92  110  135  142  158  182  206  228  247  257  261  267  270  273  275  275  275 
LCS_AVERAGE  LCS_A:  52.19  (  23.15   34.14   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     69     97    114    128    140    170    203    221    233    241    245    252    257    261    267    270    273    275    275    275 
GDT PERCENT_AT  24.56  34.52  40.57  45.55  49.82  60.50  72.24  78.65  82.92  85.77  87.19  89.68  91.46  92.88  95.02  96.09  97.15  97.86  97.86  97.86
GDT RMS_LOCAL    3.82   0.48   0.74   0.91   1.54   1.98   2.29   2.44   2.58   2.70   2.79   2.97   3.13   3.22   3.43   3.52   3.68   3.77   3.77   3.77
GDT RMS_ALL_AT   7.26   7.14   6.69   6.86   4.51   4.22   4.18   4.19   4.17   4.16   4.16   4.13   4.12   4.11   4.10   4.10   4.10   4.09   4.09   4.09

# 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:  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:  E   283_B      E   283_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
#   possible swapping detected:  Y   313_B      Y   313_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    T     8_B      T     8_B     4.422     0    0.476   1.014     5.788   37.143   33.265
LGA    K     9_B      K     9_B     3.892     4    0.021   0.093     4.080   46.905   25.661
LGA    I    10_B      I    10_B     2.837     0    0.031   0.219     3.365   53.571   53.571
LGA    T    11_B      T    11_B     2.132     0    0.045   0.990     2.869   66.786   68.367
LGA    N    12_B      N    12_B     2.510     0    0.138   1.128     4.548   62.857   55.000
LGA    S    13_B      S    13_B     2.018     0    0.030   0.066     2.269   68.810   68.810
LGA    I    14_B      I    14_B     1.255     0    0.069   1.284     4.457   81.548   70.714
LGA    V    15_B      V    15_B     1.010     0    0.021   1.359     3.028   81.429   74.558
LGA    N    16_B      N    16_B     2.113     0    0.074   0.152     3.221   64.881   61.071
LGA    L    17_B      L    17_B     2.323     0    0.070   0.194     2.631   62.857   64.821
LGA    I    18_B      I    18_B     2.454     0    0.107   0.121     2.986   60.952   66.964
LGA    G    19_B      G    19_B     4.076     0    0.180   0.180     4.076   41.786   41.786
LGA    N    20_B      N    20_B     3.559     0    0.228   0.792     6.258   50.357   38.988
LGA    T    21_B      T    21_B     3.429     0    0.050   0.212     4.256   48.333   44.422
LGA    P    22_B      P    22_B     2.456     0    0.030   0.076     2.818   62.857   62.585
LGA    I    23_B      I    23_B     1.774     0    0.069   0.094     2.950   72.976   67.976
LGA    V    24_B      V    24_B     1.202     0    0.085   1.137     3.538   81.429   72.517
LGA    K    25_B      K    25_B     1.488     0    0.057   0.143     3.364   79.286   67.884
LGA    L    26_B      L    26_B     1.729     0    0.311   0.358     3.648   65.595   69.226
LGA    N    27_B      N    27_B     2.586     0    0.722   0.683     5.390   51.548   54.405
LGA    R    28_B      R    28_B     2.604     0    0.084   1.140     9.162   55.595   37.619
LGA    V    29_B      V    29_B     2.657     0    0.034   0.066     3.040   57.262   61.633
LGA    V    30_B      V    30_B     2.740     0    0.018   1.366     4.027   53.571   52.313
LGA    P    31_B      P    31_B     3.600     0    0.041   0.054     3.714   45.000   47.211
LGA    E    32_B      E    32_B     3.994     4    0.038   0.064     4.303   40.238   22.011
LGA    D    33_B      D    33_B     4.217     0    0.044   0.684     4.500   37.143   42.202
LGA    A    34_B      A    34_B     3.647     0    0.037   0.052     3.837   43.333   44.667
LGA    A    35_B      A    35_B     3.162     0    0.033   0.080     3.400   55.476   55.810
LGA    D    36_B      D    36_B     2.416     0    0.046   0.118     3.325   64.881   58.333
LGA    V    37_B      V    37_B     1.258     0    0.057   0.104     1.689   79.286   81.497
LGA    Y    38_B      Y    38_B     1.245     0    0.016   0.245     3.500   83.690   66.786
LGA    V    39_B      V    39_B     1.169     0    0.047   0.131     1.523   79.286   80.272
LGA    K    40_B      K    40_B     2.063     0    0.034   0.531     4.704   66.786   57.831
LGA    L    41_B      L    41_B     2.378     0    0.026   0.052     3.089   59.167   65.000
LGA    E    42_B      E    42_B     3.283     0    0.017   0.967     6.519   48.452   39.947
LGA    F    43_B      F    43_B     3.691     0    0.019   0.178     4.203   43.452   47.100
LGA    F    44_B      F    44_B     4.196     0    0.132   0.864     8.303   34.524   23.160
LGA    N    45_B      N    45_B     4.312     0    0.086   1.023     5.269   43.690   39.048
LGA    P    46_B      P    46_B     5.273     0    0.040   0.237     7.496   31.786   23.946
LGA    G    47_B      G    47_B     2.260     0    0.184   0.184     5.601   50.595   50.595
LGA    G    48_B      G    48_B     4.073     0    0.055   0.055     5.229   39.405   39.405
LGA    S    49_B      S    49_B     2.874     0    0.112   0.538     3.038   55.357   58.571
LGA    I    50_B      I    50_B     2.868     0    0.142   1.133     4.562   59.048   56.786
LGA    K    51_B      K    51_B     3.060     2    0.160   0.793     3.413   51.786   42.116
LGA    D    52_B      D    52_B     2.610     0    0.043   0.205     4.119   60.952   52.321
LGA    R    53_B      R    53_B     1.075     0    0.047   1.077     4.513   79.286   78.009
LGA    I    54_B      I    54_B     2.022     0    0.027   0.703     2.929   66.786   64.821
LGA    A    55_B      A    55_B     2.196     0    0.026   0.047     2.498   68.810   68.000
LGA    L    56_B      L    56_B     1.509     0    0.053   0.158     1.699   77.143   82.679
LGA    A    57_B      A    57_B     1.619     0    0.096   0.106     1.633   75.000   74.571
LGA    M    58_B      M    58_B     1.755     0    0.066   0.247     2.759   72.857   66.905
LGA    I    59_B      I    59_B     1.467     0    0.030   0.661     2.475   79.286   75.060
LGA    E    60_B      E    60_B     1.497     0    0.008   0.165     1.518   81.429   80.476
LGA    E    61_B      E    61_B     1.499     0    0.039   0.951     3.328   75.000   67.831
LGA    A    62_B      A    62_B     1.511     0    0.050   0.049     1.763   75.000   74.571
LGA    E    63_B      E    63_B     1.674     0    0.055   0.295     2.458   75.000   71.111
LGA    K    64_B      K    64_B     1.780     4    0.059   0.064     1.804   72.857   40.476
LGA    A    65_B      A    65_B     1.698     0    0.099   0.111     2.123   75.000   72.952
LGA    G    66_B      G    66_B     1.677     0    0.159   0.159     1.835   72.857   72.857
LGA    K    67_B      K    67_B     1.772     4    0.138   0.149     2.143   70.833   38.677
LGA    L    68_B      L    68_B     1.398     0    0.081   1.380     3.053   75.119   72.262
LGA    Q    69_B      Q    69_B     2.143     4    0.077   0.132     2.567   66.786   36.032
LGA    A    70_B      A    70_B     2.264     0    0.673   0.626     3.832   59.405   58.952
LGA    G    71_B      G    71_B     2.636     0    0.059   0.059     2.636   60.952   60.952
LGA    G    72_B      G    72_B     2.199     0    0.072   0.072     2.229   68.810   68.810
LGA    T    73_B      T    73_B     1.329     0    0.068   0.074     1.793   79.286   78.980
LGA    I    74_B      I    74_B     0.886     0    0.027   0.414     2.409   88.214   85.000
LGA    V    75_B      V    75_B     0.895     0    0.083   0.994     3.120   90.476   82.109
LGA    E    76_B      E    76_B     0.752     0    0.028   1.000     4.546   88.214   78.095
LGA    P    77_B      P    77_B     1.184     0    0.136   0.205     1.413   81.429   82.721
LGA    T    78_B      T    78_B     1.285     0    0.075   0.180     1.625   79.286   78.980
LGA    S    79_B      S    79_B     1.587     0    0.060   0.178     2.655   72.857   68.889
LGA    G    80_B      G    80_B     1.861     0    0.099   0.099     1.861   72.857   72.857
LGA    N    81_B      N    81_B     1.973     3    0.085   0.117     2.506   72.857   43.571
LGA    T    82_B      T    82_B     1.820     0    0.047   0.137     2.532   75.000   68.435
LGA    G    83_B      G    83_B     0.708     0    0.034   0.034     0.960   90.476   90.476
LGA    V    84_B      V    84_B     1.073     0    0.023   0.186     1.625   83.690   81.497
LGA    G    85_B      G    85_B     1.581     0    0.037   0.037     1.581   77.143   77.143
LGA    L    86_B      L    86_B     1.239     0    0.022   0.222     2.008   81.429   79.345
LGA    A    87_B      A    87_B     0.841     0    0.049   0.051     1.060   88.214   88.667
LGA    M    88_B      M    88_B     1.454     0    0.064   0.960     2.055   77.143   73.988
LGA    V    89_B      V    89_B     1.988     0    0.035   0.080     2.349   70.833   68.231
LGA    A    90_B      A    90_B     1.490     0    0.053   0.056     1.885   75.000   76.286
LGA    A    91_B      A    91_B     1.332     0    0.042   0.045     1.923   77.143   78.000
LGA    A    92_B      A    92_B     2.181     0    0.087   0.082     2.345   66.786   66.381
LGA    K    93_B      K    93_B     2.327     0    0.060   0.809     2.612   62.857   68.624
LGA    G    94_B      G    94_B     2.154     0    0.051   0.051     2.154   68.810   68.810
LGA    Y    95_B      Y    95_B     1.585     0    0.059   0.249     2.297   75.000   70.198
LGA    H    96_B      H    96_B     1.248     0    0.023   1.424     7.113   81.429   51.286
LGA    L    97_B      L    97_B     0.741     0    0.022   0.159     0.943   90.476   94.048
LGA    V    98_B      V    98_B     1.169     0    0.057   0.071     1.470   85.952   84.014
LGA    I    99_B      I    99_B     1.123     0    0.056   0.164     1.639   77.143   81.548
LGA    T   100_B      T   100_B     1.884     0    0.055   1.061     3.959   72.857   68.639
LGA    M   101_B      M   101_B     2.308     0    0.055   0.804     2.551   60.952   67.024
LGA    P   102_B      P   102_B     3.003     0    0.013   0.245     3.266   55.357   55.102
LGA    E   103_B      E   103_B     3.158     0    0.032   0.135     5.157   50.000   40.476
LGA    T   104_B      T   104_B     3.549     0    0.016   0.098     4.428   48.333   43.537
LGA    M   105_B      M   105_B     3.075     0    0.030   0.938     6.420   48.333   39.048
LGA    S   106_B      S   106_B     3.371     0    0.388   0.786     7.259   53.571   41.746
LGA    V   107_B      V   107_B     2.794     0    0.664   1.361     5.628   51.905   45.170
LGA    E   108_B      E   108_B     3.437     0    0.057   0.941     5.505   53.571   43.704
LGA    R   109_B      R   109_B     1.442     4    0.066   0.729     2.007   81.786   53.593
LGA    R   110_B      R   110_B     1.205     0    0.109   0.882     3.650   81.429   71.126
LGA    K   111_B      K   111_B     1.595     0    0.037   0.878     5.844   79.286   62.169
LGA    L   112_B      L   112_B     1.121     0    0.068   0.202     2.020   85.952   81.607
LGA    M   113_B      M   113_B     0.739     0    0.012   0.239     1.152   90.476   89.345
LGA    Q   114_B      Q   114_B     0.825     0    0.019   0.254     2.174   90.476   81.693
LGA    G   115_B      G   115_B     0.658     0    0.054   0.054     0.756   92.857   92.857
LGA    Y   116_B      Y   116_B     0.306     0    0.031   0.057     0.950   97.619   93.651
LGA    G   117_B      G   117_B     0.642     0    0.068   0.068     1.349   90.595   90.595
LGA    A   118_B      A   118_B     0.819     0    0.025   0.032     1.201   85.952   86.857
LGA    E   119_B      E   119_B     1.514     0    0.021   0.709     2.740   75.000   71.164
LGA    L   120_B      L   120_B     1.696     0    0.046   0.946     2.964   66.905   66.905
LGA    I   121_B      I   121_B     2.420     1    0.082   0.084     2.687   62.857   54.762
LGA    L   122_B      L   122_B     2.791     0    0.064   0.110     3.208   53.571   54.524
LGA    T   123_B      T   123_B     3.463     0    0.035   0.081     3.847   46.667   48.095
LGA    P   124_B      P   124_B     4.765     0    0.030   0.129     5.266   32.857   30.748
LGA    G   125_B      G   125_B     5.073     0    0.057   0.057     5.366   27.500   27.500
LGA    A   126_B      A   126_B     6.018     0    0.030   0.043     6.301   20.357   19.714
LGA    D   127_B      D   127_B     4.705     0    0.120   0.352     5.641   32.976   31.667
LGA    G   128_B      G   128_B     4.319     0    0.024   0.024     4.498   40.238   40.238
LGA    M   129_B      M   129_B     3.171     0    0.092   0.620     3.729   50.119   51.905
LGA    K   130_B      K   130_B     3.324     4    0.046   0.088     3.450   51.786   28.571
LGA    G   131_B      G   131_B     3.566     0    0.079   0.079     3.566   46.667   46.667
LGA    A   132_B      A   132_B     2.547     0    0.026   0.034     2.990   60.952   60.190
LGA    I   133_B      I   133_B     1.838     0    0.075   0.149     2.382   70.833   71.905
LGA    A   134_B      A   134_B     2.504     0    0.037   0.051     2.808   60.952   60.190
LGA    K   135_B      K   135_B     2.594     0    0.022   0.670     4.633   60.952   54.392
LGA    A   136_B      A   136_B     1.867     0    0.055   0.063     2.203   70.833   71.238
LGA    E   137_B      E   137_B     1.623     2    0.038   0.078     1.889   72.857   59.524
LGA    E   138_B      E   138_B     2.153     0    0.022   1.190     6.554   64.762   45.873
LGA    L   139_B      L   139_B     2.234     0    0.025   0.156     2.996   64.762   61.905
LGA    V   140_B      V   140_B     1.993     0    0.100   0.190     2.084   70.833   69.388
LGA    K   141_B      K   141_B     1.919     4    0.056   0.080     2.132   68.810   37.778
LGA    E   142_B      E   142_B     2.117     4    0.067   0.122     2.171   68.810   37.778
LGA    K   143_B      K   143_B     1.721     4    0.024   0.062     1.882   72.857   41.429
LGA    G   144_B      G   144_B     1.613     0    0.079   0.079     1.669   77.143   77.143
LGA    Y   145_B      Y   145_B     1.247     0    0.061   0.184     1.503   79.286   88.333
LGA    F   146_B      F   146_B     0.972     0    0.065   0.100     1.396   88.214   83.896
LGA    M   147_B      M   147_B     0.828     0    0.094   0.179     1.353   85.952   88.214
LGA    P   148_B      P   148_B     1.308     0    0.267   0.312     2.989   71.190   76.871
LGA    M   149_B      M   149_B     3.172     3    0.247   0.290     4.217   63.095   36.190
LGA    Q   150_B      Q   150_B     3.067     4    0.660   0.612     5.095   50.119   25.185
LGA    F   151_B      F   151_B     3.092     0    0.049   1.263    11.884   61.071   26.234
LGA    D   152_B      D   152_B     3.991     3    0.174   0.183     5.784   38.333   21.845
LGA    N   153_B      N   153_B     7.018     3    0.135   0.171     8.123   16.667    8.929
LGA    P   154_B      P   154_B     7.515     0    0.243   0.240     9.821    5.476    4.082
LGA    A   155_B      A   155_B    12.163     0    0.548   0.555    14.155    0.000    0.000
LGA    H   160_B      H   160_B    12.035     5    0.606   0.596    12.902    0.000    0.000
LGA    E   161_B      E   161_B     8.460     0    0.154   0.793     9.570    4.881    6.296
LGA    E   162_B      E   162_B     7.006     0    0.148   0.814     8.581   10.833    7.619
LGA    T   163_B      T   163_B     8.560     0    0.145   0.221     9.917    3.333    2.585
LGA    T   164_B      T   164_B     9.600     0    0.064   0.088    11.083    1.905    1.088
LGA    G   165_B      G   165_B     6.969     0    0.029   0.029     7.792   11.786   11.786
LGA    K   166_B      K   166_B     6.845     4    0.058   0.070     7.617   10.238    6.032
LGA    E   167_B      E   167_B     9.213     0    0.053   0.467    10.806    2.024    0.952
LGA    I   168_B      I   168_B     9.330     0    0.028   0.098     9.953    1.786    1.369
LGA    L   169_B      L   169_B     7.689     0    0.029   1.159     8.666    5.476   13.274
LGA    E   170_B      E   170_B     9.475     0    0.013   0.956    13.083    1.071    0.582
LGA    A   171_B      A   171_B    11.090     0    0.093   0.097    11.872    0.000    0.000
LGA    F   172_B      F   172_B    10.187     0    0.040   0.226    10.310    0.000    0.736
LGA    G   173_B      G   173_B    10.867     0    0.669   0.669    10.867    0.357    0.357
LGA    D   174_B      D   174_B    11.061     0    0.122   0.324    14.430    0.119    0.060
LGA    D   175_B      D   175_B     9.270     0    0.249   0.434     9.983    2.381    1.786
LGA    I   176_B      I   176_B     5.264     0    0.148   1.146     6.617   25.595   24.821
LGA    P   177_B      P   177_B     3.425     0    0.073   0.410     4.174   48.571   47.415
LGA    D   178_B      D   178_B     2.860     0    0.033   0.203     4.685   59.167   50.595
LGA    A   179_B      A   179_B     1.857     0    0.025   0.037     2.280   70.833   71.238
LGA    F   180_B      F   180_B     1.496     0    0.021   0.107     2.095   79.286   73.723
LGA    V   181_B      V   181_B     1.030     0    0.034   0.077     1.264   81.429   84.014
LGA    A   182_B      A   182_B     1.387     0    0.021   0.027     1.606   81.429   79.714
LGA    G   183_B      G   183_B     1.638     0    0.058   0.058     1.681   75.000   75.000
LGA    V   184_B      V   184_B     2.149     0    0.526   1.369     5.398   53.452   59.592
LGA    G   185_B      G   185_B     2.675     0    0.067   0.067     3.701   55.833   55.833
LGA    T   186_B      T   186_B     4.930     0    0.129   0.175     6.640   30.357   25.374
LGA    G   187_B      G   187_B     3.265     0    0.086   0.086     3.613   48.333   48.333
LGA    G   188_B      G   188_B     4.432     0    0.066   0.066     4.432   38.690   38.690
LGA    T   189_B      T   189_B     3.952     0    0.028   0.134     5.085   46.667   40.204
LGA    L   190_B      L   190_B     2.392     0    0.019   1.339     2.741   62.857   67.262
LGA    T   191_B      T   191_B     2.436     0    0.029   0.114     2.987   60.952   59.320
LGA    G   192_B      G   192_B     3.141     0    0.027   0.027     3.141   51.786   51.786
LGA    V   193_B      V   193_B     2.930     0    0.050   0.121     3.169   57.143   56.122
LGA    G   194_B      G   194_B     2.281     0    0.058   0.058     2.378   64.762   64.762
LGA    H   195_B      H   195_B     2.783     0    0.030   1.140     4.559   57.262   57.238
LGA    A   196_B      A   196_B     3.432     0    0.011   0.045     3.781   48.333   47.333
LGA    L   197_B      L   197_B     3.066     0    0.023   0.079     3.474   51.786   53.571
LGA    K   198_B      K   198_B     2.682     0    0.064   0.643     2.818   57.143   66.032
LGA    K   199_B      K   199_B     3.191     2    0.053   0.218     3.304   51.786   39.683
LGA    A   200_B      A   200_B     3.208     0    0.037   0.051     3.444   50.000   50.000
LGA    N   201_B      N   201_B     2.973     0    0.041   0.376     4.537   55.357   49.524
LGA    P   202_B      P   202_B     2.346     0    0.091   0.109     2.862   62.857   60.408
LGA    N   203_B      N   203_B     2.274     0    0.051   1.115     3.923   64.762   60.179
LGA    V   204_B      V   204_B     2.234     0    0.031   1.006     3.922   70.952   62.177
LGA    Q   205_B      Q   205_B     1.609     0    0.020   0.391     3.261   77.143   71.323
LGA    I   206_B      I   206_B     1.374     0    0.038   0.071     1.909   83.690   80.417
LGA    Y   207_B      Y   207_B     0.913     0    0.055   0.099     1.588   83.690   85.992
LGA    A   208_B      A   208_B     1.238     0    0.027   0.038     1.530   83.690   81.524
LGA    L   209_B      L   209_B     1.704     0    0.017   1.143     3.872   70.952   64.286
LGA    E   210_B      E   210_B     2.753     0    0.070   0.297     2.949   59.048   60.529
LGA    P   211_B      P   211_B     3.321     0    0.068   0.095     3.660   50.000   48.095
LGA    A   212_B      A   212_B     3.761     0    0.566   0.518     4.116   43.452   43.429
LGA    P   236_B      P   236_B    14.788     0    0.482   0.899    15.891    0.000    0.000
LGA    K   237_B      K   237_B    15.271     0    0.511   1.001    18.397    0.000    0.000
LGA    V   238_B      V   238_B    14.832     0    0.589   0.935    17.143    0.000    0.000
LGA    L   239_B      L   239_B     8.846     0    0.157   1.206    11.038    3.095    7.024
LGA    D   240_B      D   240_B     6.773     0    0.022   1.073     7.649   19.524   15.714
LGA    T   241_B      T   241_B     3.478     0    0.137   0.176     5.492   54.762   44.082
LGA    D   242_B      D   242_B     2.387     0    0.210   0.178     4.114   62.857   55.714
LGA    V   243_B      V   243_B     1.587     0    0.055   0.114     1.877   77.143   79.048
LGA    Y   244_B      Y   244_B     1.164     0    0.075   0.496     2.674   81.429   74.563
LGA    N   245_B      N   245_B     0.966     0    0.050   0.303     1.711   88.214   83.750
LGA    G   246_B      G   246_B     1.039     0    0.088   0.088     1.039   88.214   88.214
LGA    I   247_B      I   247_B     0.891     0    0.033   0.051     1.396   90.476   85.952
LGA    L   248_B      L   248_B     1.140     0    0.049   0.136     1.713   81.548   83.750
LGA    E   249_B      E   249_B     2.064     0    0.114   0.337     3.193   62.976   65.979
LGA    I   250_B      I   250_B     3.269     0    0.060   0.583     4.351   48.452   47.679
LGA    K   251_B      K   251_B     4.421     2    0.044   0.106     5.223   37.262   26.455
LGA    S   252_B      S   252_B     4.983     0    0.015   0.581     6.016   30.119   27.302
LGA    D   253_B      D   253_B     5.503     0    0.080   0.955     8.947   25.000   17.024
LGA    D   254_B      D   254_B     4.463     0    0.037   0.703     6.237   35.714   31.845
LGA    A   255_B      A   255_B     3.747     0    0.066   0.086     4.043   40.238   40.857
LGA    I   256_B      I   256_B     4.853     0    0.020   0.107     5.748   32.857   28.333
LGA    T   257_B      T   257_B     4.869     0    0.030   0.115     5.368   34.286   30.816
LGA    M   258_B      M   258_B     3.660     0    0.033   0.878     4.132   41.786   45.060
LGA    A   259_B      A   259_B     3.696     0    0.050   0.057     3.902   43.333   43.333
LGA    R   260_B      R   260_B     4.365     0    0.013   1.338    10.464   37.143   21.039
LGA    E   261_B      E   261_B     3.794     0    0.035   0.181     4.446   45.119   42.063
LGA    V   262_B      V   262_B     2.448     0    0.013   0.069     2.947   62.857   64.830
LGA    G   263_B      G   263_B     3.076     0    0.120   0.120     3.153   51.786   51.786
LGA    H   264_B      H   264_B     3.547     0    0.113   0.857     5.470   48.333   40.667
LGA    Q   265_B      Q   265_B     2.939     0    0.027   1.065     5.232   59.167   51.587
LGA    E   266_B      E   266_B     1.565     0    0.062   0.742     4.383   72.976   65.026
LGA    G   267_B      G   267_B     1.872     0    0.056   0.056     1.885   72.857   72.857
LGA    I   268_B      I   268_B     1.749     0    0.024   0.150     2.678   66.905   73.095
LGA    L   269_B      L   269_B     3.460     0    0.064   0.204     5.197   50.119   40.952
LGA    V   270_B      V   270_B     3.055     0    0.034   0.133     3.476   50.000   54.150
LGA    G   271_B      G   271_B     3.646     0    0.047   0.047     3.657   46.667   46.667
LGA    I   272_B      I   272_B     4.032     0    0.035   0.200     5.070   40.238   36.607
LGA    S   273_B      S   273_B     3.469     0    0.102   0.508     3.888   48.333   46.667
LGA    A   274_B      A   274_B     2.628     0    0.037   0.044     2.876   59.048   58.667
LGA    G   275_B      G   275_B     2.918     0    0.035   0.035     2.932   57.143   57.143
LGA    A   276_B      A   276_B     3.039     0    0.029   0.045     3.376   53.571   52.857
LGA    N   277_B      N   277_B     2.188     0    0.012   0.058     2.536   66.905   64.881
LGA    I   278_B      I   278_B     1.761     0    0.043   0.077     1.960   72.857   72.857
LGA    K   279_B      K   279_B     2.427     0    0.038   0.563     5.995   64.762   48.360
LGA    G   280_B      G   280_B     1.896     0    0.052   0.052     2.102   72.976   72.976
LGA    A   281_B      A   281_B     0.925     0    0.022   0.039     1.317   83.690   85.048
LGA    I   282_B      I   282_B     2.012     0    0.017   0.085     2.558   64.881   63.869
LGA    E   283_B      E   283_B     2.445     0    0.066   0.842     3.568   62.857   58.995
LGA    V   284_B      V   284_B     1.707     0    0.026   0.059     2.226   68.810   75.510
LGA    A   285_B      A   285_B     2.206     0    0.023   0.045     3.055   61.190   61.905
LGA    K   286_B      K   286_B     3.290     0    0.027   0.336     5.263   50.119   45.926
LGA    K   287_B      K   287_B     3.388     2    0.098   0.145     3.789   48.333   38.942
LGA    L   288_B      L   288_B     3.359     0    0.017   0.182     4.155   45.119   50.238
LGA    G   289_B      G   289_B     3.898     0    0.066   0.066     3.993   43.333   43.333
LGA    K   290_B      K   290_B     4.468     2    0.649   0.819     4.896   35.714   28.413
LGA    G   291_B      G   291_B     5.305     0    0.033   0.033     5.305   28.810   28.810
LGA    K   292_B      K   292_B     3.904     0    0.049   0.541     4.800   41.786   40.688
LGA    Q   293_B      Q   293_B     3.020     0    0.052   1.063     7.014   53.571   39.259
LGA    V   294_B      V   294_B     1.708     0    0.049   0.074     2.018   72.976   75.374
LGA    I   295_B      I   295_B     1.578     0    0.054   1.139     3.921   77.143   73.452
LGA    T   296_B      T   296_B     1.202     0    0.019   0.086     1.557   79.286   80.204
LGA    V   297_B      V   297_B     2.045     0    0.045   1.084     4.313   66.786   64.354
LGA    A   298_B      A   298_B     2.486     0    0.051   0.073     2.832   60.952   61.714
LGA    P   299_B      P   299_B     3.753     0    0.121   0.257     4.141   43.452   44.422
LGA    D   300_B      D   300_B     4.316     0    0.101   0.299     4.465   41.905   41.131
LGA    G   301_B      G   301_B     4.689     0    0.063   0.063     5.111   30.119   30.119
LGA    G   302_B      G   302_B     4.932     0    0.028   0.028     5.597   27.619   27.619
LGA    D   303_B      D   303_B     5.433     0    0.150   1.184     6.662   20.714   26.190
LGA    R   304_B      R   304_B     6.481     6    0.046   0.059     7.079   15.476    7.186
LGA    Y   305_B      Y   305_B     6.650     0    0.064   0.293     7.218   11.667   22.421
LGA    L   306_B      L   306_B     7.429     0    0.652   0.628    10.469    6.190    9.821
LGA    S   307_B      S   307_B     7.520     0    0.057   0.727     8.499    6.667    6.825
LGA    T   308_B      T   308_B     8.282     0    0.056   0.163     8.282    5.952    5.782
LGA    E   309_B      E   309_B     8.438     3    0.143   0.534     9.037    5.952    3.598
LGA    L   310_B      L   310_B     6.642     0    0.081   0.156     7.414   14.405   18.571
LGA    F   311_B      F   311_B     6.298     0    0.362   0.372     6.733   16.190   20.433
LGA    N   312_B      N   312_B     8.741     0    0.652   1.271    14.406    5.476    2.738
LGA    Y   313_B      Y   313_B     8.096     0    0.234   1.369    10.000    3.452    3.492

# 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):     4.086          4.072                  4.356           54.923   51.447

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  306  281    4.0    221    2.44    63.701    58.670     8.706

LGA_LOCAL      RMSD:   2.438  Number of atoms:  221  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   4.187  Number of assigned atoms:  279 
Std_ASGN_ATOMS RMSD:   4.086  Standard rmsd on all 279 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.829459 * X  +  -0.510220 * Y  +   0.227317 * Z  +  10.287354
  Y_new =  -0.556560 * X  +   0.789418 * Y  +  -0.258961 * Z  +   1.738811
  Z_new =  -0.047321 * X  +  -0.341313 * Y  +  -0.938758 * Z  +   0.191536 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.550602  0.047339 -2.792871   [DEG: -146.1387    2.7123 -160.0197 ]
ZXZ:  0.720415  2.789803 -3.003828   [DEG:   41.2768  159.8439 -172.1066 ]
 
# END of job
