
#######################################################
#                                                     #
#                        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       4.08     4.08
  LCS_AVERAGE:     99.29

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   119      34_B - 152_B       2.00     4.65
  LONGEST_CONTINUOUS_SEGMENT:   119      35_B - 153_B       1.98     4.80
  LONGEST_CONTINUOUS_SEGMENT:   119      36_B - 154_B       1.97     4.99
  LCS_AVERAGE:     34.45

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    98      51_B - 148_B       0.98     5.77
  LONGEST_CONTINUOUS_SEGMENT:    98      52_B - 149_B       0.99     5.77
  LONGEST_CONTINUOUS_SEGMENT:    98      53_B - 150_B       1.00     5.78
  LCS_AVERAGE:     22.97

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     11   16  279      5   37   91  112  133  156  187  218  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     K     9_B     K     9_B     11   16  279      8   55   95  112  133  156  189  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     I    10_B     I    10_B     11   16  279     22   68   97  115  137  171  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     T    11_B     T    11_B     11   16  279      4   68   97  115  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     N    12_B     N    12_B     11   17  279      5   51   97  115  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     S    13_B     S    13_B     11   17  279      5   51   97  115  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     I    14_B     I    14_B     11   32  279      6   59   97  115  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     V    15_B     V    15_B     11   32  279     26   68   97  115  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     N    16_B     N    16_B     11   32  279     40   73   97  115  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     L    17_B     L    17_B     11   32  279      8   73   97  115  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     I    18_B     I    18_B     28   32  279      6   45  101  119  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     G    19_B     G    19_B     28   32  279      6    7  101  128  134  138  161  214  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     N    20_B     N    20_B     28   50  279      7   83  116  129  134  138  177  219  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     T    21_B     T    21_B     28   50  279     70   98  116  129  134  153  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     P    22_B     P    22_B     28   50  279     70   98  116  129  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     I    23_B     I    23_B     28   50  279     62   98  116  129  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     V    24_B     V    24_B     28   50  279     70   98  116  129  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     K    25_B     K    25_B     28   50  279     70   98  116  129  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     L    26_B     L    26_B     28   50  279     70   98  116  129  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     N    27_B     N    27_B     28   50  279     67   98  116  129  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     R    28_B     R    28_B     28   50  279     70   98  116  129  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     V    29_B     V    29_B     28   50  279     70   98  116  129  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     V    30_B     V    30_B     28   50  279     70   98  116  129  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     P    31_B     P    31_B     28   50  279     70   98  116  129  134  167  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     E    32_B     E    32_B     28   50  279     68   98  116  129  134  163  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     D    33_B     D    33_B     28   50  279     43   98  116  129  134  163  198  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     A    34_B     A    34_B     28  119  279     70   98  116  129  134  168  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     A    35_B     A    35_B     28  119  279     70   98  116  129  134  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     D    36_B     D    36_B     28  119  279     70   98  116  129  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     V    37_B     V    37_B     28  119  279     70   98  116  129  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     Y    38_B     Y    38_B     28  119  279     70   98  116  129  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     V    39_B     V    39_B     28  119  279     70   98  116  129  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     K    40_B     K    40_B     28  119  279     70   98  116  129  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     L    41_B     L    41_B     28  119  279     70   98  116  129  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     E    42_B     E    42_B     28  119  279     68   98  116  129  135  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     F    43_B     F    43_B     28  119  279     58   95  116  129  134  157  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     F    44_B     F    44_B     28  119  279     41   98  116  129  134  147  182  209  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     N    45_B     N    45_B     28  119  279     10   98  116  129  134  142  182  209  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     P    46_B     P    46_B     28  119  279      4    6   95  126  134  138  153  202  231  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     G    47_B     G    47_B     32  119  279      4   48   82  108  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     G    48_B     G    48_B     32  119  279      4    6   23   50  103  148  193  216  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     S    49_B     S    49_B     33  119  279      3   31   54   92  134  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     I    50_B     I    50_B     54  119  279      3   34   60   97  134  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     K    51_B     K    51_B     98  119  279     11   35   64  102  134  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     D    52_B     D    52_B     98  119  279     16   69   94  114  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     R    53_B     R    53_B     98  119  279     18   66   97  115  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     I    54_B     I    54_B     98  119  279     15   49   92  115  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     A    55_B     A    55_B     98  119  279     15   50   94  115  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     L    56_B     L    56_B     98  119  279     28   73   97  115  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     A    57_B     A    57_B     98  119  279     17   63   97  115  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     M    58_B     M    58_B     98  119  279     15   51   96  115  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     I    59_B     I    59_B     98  119  279     25   73   97  115  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     E    60_B     E    60_B     98  119  279     17   73   97  115  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     E    61_B     E    61_B     98  119  279     17   67   97  115  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     A    62_B     A    62_B     98  119  279     17   73   97  115  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     E    63_B     E    63_B     98  119  279     23   73   97  115  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     K    64_B     K    64_B     98  119  279     17   72   97  115  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     A    65_B     A    65_B     98  119  279     17   73   97  115  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     G    66_B     G    66_B     98  119  279     37   73   97  115  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     K    67_B     K    67_B     98  119  279     31   73   97  115  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     L    68_B     L    68_B     98  119  279     31   73   97  115  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     Q    69_B     Q    69_B     98  119  279     26   72   97  115  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     A    70_B     A    70_B     98  119  279      3   65   97  115  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     G    71_B     G    71_B     98  119  279     41   73   97  115  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     G    72_B     G    72_B     98  119  279     41   73   97  115  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     T    73_B     T    73_B     98  119  279     43   73   97  115  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     I    74_B     I    74_B     98  119  279     43   73   97  115  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     V    75_B     V    75_B     98  119  279     43   73   97  115  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     E    76_B     E    76_B     98  119  279     43   73   97  115  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     P    77_B     P    77_B     98  119  279     43   73   97  115  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     T    78_B     T    78_B     98  119  279     41   73   97  115  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     S    79_B     S    79_B     98  119  279     41   73   97  115  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     G    80_B     G    80_B     98  119  279     40   73   97  115  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     N    81_B     N    81_B     98  119  279     22   70   97  115  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     T    82_B     T    82_B     98  119  279     14   70   97  115  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     G    83_B     G    83_B     98  119  279     29   73   97  115  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     V    84_B     V    84_B     98  119  279     43   73   97  115  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     G    85_B     G    85_B     98  119  279     43   73   97  115  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     L    86_B     L    86_B     98  119  279     43   73   97  115  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     A    87_B     A    87_B     98  119  279     43   73   97  115  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     M    88_B     M    88_B     98  119  279     43   73   97  115  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     V    89_B     V    89_B     98  119  279     42   73   97  115  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     A    90_B     A    90_B     98  119  279     42   73   97  115  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     A    91_B     A    91_B     98  119  279     43   73   97  115  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     A    92_B     A    92_B     98  119  279     43   73   97  115  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     K    93_B     K    93_B     98  119  279     43   73   97  115  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     G    94_B     G    94_B     98  119  279     34   73   97  115  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     Y    95_B     Y    95_B     98  119  279     43   73   97  115  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     H    96_B     H    96_B     98  119  279     43   73   97  115  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     L    97_B     L    97_B     98  119  279     43   73   97  115  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     V    98_B     V    98_B     98  119  279     43   73   97  115  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     I    99_B     I    99_B     98  119  279     43   73   97  115  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     T   100_B     T   100_B     98  119  279     43   73   97  115  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     M   101_B     M   101_B     98  119  279     43   73   97  115  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     P   102_B     P   102_B     98  119  279     43   73   97  115  137  168  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     E   103_B     E   103_B     98  119  279     41   73   97  115  137  168  196  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     T   104_B     T   104_B     98  119  279     43   73   97  115  137  164  196  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     M   105_B     M   105_B     98  119  279      6   69   97  115  137  168  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     S   106_B     S   106_B     98  119  279      3    3   47  110  137  164  196  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     V   107_B     V   107_B     98  119  279      3   24   83  114  137  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     E   108_B     E   108_B     98  119  279      4   62   95  112  135  164  196  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     R   109_B     R   109_B     98  119  279     16   73   97  115  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     R   110_B     R   110_B     98  119  279     38   73   97  115  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     K   111_B     K   111_B     98  119  279     43   73   97  115  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     L   112_B     L   112_B     98  119  279     43   73   97  115  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     M   113_B     M   113_B     98  119  279     43   73   97  115  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     Q   114_B     Q   114_B     98  119  279     43   73   97  115  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     G   115_B     G   115_B     98  119  279     42   73   97  115  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     Y   116_B     Y   116_B     98  119  279     43   73   97  115  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     G   117_B     G   117_B     98  119  279     43   73   97  115  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     A   118_B     A   118_B     98  119  279     43   73   97  115  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     E   119_B     E   119_B     98  119  279     43   73   97  115  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     L   120_B     L   120_B     98  119  279     43   73   97  115  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     I   121_B     I   121_B     98  119  279     43   73   97  115  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     L   122_B     L   122_B     98  119  279     43   73   97  115  137  168  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     T   123_B     T   123_B     98  119  279     36   73   97  115  137  164  196  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     P   124_B     P   124_B     98  119  279     21   70   95  112  133  153  179  204  228  241  244  253  256  261  267  270  272  275  275  275 
LCS_GDT     G   125_B     G   125_B     98  119  279     21   70   91  112  130  150  179  203  228  241  244  253  256  262  267  270  272  275  275  275 
LCS_GDT     A   126_B     A   126_B     98  119  279     21   62   89  108  125  142  162  185  213  233  242  250  256  260  267  270  272  275  275  275 
LCS_GDT     D   127_B     D   127_B     98  119  279     30   72   95  112  131  152  180  204  230  241  244  253  257  262  267  270  272  275  275  275 
LCS_GDT     G   128_B     G   128_B     98  119  279     30   70   95  112  133  158  187  212  232  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     M   129_B     M   129_B     98  119  279     42   73   97  112  137  168  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     K   130_B     K   130_B     98  119  279     42   73   97  112  137  168  198  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     G   131_B     G   131_B     98  119  279     42   73   97  112  137  164  196  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     A   132_B     A   132_B     98  119  279     43   73   97  115  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     I   133_B     I   133_B     98  119  279     43   73   97  115  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     A   134_B     A   134_B     98  119  279     43   73   97  115  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     K   135_B     K   135_B     98  119  279     43   73   97  115  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     A   136_B     A   136_B     98  119  279     43   73   97  115  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     E   137_B     E   137_B     98  119  279     43   73   97  115  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     E   138_B     E   138_B     98  119  279     43   73   97  115  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     L   139_B     L   139_B     98  119  279     43   73   97  115  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     V   140_B     V   140_B     98  119  279     43   73   97  115  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     K   141_B     K   141_B     98  119  279     43   73   97  115  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     E   142_B     E   142_B     98  119  279     34   73   97  115  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     K   143_B     K   143_B     98  119  279     16   71   97  115  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     G   144_B     G   144_B     98  119  279      6   57   96  115  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     Y   145_B     Y   145_B     98  119  279     16   73   97  115  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     F   146_B     F   146_B     98  119  279     43   73   97  115  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     M   147_B     M   147_B     98  119  279     43   73   97  115  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     P   148_B     P   148_B     98  119  279     16   73   97  115  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     M   149_B     M   149_B     98  119  279      8   21   59  100  137  167  198  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     Q   150_B     Q   150_B     98  119  279      6   34   86  107  136  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     F   151_B     F   151_B      6  119  279      3   11   38   81  134  167  198  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     D   152_B     D   152_B      6  119  279      4    6    6   68  103  146  191  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     N   153_B     N   153_B      6  119  279      4    6   30   49   64   92  122  147  166  205  242  253  258  262  267  270  272  275  275  275 
LCS_GDT     P   154_B     P   154_B      6  119  279      4   12   32   48   59   87  106  136  194  212  238  253  258  262  267  270  272  275  275  275 
LCS_GDT     A   155_B     A   155_B      6  115  279      4    6    6    6    8   13   47   56   66   82   95  117  149  182  209  239  263  275  275  275 
LCS_GDT     H   160_B     H   160_B      5   18  279      3    4    5   10   19   22   25   30   33   45   59   89  141  181  234  256  263  267  270  275 
LCS_GDT     E   161_B     E   161_B      5   18  279      3    4    5   16   22   30   64  104  155  195  221  238  251  262  267  270  272  275  275  275 
LCS_GDT     E   162_B     E   162_B     12   18  279      3    8   15   31   50   78  114  143  186  227  244  253  258  262  267  270  272  275  275  275 
LCS_GDT     T   163_B     T   163_B     12   18  279      8   11   15   20   33   54   83  105  155  188  214  238  253  262  267  270  272  275  275  275 
LCS_GDT     T   164_B     T   164_B     12   18  279      8   11   15   18   22   27   42   69  114  163  203  224  240  252  267  270  272  275  275  275 
LCS_GDT     G   165_B     G   165_B     12   18  279      8   11   15   24   43   65  101  153  193  224  244  253  258  262  267  270  272  275  275  275 
LCS_GDT     K   166_B     K   166_B     12   18  279      8   11   17   39   56   88  132  153  195  235  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     E   167_B     E   167_B     12   18  279      8   11   28   45   52   77  101  140  147  162  202  233  253  262  267  270  272  275  275  275 
LCS_GDT     I   168_B     I   168_B     12   18  279      8   11   15   23   46   68   99  135  146  154  172  225  245  261  267  270  272  275  275  275 
LCS_GDT     L   169_B     L   169_B     12   44  279      8   19   57  102  129  138  140  144  159  199  237  253  258  262  267  270  272  275  275  275 
LCS_GDT     E   170_B     E   170_B     12   44  279      8   26   59   95  122  137  140  142  147  160  178  208  240  261  267  270  272  275  275  275 
LCS_GDT     A   171_B     A   171_B     12   44  279      5   11   15   37   67   98  120  137  146  150  154  169  182  214  254  267  272  275  275  275 
LCS_GDT     F   172_B     F   172_B     12   44  279      5   11   15   23   61  100  122  140  146  150  156  172  230  249  259  270  272  275  275  275 
LCS_GDT     G   173_B     G   173_B     12   44  279      6   11   20   37   51   92  123  139  145  150  153  166  178  199  233  267  272  275  275  275 
LCS_GDT     D   174_B     D   174_B     12   44  279      3    6   20   37   54   92  130  139  145  150  156  166  180  198  233  267  272  275  275  275 
LCS_GDT     D   175_B     D   175_B     12   44  279      3   11   20   37   68  114  133  142  146  151  168  205  240  258  267  270  272  275  275  275 
LCS_GDT     I   176_B     I   176_B     37   44  279     23   94  113  129  134  138  147  198  232  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     P   177_B     P   177_B     37   44  279     57   98  116  129  134  168  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     D   178_B     D   178_B     37   44  279     70   98  116  129  134  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     A   179_B     A   179_B     37   44  279     70   98  116  129  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     F   180_B     F   180_B     37   44  279     70   98  116  129  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     V   181_B     V   181_B     37   44  279     70   98  116  129  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     A   182_B     A   182_B     37   44  279     43   98  116  129  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     G   183_B     G   183_B     37   44  279     23   72  116  129  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     V   184_B     V   184_B     37   44  279     11   71  112  129  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     G   185_B     G   185_B     37   44  279      6   59   94  112  135  169  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     T   186_B     T   186_B     37   44  279      5   28   58  107  127  138  174  208  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     G   187_B     G   187_B     37   44  279     15   58  112  129  135  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     G   188_B     G   188_B     37  102  279     30   70   94  116  134  157  197  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     T   189_B     T   189_B     37  102  279      6   33   80  110  135  167  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     L   190_B     L   190_B     37  102  279      6   55  116  129  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     T   191_B     T   191_B     37  102  279     17   74  116  129  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     G   192_B     G   192_B     37  102  279     17   58  109  129  136  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     V   193_B     V   193_B     37  102  279     18   77  116  129  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     G   194_B     G   194_B     37  102  279     17   64  116  129  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     H   195_B     H   195_B     37  102  279     13   69  116  129  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     A   196_B     A   196_B     37  102  279     20   88  116  129  134  170  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     L   197_B     L   197_B     37  102  279     25   94  116  129  134  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     K   198_B     K   198_B     37  102  279     15   92  116  129  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     K   199_B     K   199_B     37  102  279     15   84  116  129  134  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     A   200_B     A   200_B     37  102  279     23   92  116  129  134  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     N   201_B     N   201_B     37  102  279     37   94  116  129  134  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     P   202_B     P   202_B     37  102  279     15   92  116  129  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     N   203_B     N   203_B     37  102  279     54   94  116  129  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     V   204_B     V   204_B     37  102  279     68   98  116  129  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     Q   205_B     Q   205_B     37  102  279     70   98  116  129  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     I   206_B     I   206_B     37  102  279     70   98  116  129  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     Y   207_B     Y   207_B     37  102  279     70   98  116  129  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     A   208_B     A   208_B     37  102  279     68   98  116  129  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     L   209_B     L   209_B     37  102  279     26   98  116  129  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     E   210_B     E   210_B     37  102  279     26   98  116  129  134  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     P   211_B     P   211_B     37  102  279     23   91  112  129  134  171  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     A   212_B     A   212_B     37  102  279     23   91  110  129  134  166  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     P   236_B     P   236_B      3  102  279      0    3    3    5   11   14   42   73  123  141  150  151  155  161  178  187  212  236  243  262 
LCS_GDT     K   237_B     K   237_B      3  102  279      0    3    3    5    8   17   41   56   65  135  142  146  152  158  188  202  212  222  238  262 
LCS_GDT     V   238_B     V   238_B      5  102  279      3    5    8   10   17   23   41   56   72   80  104  139  151  158  174  187  192  222  243  252 
LCS_GDT     L   239_B     L   239_B     74  102  279      4    6   20   40   99  126  140  143  155  170  191  216  232  261  267  270  272  275  275  275 
LCS_GDT     D   240_B     D   240_B     74  102  279      4   45   91  112  131  138  145  168  214  232  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     T   241_B     T   241_B     74  102  279     14   64  106  129  134  164  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     D   242_B     D   242_B     74  102  279     58   95  116  129  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     V   243_B     V   243_B     74  102  279     20   91  116  129  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     Y   244_B     Y   244_B     74  102  279     68   98  116  129  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     N   245_B     N   245_B     74  102  279     58   98  116  129  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     G   246_B     G   246_B     74  102  279     70   98  116  129  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     I   247_B     I   247_B     74  102  279     45   98  116  129  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     L   248_B     L   248_B     74  102  279     26   98  116  129  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     E   249_B     E   249_B     74  102  279     26   91  116  129  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     I   250_B     I   250_B     74  102  279     46   98  116  129  134  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     K   251_B     K   251_B     74  102  279     48   98  116  129  134  149  191  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     S   252_B     S   252_B     74  102  279     29   98  116  129  134  138  174  205  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     D   253_B     D   253_B     74  102  279     70   98  116  129  134  138  174  202  232  240  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     D   254_B     D   254_B     74  102  279     70   98  116  129  134  139  191  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     A   255_B     A   255_B     74  102  279     70   98  116  129  134  160  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     I   256_B     I   256_B     74  102  279     70   98  116  129  134  138  174  205  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     T   257_B     T   257_B     74  102  279     70   98  116  129  134  138  174  212  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     M   258_B     M   258_B     74  102  279     70   98  116  129  134  162  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     A   259_B     A   259_B     74  102  279     70   98  116  129  134  160  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     R   260_B     R   260_B     74  102  279     70   98  116  129  134  139  191  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     E   261_B     E   261_B     74  102  279     70   98  116  129  134  162  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     V   262_B     V   262_B     74  102  279     70   98  116  129  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     G   263_B     G   263_B     74  102  279     70   98  116  129  134  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     H   264_B     H   264_B     74  102  279     70   98  116  129  134  168  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     Q   265_B     Q   265_B     74  102  279     70   98  116  129  136  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     E   266_B     E   266_B     74  102  279     70   98  116  129  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     G   267_B     G   267_B     74  102  279     70   98  116  129  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     I   268_B     I   268_B     74  102  279     70   98  116  129  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     L   269_B     L   269_B     74  102  279     70   98  116  129  134  171  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     V   270_B     V   270_B     74  102  279     70   98  116  129  134  171  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     G   271_B     G   271_B     74  102  279     70   98  116  129  134  139  195  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     I   272_B     I   272_B     74  102  279     70   98  116  129  134  139  191  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     S   273_B     S   273_B     74  102  279     70   98  116  129  134  160  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     A   274_B     A   274_B     74  102  279     70   98  116  129  134  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     G   275_B     G   275_B     74  102  279     70   98  116  129  134  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     A   276_B     A   276_B     74  102  279     70   98  116  129  134  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     N   277_B     N   277_B     74  102  279     70   98  116  129  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     I   278_B     I   278_B     74  102  279     70   98  116  129  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     K   279_B     K   279_B     74  102  279     70   98  116  129  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     G   280_B     G   280_B     74  102  279     70   98  116  129  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     A   281_B     A   281_B     74  102  279     70   98  116  129  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     I   282_B     I   282_B     74  102  279     70   98  116  129  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     E   283_B     E   283_B     74  102  279     70   98  116  129  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     V   284_B     V   284_B     74  102  279     70   98  116  129  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     A   285_B     A   285_B     74  102  279     70   98  116  129  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     K   286_B     K   286_B     74  102  279     70   98  116  129  134  170  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     K   287_B     K   287_B     74  102  279     70   98  116  129  134  168  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     L   288_B     L   288_B     74  102  279     70   98  116  129  134  168  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     G   289_B     G   289_B     74  102  279     70   98  116  129  134  168  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     K   290_B     K   290_B     74  102  279     70   98  116  129  134  144  196  219  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     G   291_B     G   291_B     74  102  279     18   66  112  129  134  138  154  202  232  240  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     K   292_B     K   292_B     74  102  279     58   98  116  129  134  153  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     Q   293_B     Q   293_B     74  102  279     70   98  116  129  134  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     V   294_B     V   294_B     74  102  279     70   98  116  129  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     I   295_B     I   295_B     74  102  279     70   98  116  129  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     T   296_B     T   296_B     74  102  279     70   98  116  129  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     V   297_B     V   297_B     74  102  279     70   98  116  129  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     A   298_B     A   298_B     74  102  279     70   98  116  129  138  172  199  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     P   299_B     P   299_B     74  102  279     70   98  116  129  134  155  195  220  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     D   300_B     D   300_B     74  102  279     70   98  116  129  134  138  177  214  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     G   301_B     G   301_B     74  102  279     50   98  116  129  134  138  171  207  233  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     G   302_B     G   302_B     74  102  279     50   98  116  129  134  138  153  205  231  241  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     D   303_B     D   303_B     74  102  279     58   98  116  129  134  138  143  188  217  239  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     R   304_B     R   304_B     74  102  279     58   98  116  129  134  138  143  162  211  232  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     Y   305_B     Y   305_B     74  102  279     23   95  116  129  134  138  143  166  211  232  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     L   306_B     L   306_B     74  102  279      6   93  116  129  134  138  143  158  195  232  244  253  258  262  267  270  272  275  275  275 
LCS_GDT     S   307_B     S   307_B     74  102  279     27   90  116  129  134  138  143  150  168  208  236  248  258  262  267  270  272  275  275  275 
LCS_GDT     T   308_B     T   308_B     74  102  279     41   94  113  129  134  138  143  150  169  208  234  248  258  262  267  270  272  275  275  275 
LCS_GDT     E   309_B     E   309_B     74  102  279     22   94  110  129  134  138  143  151  174  211  230  248  258  262  267  270  272  275  275  275 
LCS_GDT     L   310_B     L   310_B     74  102  279     49   98  116  129  134  138  143  181  211  232  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     F   311_B     F   311_B     74  102  279      7   98  116  129  134  138  143  181  212  232  245  253  258  262  267  270  272  275  275  275 
LCS_GDT     N   312_B     N   312_B     74  102  279     18   94  108  128  133  138  143  150  169  198  230  245  258  261  267  270  272  275  275  275 
LCS_GDT     Y   313_B     Y   313_B     74  101  279      3    5    5   46  108  125  141  152  179  208  230  246  258  262  267  270  272  275  275  275 
LCS_AVERAGE  LCS_A:  52.24  (  22.97   34.45   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     70     98    116    129    138    172    199    220    233    241    245    253    258    262    267    270    272    275    275    275 
GDT PERCENT_AT  24.91  34.88  41.28  45.91  49.11  61.21  70.82  78.29  82.92  85.77  87.19  90.04  91.81  93.24  95.02  96.09  96.80  97.86  97.86  97.86
GDT RMS_LOCAL    0.29   0.49   0.74   0.91   1.65   1.99   2.24   2.44   2.60   2.71   2.79   2.97   3.16   3.26   3.40   3.51   3.60   3.76   3.76   3.76
GDT RMS_ALL_AT   7.23   7.19   6.91   6.85   4.27   4.21   4.18   4.17   4.16   4.16   4.15   4.13   4.12   4.10   4.09   4.09   4.09   4.08   4.08   4.08

# Checking swapping
#   possible swapping detected:  Y    38_B      Y    38_B
#   possible swapping detected:  E    42_B      E    42_B
#   possible swapping detected:  F    44_B      F    44_B
#   possible swapping detected:  E    76_B      E    76_B
#   possible swapping detected:  E   103_B      E   103_B
#   possible swapping detected:  E   108_B      E   108_B
#   possible swapping detected:  Y   116_B      Y   116_B
#   possible swapping detected:  E   119_B      E   119_B
#   possible swapping detected:  E   138_B      E   138_B
#   possible swapping detected:  Y   145_B      Y   145_B
#   possible swapping detected:  E   161_B      E   161_B
#   possible swapping detected:  E   162_B      E   162_B
#   possible swapping detected:  E   170_B      E   170_B
#   possible swapping detected:  Y   207_B      Y   207_B
#   possible swapping detected:  D   240_B      D   240_B
#   possible swapping detected:  D   242_B      D   242_B
#   possible swapping detected:  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     4.441     0    0.147   1.125     5.937   35.714   36.803
LGA    K     9_B      K     9_B     4.255     4    0.106   0.105     4.617   41.905   22.116
LGA    I    10_B      I    10_B     3.020     0    0.031   0.592     5.072   50.119   47.976
LGA    T    11_B      T    11_B     2.156     0    0.052   0.953     3.070   66.786   68.639
LGA    N    12_B      N    12_B     2.352     0    0.137   1.128     4.117   64.762   57.560
LGA    S    13_B      S    13_B     2.053     0    0.037   0.075     2.231   68.810   68.810
LGA    I    14_B      I    14_B     1.477     0    0.060   1.275     4.700   79.286   69.881
LGA    V    15_B      V    15_B     0.934     0    0.060   0.331     1.649   83.690   82.789
LGA    N    16_B      N    16_B     2.090     0    0.072   0.145     3.439   64.881   61.071
LGA    L    17_B      L    17_B     2.379     0    0.098   0.187     2.762   62.857   60.952
LGA    I    18_B      I    18_B     2.531     0    0.101   0.143     3.211   55.476   63.214
LGA    G    19_B      G    19_B     4.796     0    0.701   0.701     5.097   31.548   31.548
LGA    N    20_B      N    20_B     4.513     0    0.067   0.187     5.670   39.048   35.417
LGA    T    21_B      T    21_B     3.890     0    0.167   1.046     5.210   43.452   40.068
LGA    P    22_B      P    22_B     2.619     0    0.026   0.351     3.233   59.167   57.347
LGA    I    23_B      I    23_B     1.858     0    0.061   0.097     2.948   70.833   66.905
LGA    V    24_B      V    24_B     1.290     0    0.127   1.054     3.064   81.429   76.939
LGA    K    25_B      K    25_B     1.514     0    0.065   0.135     3.227   75.000   65.979
LGA    L    26_B      L    26_B     1.679     0    0.362   0.425     3.699   65.595   71.369
LGA    N    27_B      N    27_B     2.100     0    0.098   0.310     3.138   63.095   63.929
LGA    R    28_B      R    28_B     2.597     0    0.284   1.608     8.103   52.262   43.593
LGA    V    29_B      V    29_B     2.639     0    0.028   0.065     3.020   57.262   61.633
LGA    V    30_B      V    30_B     2.659     0    0.025   1.368     3.929   55.357   54.218
LGA    P    31_B      P    31_B     3.581     0    0.048   0.060     3.683   46.667   48.163
LGA    E    32_B      E    32_B     4.011     4    0.035   0.064     4.337   38.690   21.323
LGA    D    33_B      D    33_B     4.131     0    0.047   0.676     4.435   38.690   42.976
LGA    A    34_B      A    34_B     3.572     0    0.039   0.053     3.766   43.333   44.667
LGA    A    35_B      A    35_B     3.096     0    0.034   0.084     3.332   55.476   55.810
LGA    D    36_B      D    36_B     2.373     0    0.044   0.124     3.312   66.905   59.345
LGA    V    37_B      V    37_B     1.239     0    0.057   0.102     1.670   79.286   81.497
LGA    Y    38_B      Y    38_B     1.245     0    0.016   0.249     3.550   83.690   66.230
LGA    V    39_B      V    39_B     1.146     0    0.047   0.115     1.457   81.429   82.721
LGA    K    40_B      K    40_B     1.981     0    0.038   0.190     4.431   68.810   57.196
LGA    L    41_B      L    41_B     2.222     0    0.033   0.062     2.855   60.952   66.964
LGA    E    42_B      E    42_B     3.098     0    0.057   1.051     6.647   50.119   43.439
LGA    F    43_B      F    43_B     3.829     0    0.049   0.296     4.523   40.476   44.286
LGA    F    44_B      F    44_B     4.745     0    0.058   0.860    10.073   29.048   16.710
LGA    N    45_B      N    45_B     4.545     0    0.074   1.072     5.432   39.048   35.298
LGA    P    46_B      P    46_B     5.282     0    0.041   0.245     7.476   31.786   23.946
LGA    G    47_B      G    47_B     2.214     0    0.193   0.193     5.602   50.595   50.595
LGA    G    48_B      G    48_B     3.990     0    0.069   0.069     5.175   42.500   42.500
LGA    S    49_B      S    49_B     2.843     0    0.109   0.535     2.995   57.143   59.762
LGA    I    50_B      I    50_B     2.859     0    0.149   1.130     4.337   59.048   57.500
LGA    K    51_B      K    51_B     2.926     2    0.151   0.787     3.261   55.357   43.704
LGA    D    52_B      D    52_B     2.539     0    0.044   0.211     4.062   60.952   52.321
LGA    R    53_B      R    53_B     1.039     0    0.053   1.078     4.609   81.429   78.918
LGA    I    54_B      I    54_B     1.943     0    0.030   0.711     2.944   68.810   65.833
LGA    A    55_B      A    55_B     2.143     0    0.023   0.044     2.458   68.810   68.000
LGA    L    56_B      L    56_B     1.486     0    0.054   0.167     1.662   79.286   82.619
LGA    A    57_B      A    57_B     1.564     0    0.099   0.109     1.579   77.143   76.286
LGA    M    58_B      M    58_B     1.725     0    0.066   0.249     2.862   72.857   66.905
LGA    I    59_B      I    59_B     1.401     0    0.029   0.661     2.455   79.286   77.202
LGA    E    60_B      E    60_B     1.413     0    0.009   0.163     1.471   81.429   81.429
LGA    E    61_B      E    61_B     1.461     0    0.038   0.954     3.226   79.286   69.735
LGA    A    62_B      A    62_B     1.513     0    0.052   0.050     1.781   75.000   76.286
LGA    E    63_B      E    63_B     1.647     0    0.052   0.302     2.448   75.000   71.111
LGA    K    64_B      K    64_B     1.750     4    0.062   0.066     1.813   72.857   40.476
LGA    A    65_B      A    65_B     1.732     0    0.085   0.099     2.128   75.000   72.952
LGA    G    66_B      G    66_B     1.704     0    0.216   0.216     2.091   70.833   70.833
LGA    K    67_B      K    67_B     1.855     4    0.134   0.145     2.224   70.833   38.677
LGA    L    68_B      L    68_B     1.358     0    0.085   1.377     3.167   77.143   73.274
LGA    Q    69_B      Q    69_B     1.908     4    0.088   0.150     2.214   72.857   39.577
LGA    A    70_B      A    70_B     2.124     0    0.011   0.025     2.368   68.810   68.000
LGA    G    71_B      G    71_B     2.048     0    0.144   0.144     2.155   64.762   64.762
LGA    G    72_B      G    72_B     1.962     0    0.054   0.054     1.972   72.857   72.857
LGA    T    73_B      T    73_B     1.277     0    0.077   0.087     1.722   81.429   80.204
LGA    I    74_B      I    74_B     0.881     0    0.022   0.417     2.380   88.214   85.000
LGA    V    75_B      V    75_B     0.939     0    0.082   0.991     3.166   90.476   83.401
LGA    E    76_B      E    76_B     0.864     0    0.065   1.071     5.200   88.214   74.127
LGA    P    77_B      P    77_B     1.412     0    0.064   0.145     1.789   81.429   78.980
LGA    T    78_B      T    78_B     1.360     0    0.075   0.172     1.612   79.286   78.980
LGA    S    79_B      S    79_B     1.586     0    0.048   0.633     2.707   77.143   71.746
LGA    G    80_B      G    80_B     1.748     0    0.155   0.155     1.748   75.000   75.000
LGA    N    81_B      N    81_B     1.490     3    0.060   0.106     2.118   79.286   47.738
LGA    T    82_B      T    82_B     1.786     0    0.043   0.145     2.670   75.000   68.435
LGA    G    83_B      G    83_B     1.044     0    0.075   0.075     1.167   83.690   83.690
LGA    V    84_B      V    84_B     1.263     0    0.025   0.118     1.757   81.429   77.755
LGA    G    85_B      G    85_B     1.765     0    0.040   0.040     1.765   72.857   72.857
LGA    L    86_B      L    86_B     1.261     0    0.021   0.209     1.820   81.429   80.357
LGA    A    87_B      A    87_B     0.945     0    0.040   0.045     1.143   83.690   85.048
LGA    M    88_B      M    88_B     1.600     0    0.066   0.969     2.200   75.000   72.917
LGA    V    89_B      V    89_B     2.084     0    0.034   0.072     2.417   68.810   67.075
LGA    A    90_B      A    90_B     1.602     0    0.052   0.059     1.942   72.857   74.571
LGA    A    91_B      A    91_B     1.383     0    0.019   0.025     1.944   77.143   78.000
LGA    A    92_B      A    92_B     2.256     0    0.081   0.078     2.407   66.786   66.381
LGA    K    93_B      K    93_B     2.260     0    0.095   0.744     2.457   64.762   70.370
LGA    G    94_B      G    94_B     2.114     0    0.132   0.132     2.114   68.810   68.810
LGA    Y    95_B      Y    95_B     1.572     0    0.064   0.213     2.253   77.143   71.587
LGA    H    96_B      H    96_B     1.224     0    0.024   1.436     7.139   81.429   51.286
LGA    L    97_B      L    97_B     0.759     0    0.022   0.149     0.980   90.476   94.048
LGA    V    98_B      V    98_B     1.191     0    0.049   0.072     1.458   83.690   82.721
LGA    I    99_B      I    99_B     1.084     0    0.016   0.085     1.724   79.286   82.619
LGA    T   100_B      T   100_B     1.771     0    0.031   0.063     1.935   72.857   72.857
LGA    M   101_B      M   101_B     2.237     0    0.031   0.361     2.562   60.952   70.179
LGA    P   102_B      P   102_B     3.118     0    0.016   0.237     3.441   55.357   54.082
LGA    E   103_B      E   103_B     3.262     0    0.032   0.138     5.162   50.000   39.841
LGA    T   104_B      T   104_B     3.634     0    0.020   0.099     4.487   48.333   43.537
LGA    M   105_B      M   105_B     3.100     0    0.050   0.652     5.990   48.333   41.012
LGA    S   106_B      S   106_B     3.440     0    0.376   0.778     7.163   53.571   41.746
LGA    V   107_B      V   107_B     3.029     0    0.664   1.358     5.794   50.119   43.197
LGA    E   108_B      E   108_B     3.714     0    0.052   0.940     5.877   50.238   40.794
LGA    R   109_B      R   109_B     1.814     4    0.067   0.739     2.331   77.381   50.390
LGA    R   110_B      R   110_B     1.312     0    0.109   0.896     3.642   81.429   69.654
LGA    K   111_B      K   111_B     1.731     0    0.035   0.884     6.109   77.143   59.841
LGA    L   112_B      L   112_B     1.291     0    0.071   0.205     2.250   83.690   79.405
LGA    M   113_B      M   113_B     0.797     0    0.015   0.284     1.981   90.476   87.143
LGA    Q   114_B      Q   114_B     0.848     0    0.019   0.252     2.152   90.476   81.693
LGA    G   115_B      G   115_B     0.751     0    0.051   0.051     0.842   90.476   90.476
LGA    Y   116_B      Y   116_B     0.272     0    0.031   0.056     1.187  100.000   92.143
LGA    G   117_B      G   117_B     0.542     0    0.067   0.067     1.316   90.595   90.595
LGA    A   118_B      A   118_B     0.818     0    0.025   0.035     1.221   85.952   86.857
LGA    E   119_B      E   119_B     1.537     0    0.027   0.715     2.750   75.000   71.164
LGA    L   120_B      L   120_B     1.712     0    0.013   0.370     2.573   66.905   69.940
LGA    I   121_B      I   121_B     2.465     1    0.070   0.072     2.723   62.857   52.857
LGA    L   122_B      L   122_B     2.803     0    0.064   0.108     3.229   53.571   55.417
LGA    T   123_B      T   123_B     3.504     0    0.031   0.094     3.887   45.000   47.143
LGA    P   124_B      P   124_B     4.797     0    0.029   0.130     5.304   32.857   30.748
LGA    G   125_B      G   125_B     5.092     0    0.055   0.055     5.405   27.500   27.500
LGA    A   126_B      A   126_B     6.080     0    0.031   0.044     6.358   19.286   18.857
LGA    D   127_B      D   127_B     4.831     0    0.118   0.353     5.743   32.976   31.667
LGA    G   128_B      G   128_B     4.412     0    0.017   0.017     4.601   37.262   37.262
LGA    M   129_B      M   129_B     3.312     0    0.089   0.592     3.861   48.333   51.012
LGA    K   130_B      K   130_B     3.465     4    0.049   0.089     3.558   50.000   27.037
LGA    G   131_B      G   131_B     3.691     0    0.077   0.077     3.691   46.667   46.667
LGA    A   132_B      A   132_B     2.723     0    0.028   0.035     3.147   59.167   58.762
LGA    I   133_B      I   133_B     2.087     0    0.065   0.116     2.585   66.786   65.833
LGA    A   134_B      A   134_B     2.689     0    0.037   0.048     3.001   57.143   55.714
LGA    K   135_B      K   135_B     2.704     0    0.026   0.673     4.755   59.048   53.545
LGA    A   136_B      A   136_B     1.908     0    0.054   0.060     2.276   70.833   71.238
LGA    E   137_B      E   137_B     1.752     2    0.043   0.082     2.064   68.810   56.772
LGA    E   138_B      E   138_B     2.382     0    0.023   1.198     6.845   64.762   44.603
LGA    L   139_B      L   139_B     2.233     0    0.022   0.138     2.861   64.762   62.857
LGA    V   140_B      V   140_B     1.953     0    0.178   0.214     2.180   66.786   69.388
LGA    K   141_B      K   141_B     2.402     4    0.074   0.086     2.682   62.857   34.286
LGA    E   142_B      E   142_B     2.146     4    0.072   0.122     2.322   68.810   37.778
LGA    K   143_B      K   143_B     1.759     4    0.680   0.626     4.003   63.929   37.460
LGA    G   144_B      G   144_B     1.097     0    0.231   0.231     1.913   79.286   79.286
LGA    Y   145_B      Y   145_B     1.073     0    0.066   0.098     1.724   88.214   80.833
LGA    F   146_B      F   146_B     1.100     0    0.079   0.105     1.366   83.690   82.251
LGA    M   147_B      M   147_B     0.881     0    0.086   0.122     1.447   85.952   84.821
LGA    P   148_B      P   148_B     1.390     0    0.254   0.315     3.046   69.405   73.333
LGA    M   149_B      M   149_B     3.151     3    0.249   0.293     4.103   63.095   36.190
LGA    Q   150_B      Q   150_B     3.132     4    0.661   0.610     5.169   50.119   25.185
LGA    F   151_B      F   151_B     3.227     0    0.050   1.281    12.073   59.167   25.281
LGA    D   152_B      D   152_B     3.962     3    0.168   0.177     5.684   38.333   21.845
LGA    N   153_B      N   153_B     6.992     3    0.133   0.168     8.127   17.500    9.345
LGA    P   154_B      P   154_B     7.466     0    0.245   0.241     9.743    6.190    4.694
LGA    A   155_B      A   155_B    12.161     0    0.549   0.558    14.159    0.000    0.000
LGA    H   160_B      H   160_B    11.915     5    0.608   0.602    12.775    0.000    0.000
LGA    E   161_B      E   161_B     8.367     0    0.144   0.785     9.455    5.119    6.402
LGA    E   162_B      E   162_B     6.881     0    0.150   0.811     8.401   11.667    8.783
LGA    T   163_B      T   163_B     8.466     0    0.159   0.230     9.846    3.810    2.857
LGA    T   164_B      T   164_B     9.550     0    0.067   0.093    11.002    1.905    1.088
LGA    G   165_B      G   165_B     6.928     0    0.027   0.027     7.745   11.786   11.786
LGA    K   166_B      K   166_B     6.854     4    0.054   0.068     7.671   10.238    6.032
LGA    E   167_B      E   167_B     9.195     0    0.048   0.883     9.962    2.024    1.640
LGA    I   168_B      I   168_B     9.323     0    0.030   0.099     9.911    1.786    1.369
LGA    L   169_B      L   169_B     7.758     0    0.029   1.160     8.764    4.881   11.310
LGA    E   170_B      E   170_B     9.577     0    0.014   0.815    10.900    0.833    0.582
LGA    A   171_B      A   171_B    11.127     0    0.094   0.097    11.891    0.000    0.000
LGA    F   172_B      F   172_B    10.221     0    0.041   0.234    10.378    0.000    0.649
LGA    G   173_B      G   173_B    11.022     0    0.660   0.660    11.022    0.357    0.357
LGA    D   174_B      D   174_B    11.281     0    0.144   0.244    14.570    0.119    0.060
LGA    D   175_B      D   175_B     9.395     0    0.252   0.846    10.442    2.262    1.190
LGA    I   176_B      I   176_B     5.303     0    0.161   1.147     6.671   25.595   24.286
LGA    P   177_B      P   177_B     3.395     0    0.079   0.412     4.151   48.571   47.415
LGA    D   178_B      D   178_B     2.861     0    0.025   0.215     4.698   59.167   50.595
LGA    A   179_B      A   179_B     1.878     0    0.024   0.038     2.299   70.833   71.238
LGA    F   180_B      F   180_B     1.470     0    0.013   0.113     2.141   79.286   73.723
LGA    V   181_B      V   181_B     0.923     0    0.026   0.063     1.143   83.690   86.599
LGA    A   182_B      A   182_B     1.354     0    0.019   0.026     1.557   79.286   78.000
LGA    G   183_B      G   183_B     1.658     0    0.080   0.080     1.658   75.000   75.000
LGA    V   184_B      V   184_B     1.916     0    0.361   1.144     3.276   65.119   65.170
LGA    G   185_B      G   185_B     3.403     0    0.258   0.258     4.775   43.929   43.929
LGA    T   186_B      T   186_B     4.901     0    0.084   0.134     6.696   31.548   26.054
LGA    G   187_B      G   187_B     3.075     0    0.089   0.089     3.578   50.119   50.119
LGA    G   188_B      G   188_B     4.153     0    0.140   0.140     4.153   40.238   40.238
LGA    T   189_B      T   189_B     3.603     0    0.033   0.127     4.209   46.667   43.469
LGA    L   190_B      L   190_B     2.305     0    0.017   1.336     2.631   62.857   68.036
LGA    T   191_B      T   191_B     2.380     0    0.042   0.116     2.867   60.952   60.408
LGA    G   192_B      G   192_B     3.104     0    0.033   0.033     3.104   53.571   53.571
LGA    V   193_B      V   193_B     2.902     0    0.050   0.129     3.147   57.143   56.122
LGA    G   194_B      G   194_B     2.234     0    0.077   0.077     2.350   64.762   64.762
LGA    H   195_B      H   195_B     2.717     0    0.025   1.147     4.146   57.262   58.381
LGA    A   196_B      A   196_B     3.459     0    0.012   0.044     3.803   48.333   47.333
LGA    L   197_B      L   197_B     3.077     0    0.027   0.077     3.352   51.786   53.571
LGA    K   198_B      K   198_B     2.687     0    0.035   0.667     4.006   57.143   56.667
LGA    K   199_B      K   199_B     3.371     2    0.053   0.214     3.496   50.000   38.889
LGA    A   200_B      A   200_B     3.265     0    0.040   0.054     3.489   50.000   50.000
LGA    N   201_B      N   201_B     3.088     0    0.039   0.385     4.542   51.786   47.738
LGA    P   202_B      P   202_B     2.645     0    0.103   0.117     3.126   57.143   56.122
LGA    N   203_B      N   203_B     2.514     0    0.055   1.115     3.981   60.952   56.429
LGA    V   204_B      V   204_B     2.376     0    0.033   0.998     3.996   70.952   61.088
LGA    Q   205_B      Q   205_B     1.648     0    0.021   0.393     3.433   77.143   71.323
LGA    I   206_B      I   206_B     1.419     0    0.031   0.070     2.047   81.429   76.131
LGA    Y   207_B      Y   207_B     1.010     0    0.049   0.100     1.628   81.429   85.238
LGA    A   208_B      A   208_B     1.490     0    0.069   0.065     1.662   81.429   79.714
LGA    L   209_B      L   209_B     1.903     0    0.037   0.295     2.984   68.810   67.857
LGA    E   210_B      E   210_B     2.697     0    0.077   0.321     2.818   59.048   61.429
LGA    P   211_B      P   211_B     3.067     0    0.059   0.078     3.323   51.786   51.020
LGA    A   212_B      A   212_B     3.391     0    0.570   0.516     3.695   46.667   47.333
LGA    P   236_B      P   236_B    14.808     0    0.494   0.737    15.750    0.000    0.000
LGA    K   237_B      K   237_B    15.142     0    0.501   1.010    18.366    0.000    0.000
LGA    V   238_B      V   238_B    14.626     0    0.600   0.931    17.048    0.000    0.000
LGA    L   239_B      L   239_B     8.582     0    0.141   1.430    10.791    2.619    8.750
LGA    D   240_B      D   240_B     6.663     0    0.030   0.096     7.699   20.238   16.607
LGA    T   241_B      T   241_B     3.455     0    0.116   0.173     5.205   54.762   44.830
LGA    D   242_B      D   242_B     2.383     0    0.218   0.178     3.859   62.857   56.488
LGA    V   243_B      V   243_B     1.619     0    0.060   0.119     1.920   77.143   79.048
LGA    Y   244_B      Y   244_B     1.244     0    0.077   0.495     2.660   81.429   73.175
LGA    N   245_B      N   245_B     1.034     0    0.049   0.316     1.725   81.429   80.357
LGA    G   246_B      G   246_B     1.132     0    0.105   0.105     1.132   88.214   88.214
LGA    I   247_B      I   247_B     0.861     0    0.040   0.084     1.137   90.476   88.214
LGA    L   248_B      L   248_B     1.080     0    0.032   0.110     1.703   81.548   81.488
LGA    E   249_B      E   249_B     1.921     0    0.177   0.236     2.880   69.048   68.519
LGA    I   250_B      I   250_B     2.928     0    0.049   0.125     3.384   53.571   57.262
LGA    K   251_B      K   251_B     4.107     2    0.046   0.108     4.798   38.690   28.942
LGA    S   252_B      S   252_B     4.811     0    0.010   0.582     5.857   31.429   28.889
LGA    D   253_B      D   253_B     5.309     0    0.079   0.966     8.641   28.810   19.286
LGA    D   254_B      D   254_B     4.257     0    0.036   0.706     5.952   38.810   35.298
LGA    A   255_B      A   255_B     3.662     0    0.065   0.091     3.975   43.333   43.333
LGA    I   256_B      I   256_B     4.859     0    0.025   0.092     5.977   32.857   28.333
LGA    T   257_B      T   257_B     4.835     0    0.045   0.120     5.366   34.286   31.565
LGA    M   258_B      M   258_B     3.537     0    0.033   0.867     4.031   45.119   47.619
LGA    A   259_B      A   259_B     3.588     0    0.053   0.057     3.835   43.333   43.333
LGA    R   260_B      R   260_B     4.224     0    0.013   1.247     9.998   40.238   23.853
LGA    E   261_B      E   261_B     3.654     0    0.025   0.900     3.883   46.667   49.365
LGA    V   262_B      V   262_B     2.293     0    0.008   0.062     2.787   62.857   64.830
LGA    G   263_B      G   263_B     2.944     0    0.104   0.104     2.972   57.143   57.143
LGA    H   264_B      H   264_B     3.320     0    0.130   0.838     5.140   53.571   43.381
LGA    Q   265_B      Q   265_B     2.705     0    0.040   1.372     5.219   60.952   53.915
LGA    E   266_B      E   266_B     1.552     0    0.073   0.320     1.944   77.143   77.619
LGA    G   267_B      G   267_B     1.730     0    0.063   0.063     1.799   72.857   72.857
LGA    I   268_B      I   268_B     1.724     0    0.034   0.164     2.552   66.905   74.226
LGA    L   269_B      L   269_B     3.183     0    0.063   1.342     5.860   51.786   47.500
LGA    V   270_B      V   270_B     3.140     0    0.026   0.109     3.656   46.667   52.245
LGA    G   271_B      G   271_B     3.942     0    0.046   0.046     3.942   45.000   45.000
LGA    I   272_B      I   272_B     4.180     0    0.045   0.203     5.351   40.238   35.238
LGA    S   273_B      S   273_B     3.600     0    0.038   0.088     3.915   48.452   46.746
LGA    A   274_B      A   274_B     2.758     0    0.025   0.049     3.054   57.262   57.238
LGA    G   275_B      G   275_B     2.939     0    0.033   0.033     2.939   57.143   57.143
LGA    A   276_B      A   276_B     2.944     0    0.032   0.054     3.257   57.262   55.810
LGA    N   277_B      N   277_B     2.134     0    0.011   0.061     2.443   68.810   66.786
LGA    I   278_B      I   278_B     1.795     0    0.046   0.091     1.980   72.857   72.857
LGA    K   279_B      K   279_B     2.395     0    0.040   0.120     3.531   64.762   57.407
LGA    G   280_B      G   280_B     1.842     0    0.055   0.055     2.069   75.119   75.119
LGA    A   281_B      A   281_B     0.929     0    0.022   0.039     1.307   83.690   85.048
LGA    I   282_B      I   282_B     1.944     0    0.018   0.092     2.505   66.905   65.833
LGA    E   283_B      E   283_B     2.375     0    0.082   0.858     2.643   62.857   64.868
LGA    V   284_B      V   284_B     1.780     0    0.026   0.056     2.257   68.810   74.218
LGA    A   285_B      A   285_B     2.164     0    0.022   0.046     2.941   62.976   63.333
LGA    K   286_B      K   286_B     3.143     0    0.023   0.678     5.370   50.119   45.979
LGA    K   287_B      K   287_B     3.355     2    0.094   0.148     3.749   48.333   38.942
LGA    L   288_B      L   288_B     3.295     0    0.016   0.154     3.987   46.667   51.012
LGA    G   289_B      G   289_B     3.754     0    0.057   0.057     3.912   43.333   43.333
LGA    K   290_B      K   290_B     4.341     2    0.661   0.984     4.786   35.714   28.413
LGA    G   291_B      G   291_B     5.279     0    0.024   0.024     5.279   28.810   28.810
LGA    K   292_B      K   292_B     3.871     0    0.057   0.542     4.748   41.786   40.688
LGA    Q   293_B      Q   293_B     3.004     0    0.054   1.198     5.984   53.571   41.640
LGA    V   294_B      V   294_B     1.721     0    0.049   0.077     2.031   72.976   75.374
LGA    I   295_B      I   295_B     1.593     0    0.048   1.127     3.965   77.143   72.440
LGA    T   296_B      T   296_B     1.222     0    0.022   0.100     1.610   77.143   80.272
LGA    V   297_B      V   297_B     2.179     0    0.037   1.079     4.459   66.786   64.354
LGA    A   298_B      A   298_B     2.581     0    0.078   0.098     2.865   59.048   60.190
LGA    P   299_B      P   299_B     3.848     0    0.088   0.221     4.387   41.905   43.537
LGA    D   300_B      D   300_B     4.489     0    0.078   0.206     4.712   38.690   37.262
LGA    G   301_B      G   301_B     4.728     0    0.052   0.052     5.135   30.119   30.119
LGA    G   302_B      G   302_B     5.002     0    0.034   0.034     5.638   26.310   26.310
LGA    D   303_B      D   303_B     5.720     0    0.197   0.772     7.032   17.500   22.917
LGA    R   304_B      R   304_B     6.275     6    0.048   0.056     6.610   17.262    7.835
LGA    Y   305_B      Y   305_B     6.295     0    0.045   0.213     6.501   16.190   21.270
LGA    L   306_B      L   306_B     6.650     0    0.038   0.118     7.091   11.667   12.976
LGA    S   307_B      S   307_B     7.874     0    0.157   0.689     8.809    6.190    5.714
LGA    T   308_B      T   308_B     7.865     0    0.042   0.150     7.865    7.857    7.959
LGA    E   309_B      E   309_B     7.886     3    0.132   0.692     9.179    8.571    4.497
LGA    L   310_B      L   310_B     6.233     0    0.053   0.156     6.956   17.262   21.786
LGA    F   311_B      F   311_B     6.175     0    0.367   0.463     6.636   16.190   21.818
LGA    N   312_B      N   312_B     8.370     0    0.608   1.254    13.925    8.810    4.405
LGA    Y   313_B      Y   313_B     7.869     0    0.491   0.332    13.986    5.476    2.143

# 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):     4.076          4.052                  4.350           54.897   51.564

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  306  281    4.0    220    2.44    63.790    58.779     8.673

LGA_LOCAL      RMSD:   2.437  Number of atoms:  220  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   4.173  Number of assigned atoms:  279 
Std_ASGN_ATOMS RMSD:   4.076  Standard rmsd on all 279 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.247750 * X  +  -0.957840 * Y  +   0.145474 * Z  +   8.608724
  Y_new =   0.464976 * X  +   0.249288 * Y  +   0.849502 * Z  +   0.953715
  Z_new =  -0.849951 * X  +  -0.142822 * Y  +   0.507134 * Z  +   4.412416 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.081236  1.015893 -0.274517   [DEG:   61.9503   58.2064  -15.7286 ]
ZXZ:  2.971992  1.038941 -1.737277   [DEG:  170.2826   59.5269  -99.5386 ]
 
# END of job
