
#######################################################
#                                                     #
#                        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  313 ( 2327),  selected  281 , name one
# Molecule2: number of CA atoms  281 ( 1997),  selected  281 , 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:   281       6_B - 313_B       3.99     3.99
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   121      31_B - 151_B       1.98     4.35
  LONGEST_CONTINUOUS_SEGMENT:   121      32_B - 152_B       1.99     4.36
  LCS_AVERAGE:     34.69

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    97      52_B - 148_B       0.98     5.21
  LONGEST_CONTINUOUS_SEGMENT:    97      53_B - 149_B       1.00     5.20
  LCS_AVERAGE:     22.64

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  281
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     H     6_B     H     6_B      3   17  281      3   27   82  114  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     H     7_B     H     7_B     14   17  281     15   32   82  107  123  141  157  184  211  229  246  252  257  260  264  269  272  275  276  276 
LCS_GDT     T     8_B     T     8_B     14   17  281     41   72   98  111  132  151  179  209  235  244  249  252  260  263  269  271  273  275  276  276 
LCS_GDT     K     9_B     K     9_B     14   17  281     44   72   98  116  133  153  184  218  237  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     I    10_B     I    10_B     14   17  281     21   72   98  116  134  159  189  226  239  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     T    11_B     T    11_B     14   17  281     10   64   98  119  143  172  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     N    12_B     N    12_B     14   17  281     10   14   96  118  142  171  208  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     S    13_B     S    13_B     14   32  281     10   14   98  119  149  183  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     I    14_B     I    14_B     14   33  281     10   74   98  119  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     V    15_B     V    15_B     14   33  281     36   74   98  119  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     N    16_B     N    16_B     14   33  281     47   74   98  119  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     L    17_B     L    17_B     14   52  281     10   74   98  119  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     I    18_B     I    18_B     29   52  281     11   75  113  124  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     G    19_B     G    19_B     29   52  281      5   23  117  127  133  145  206  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     N    20_B     N    20_B     29   52  281      3   98  117  127  133  143  207  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     T    21_B     T    21_B     29   52  281     77  100  117  127  144  183  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     P    22_B     P    22_B     29   52  281     70  100  117  127  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     I    23_B     I    23_B     29   52  281     67  100  117  127  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     V    24_B     V    24_B     29   52  281     77  100  117  127  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     K    25_B     K    25_B     29   52  281     77  100  117  127  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     L    26_B     L    26_B     29   52  281     77  100  117  127  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     N    27_B     N    27_B     29   52  281     77  100  117  127  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     R    28_B     R    28_B     29   52  281     77  100  117  127  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     V    29_B     V    29_B     29   52  281     77  100  117  127  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     V    30_B     V    30_B     29  120  281     77  100  117  127  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     P    31_B     P    31_B     29  121  281     62  100  117  127  140  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     E    32_B     E    32_B     29  121  281     74  100  117  127  133  156  206  227  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     D    33_B     D    33_B     29  121  281     36  100  117  127  144  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     A    34_B     A    34_B     29  121  281     77  100  117  127  147  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     A    35_B     A    35_B     29  121  281     77  100  117  127  148  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     D    36_B     D    36_B     29  121  281     77  100  117  127  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     V    37_B     V    37_B     29  121  281     77  100  117  127  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     Y    38_B     Y    38_B     29  121  281     77  100  117  127  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     V    39_B     V    39_B     29  121  281     77  100  117  127  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     K    40_B     K    40_B     29  121  281     77  100  117  127  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     L    41_B     L    41_B     29  121  281     77  100  117  127  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     E    42_B     E    42_B     29  121  281     77  100  117  127  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     F    43_B     F    43_B     29  121  281     51  100  117  127  144  183  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     F    44_B     F    44_B     29  121  281     19   95  114  127  134  154  191  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     N    45_B     N    45_B     29  121  281     25   93  114  127  133  146  191  223  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     P    46_B     P    46_B     29  121  281     10   18   72  124  133  138  151  186  233  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     G    47_B     G    47_B     33  121  281     12   62   92  112  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     G    48_B     G    48_B     33  121  281      4    9   23   69   92  159  207  226  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     S    49_B     S    49_B     33  121  281      4   25   58   90  123  183  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     I    50_B     I    50_B     33  121  281      3   25   57   90  115  183  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     K    51_B     K    51_B     33  121  281      7   22   72   94  123  173  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     D    52_B     D    52_B     97  121  281     16   74   96  115  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     R    53_B     R    53_B     97  121  281     13   72   97  119  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     I    54_B     I    54_B     97  121  281      7   40   81  115  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     A    55_B     A    55_B     97  121  281      7   48   87  112  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     L    56_B     L    56_B     97  121  281     46   74   98  119  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     A    57_B     A    57_B     97  121  281     30   74   98  119  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     M    58_B     M    58_B     97  121  281     23   74   98  119  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     I    59_B     I    59_B     97  121  281     46   74   98  119  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     E    60_B     E    60_B     97  121  281     49   74   98  119  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     E    61_B     E    61_B     97  121  281     31   74   98  119  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     A    62_B     A    62_B     97  121  281     49   74   98  119  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     E    63_B     E    63_B     97  121  281     49   74   98  119  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     K    64_B     K    64_B     97  121  281     38   74   98  119  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     A    65_B     A    65_B     97  121  281     49   74   98  119  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     G    66_B     G    66_B     97  121  281     49   74   98  119  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     K    67_B     K    67_B     97  121  281     49   74   98  119  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     L    68_B     L    68_B     97  121  281     49   74   98  119  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     Q    69_B     Q    69_B     97  121  281     49   74   98  119  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     A    70_B     A    70_B     97  121  281     49   74   98  119  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     G    71_B     G    71_B     97  121  281     49   74   98  119  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     G    72_B     G    72_B     97  121  281     49   74   98  119  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     T    73_B     T    73_B     97  121  281     49   74   98  119  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     I    74_B     I    74_B     97  121  281     49   74   98  119  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     V    75_B     V    75_B     97  121  281     49   74   98  119  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     E    76_B     E    76_B     97  121  281     49   74   98  119  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     P    77_B     P    77_B     97  121  281     49   74   98  119  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     T    78_B     T    78_B     97  121  281     49   74   98  119  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     S    79_B     S    79_B     97  121  281     31   74   98  119  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     G    80_B     G    80_B     97  121  281      8   39   90  119  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     N    81_B     N    81_B     97  121  281     18   55  105  124  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     T    82_B     T    82_B     97  121  281     21   53  103  124  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     G    83_B     G    83_B     97  121  281     27   68   98  119  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     V    84_B     V    84_B     97  121  281     27   71   98  119  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     G    85_B     G    85_B     97  121  281     27   68   98  119  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     L    86_B     L    86_B     97  121  281     27   68   98  119  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     A    87_B     A    87_B     97  121  281     45   74   98  119  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     M    88_B     M    88_B     97  121  281     45   74   98  119  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     V    89_B     V    89_B     97  121  281     21   72   98  119  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     A    90_B     A    90_B     97  121  281     29   74   98  119  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     A    91_B     A    91_B     97  121  281     46   74   98  119  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     A    92_B     A    92_B     97  121  281     29   74   98  119  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     K    93_B     K    93_B     97  121  281     29   73   98  119  148  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     G    94_B     G    94_B     97  121  281     44   74   98  119  149  183  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     Y    95_B     Y    95_B     97  121  281     47   74   98  119  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     H    96_B     H    96_B     97  121  281     47   74   98  119  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     L    97_B     L    97_B     97  121  281     49   74   98  119  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     V    98_B     V    98_B     97  121  281     49   74   98  119  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     I    99_B     I    99_B     97  121  281     49   74   98  119  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     T   100_B     T   100_B     97  121  281     49   74   98  119  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     M   101_B     M   101_B     97  121  281     49   74   98  119  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     P   102_B     P   102_B     97  121  281     49   74   98  119  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     E   103_B     E   103_B     97  121  281     47   74   98  119  148  180  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     T   104_B     T   104_B     97  121  281     47   74   98  119  146  180  209  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     M   105_B     M   105_B     97  121  281      3   72   98  119  144  180  210  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     S   106_B     S   106_B     97  121  281      3   14   82  113  144  173  206  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     V   107_B     V   107_B     97  121  281      3   28   90  111  139  172  203  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     E   108_B     E   108_B     97  121  281      3    6   50  106  129  149  190  222  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     R   109_B     R   109_B     97  121  281      8   64   98  119  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     R   110_B     R   110_B     97  121  281     49   74   98  119  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     K   111_B     K   111_B     97  121  281     42   74   98  119  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     L   112_B     L   112_B     97  121  281     46   74   98  119  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     M   113_B     M   113_B     97  121  281     47   74   98  119  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     Q   114_B     Q   114_B     97  121  281     49   74   98  119  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     G   115_B     G   115_B     97  121  281     47   74   98  119  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     Y   116_B     Y   116_B     97  121  281     49   74   98  119  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     G   117_B     G   117_B     97  121  281     49   74   98  119  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     A   118_B     A   118_B     97  121  281     49   74   98  119  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     E   119_B     E   119_B     97  121  281     49   74   98  119  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     L   120_B     L   120_B     97  121  281     49   74   98  119  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     I   121_B     I   121_B     97  121  281     49   74   98  119  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     L   122_B     L   122_B     97  121  281     49   74   98  119  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     T   123_B     T   123_B     97  121  281     47   74   98  119  148  180  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     P   124_B     P   124_B     97  121  281     47   74   98  119  146  178  206  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     G   125_B     G   125_B     97  121  281     45   73   98  119  144  176  206  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     A   126_B     A   126_B     97  121  281     10   72   98  119  141  165  195  218  237  244  249  252  258  263  269  271  273  275  276  276 
LCS_GDT     D   127_B     D   127_B     97  121  281     47   74   98  119  146  180  208  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     G   128_B     G   128_B     97  121  281     49   74   98  119  148  180  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     M   129_B     M   129_B     97  121  281     49   74   98  119  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     K   130_B     K   130_B     97  121  281     49   74   98  119  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     G   131_B     G   131_B     97  121  281     49   74   98  119  149  183  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     A   132_B     A   132_B     97  121  281     49   74   98  119  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     I   133_B     I   133_B     97  121  281     49   74   98  119  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     A   134_B     A   134_B     97  121  281     49   74   98  119  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     K   135_B     K   135_B     97  121  281     49   74   98  119  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     A   136_B     A   136_B     97  121  281     49   74   98  119  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     E   137_B     E   137_B     97  121  281     49   74   98  119  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     E   138_B     E   138_B     97  121  281     49   74   98  119  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     L   139_B     L   139_B     97  121  281     49   74   98  119  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     V   140_B     V   140_B     97  121  281     49   74   98  119  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     K   141_B     K   141_B     97  121  281     49   74   98  119  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     E   142_B     E   142_B     97  121  281     37   74   98  119  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     K   143_B     K   143_B     97  121  281     27   73   98  119  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     G   144_B     G   144_B     97  121  281     21   74   98  119  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     Y   145_B     Y   145_B     97  121  281     38   74   98  119  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     F   146_B     F   146_B     97  121  281     49   74   98  119  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     M   147_B     M   147_B     97  121  281     49   74   98  119  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     P   148_B     P   148_B     97  121  281     49   74   98  119  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     M   149_B     M   149_B     97  121  281      5   25   73  111  144  180  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     Q   150_B     Q   150_B     96  121  281      8   61   87  108  148  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     F   151_B     F   151_B     70  121  281      3    6   55  105  148  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     D   152_B     D   152_B      6  121  281      5   35   53   77   91  140  195  227  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     N   153_B     N   153_B      6  120  281      4    6   31   50   71   99  132  147  189  232  243  253  260  263  269  271  273  275  276  276 
LCS_GDT     P   154_B     P   154_B      6  119  281      4   16   34   48   58   92  105  136  186  211  234  250  259  263  269  271  273  275  276  276 
LCS_GDT     A   155_B     A   155_B      6  109  281      4    6    7    9   10   12   27   33   71   86   98  117  150  179  209  242  256  271  275  276 
LCS_GDT     H   160_B     H   160_B      4   18  281      3    4    4    6   17   20   25   27   33   45   53   86  111  148  235  257  263  269  272  275 
LCS_GDT     E   161_B     E   161_B      4   18  281      3    4    7   16   22   29   63  110  166  200  221  242  254  263  269  271  273  275  276  276 
LCS_GDT     E   162_B     E   162_B     12   18  281      3    6   17   33   61   79  110  140  191  233  242  251  260  263  269  271  273  275  276  276 
LCS_GDT     T   163_B     T   163_B     12   18  281      8   11   14   18   28   53   80  114  154  196  216  239  253  263  269  271  273  275  276  276 
LCS_GDT     T   164_B     T   164_B     12   18  281      9   11   14   18   22   27   40   70  106  166  208  228  244  255  267  271  273  275  276  276 
LCS_GDT     G   165_B     G   165_B     12   18  281      9   11   14   18   35   55   95  142  191  216  236  251  258  263  269  271  273  275  276  276 
LCS_GDT     K   166_B     K   166_B     12   18  281      9   11   14   33   53   83  128  174  204  237  246  253  260  263  269  271  273  275  276  276 
LCS_GDT     E   167_B     E   167_B     12   18  281      9   11   26   46   54   73   98  139  147  172  205  236  254  263  269  271  273  275  276  276 
LCS_GDT     I   168_B     I   168_B     12   45  281      9   11   14   22   48   67  103  135  146  153  177  229  248  263  269  271  273  275  276  276 
LCS_GDT     L   169_B     L   169_B     12   45  281      9   16   44   97  126  138  142  147  160  209  234  251  260  263  269  271  273  275  276  276 
LCS_GDT     E   170_B     E   170_B     12   45  281      9   16   44   94  122  138  141  144  151  163  185  231  251  263  269  271  273  275  276  276 
LCS_GDT     A   171_B     A   171_B     12   45  281      9   11   15   33   66  100  122  139  145  151  156  172  202  224  258  266  272  275  276  276 
LCS_GDT     F   172_B     F   172_B     12   45  281      9   11   14   22   66  100  124  140  145  151  159  182  238  251  263  271  273  275  276  276 
LCS_GDT     G   173_B     G   173_B     12   45  281      6   11   17   38   50   87  112  136  145  151  155  168  202  251  258  266  273  275  276  276 
LCS_GDT     D   174_B     D   174_B      4   45  281      4    7   14   33   50   78  105  136  143  151  155  168  177  199  240  261  270  275  276  276 
LCS_GDT     D   175_B     D   175_B      4   45  281      4    7   17   38   61  102  129  142  146  152  175  215  247  258  268  271  273  275  276  276 
LCS_GDT     I   176_B     I   176_B     37   45  281      9   87  111  127  133  138  155  215  238  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     P   177_B     P   177_B     37   45  281     76  100  117  127  137  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     D   178_B     D   178_B     37   45  281     77  100  117  127  148  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     A   179_B     A   179_B     37   45  281     77  100  117  127  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     F   180_B     F   180_B     37   45  281     77  100  117  127  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     V   181_B     V   181_B     37   45  281     77  100  117  127  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     A   182_B     A   182_B     37   45  281     77  100  117  127  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     G   183_B     G   183_B     37   45  281     22   91  117  127  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     V   184_B     V   184_B     37   45  281     22   91  114  127  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     G   185_B     G   185_B     37   45  281     27   66  103  124  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     T   186_B     T   186_B     37   45  281      5   24   56  106  130  138  165  211  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     G   187_B     G   187_B     37   45  281      5   53  106  127  138  180  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     G   188_B     G   188_B     37   45  281      8   36   78  113  130  144  195  225  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     T   189_B     T   189_B     37   45  281      5   36   54  111  131  173  209  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     L   190_B     L   190_B     37  100  281     18   55  117  127  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     T   191_B     T   191_B     37  100  281     17   73  117  127  148  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     G   192_B     G   192_B     37  100  281     18   57  105  127  142  183  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     V   193_B     V   193_B     37  100  281     17   70  117  127  148  183  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     G   194_B     G   194_B     37  100  281     18   98  117  127  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     H   195_B     H   195_B     37  100  281     18   91  117  127  148  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     A   196_B     A   196_B     37  100  281     19   98  117  127  141  183  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     L   197_B     L   197_B     37  100  281     61  100  117  127  148  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     K   198_B     K   198_B     37  100  281     29   98  117  127  148  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     K   199_B     K   199_B     37  100  281     17   98  117  127  148  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     A   200_B     A   200_B     37  100  281     25   98  117  127  148  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     N   201_B     N   201_B     37  100  281     22   98  117  127  148  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     P   202_B     P   202_B     37  100  281     17   98  117  127  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     N   203_B     N   203_B     37  100  281     43  100  117  127  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     V   204_B     V   204_B     37  100  281     74  100  117  127  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     Q   205_B     Q   205_B     37  100  281     77  100  117  127  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     I   206_B     I   206_B     37  100  281     77  100  117  127  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     Y   207_B     Y   207_B     37  100  281     77  100  117  127  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     A   208_B     A   208_B     37  100  281     77  100  117  127  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     L   209_B     L   209_B     37  100  281     62  100  117  127  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     E   210_B     E   210_B     37  100  281     61  100  117  127  148  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     P   211_B     P   211_B     37  100  281     59   93  117  127  140  183  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     A   212_B     A   212_B     37  100  281     26   87  113  127  140  183  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     P   236_B     P   236_B      3  100  281      0    3    3    7   10   25   34   63   94  138  149  151  155  164  177  189  199  239  266  272 
LCS_GDT     K   237_B     K   237_B      3  100  281      0    3    3    3    4    8   66   85   97  113  123  146  153  164  179  192  228  239  246  272 
LCS_GDT     V   238_B     V   238_B      5  100  281      3    5    6   10   16   37   48   77   89  103  115  146  153  161  173  188  195  209  238  272 
LCS_GDT     L   239_B     L   239_B      5  100  281      5    7   15   33   66  116  139  142  151  163  192  204  254  262  269  271  273  275  276  276 
LCS_GDT     D   240_B     D   240_B     74  100  281      5   11   73  102  129  138  142  172  191  232  242  253  260  263  269  271  273  275  276  276 
LCS_GDT     T   241_B     T   241_B     74  100  281     18   53  111  127  140  178  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     D   242_B     D   242_B     74  100  281     63  100  117  127  148  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     V   243_B     V   243_B     74  100  281     19   98  117  127  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     Y   244_B     Y   244_B     74  100  281     58  100  117  127  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     N   245_B     N   245_B     74  100  281     39  100  117  127  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     G   246_B     G   246_B     74  100  281     58  100  117  127  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     I   247_B     I   247_B     74  100  281     77  100  117  127  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     L   248_B     L   248_B     74  100  281     77  100  117  127  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     E   249_B     E   249_B     74  100  281     69  100  117  127  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     I   250_B     I   250_B     74  100  281     77  100  117  127  147  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     K   251_B     K   251_B     74  100  281     77  100  117  127  133  176  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     S   252_B     S   252_B     74  100  281     77  100  117  127  133  170  207  227  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     D   253_B     D   253_B     74  100  281     77  100  117  127  133  170  201  227  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     D   254_B     D   254_B     74  100  281     77  100  117  127  133  176  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     A   255_B     A   255_B     74  100  281     77  100  117  127  141  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     I   256_B     I   256_B     74  100  281     77  100  117  127  133  170  207  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     T   257_B     T   257_B     74  100  281     77  100  117  127  133  170  207  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     M   258_B     M   258_B     74  100  281     77  100  117  127  147  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     A   259_B     A   259_B     74  100  281     77  100  117  127  144  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     R   260_B     R   260_B     74  100  281     77  100  117  127  133  176  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     E   261_B     E   261_B     74  100  281     77  100  117  127  141  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     V   262_B     V   262_B     74  100  281     77  100  117  127  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     G   263_B     G   263_B     74  100  281     77  100  117  127  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     H   264_B     H   264_B     74  100  281     77  100  117  127  141  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     Q   265_B     Q   265_B     74  100  281     77  100  117  127  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     E   266_B     E   266_B     74  100  281     77  100  117  127  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     G   267_B     G   267_B     74  100  281     77  100  117  127  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     I   268_B     I   268_B     74  100  281     77  100  117  127  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     L   269_B     L   269_B     74  100  281     77  100  117  127  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     V   270_B     V   270_B     74  100  281     77  100  117  127  148  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     G   271_B     G   271_B     74  100  281     74  100  117  127  133  170  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     I   272_B     I   272_B     74  100  281     77  100  117  127  133  170  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     S   273_B     S   273_B     74  100  281     77  100  117  127  141  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     A   274_B     A   274_B     74  100  281     77  100  117  127  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     G   275_B     G   275_B     74  100  281     77  100  117  127  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     A   276_B     A   276_B     74  100  281     77  100  117  127  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     N   277_B     N   277_B     74  100  281     77  100  117  127  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     I   278_B     I   278_B     74  100  281     77  100  117  127  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     K   279_B     K   279_B     74  100  281     77  100  117  127  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     G   280_B     G   280_B     74  100  281     77  100  117  127  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     A   281_B     A   281_B     74  100  281     77  100  117  127  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     I   282_B     I   282_B     74  100  281     77  100  117  127  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     E   283_B     E   283_B     74  100  281     77  100  117  127  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     V   284_B     V   284_B     74  100  281     77  100  117  127  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     A   285_B     A   285_B     74  100  281     77  100  117  127  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     K   286_B     K   286_B     74  100  281     77  100  117  127  148  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     K   287_B     K   287_B     74  100  281     77  100  117  127  148  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     L   288_B     L   288_B     74  100  281     77  100  117  127  148  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     G   289_B     G   289_B     74  100  281     77  100  117  127  133  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     K   290_B     K   290_B     74  100  281     77  100  117  127  133  175  209  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     G   291_B     G   291_B     74  100  281     77  100  117  127  133  162  209  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     K   292_B     K   292_B     74  100  281     77  100  117  127  133  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     Q   293_B     Q   293_B     74  100  281     77  100  117  127  148  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     V   294_B     V   294_B     74  100  281     77  100  117  127  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     I   295_B     I   295_B     74  100  281     77  100  117  127  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     T   296_B     T   296_B     74  100  281     77  100  117  127  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     V   297_B     V   297_B     74  100  281     77  100  117  127  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     A   298_B     A   298_B     74  100  281     77  100  117  127  149  185  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     P   299_B     P   299_B     74  100  281     77  100  117  127  146  183  211  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     D   300_B     D   300_B     74  100  281     26   95  114  127  133  146  185  226  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     G   301_B     G   301_B     74  100  281     51   98  117  127  133  162  204  228  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     G   302_B     G   302_B     74  100  281     61  100  117  127  133  141  190  227  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     D   303_B     D   303_B     74  100  281     64  100  117  127  133  145  190  227  240  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     R   304_B     R   304_B     74  100  281     58  100  117  127  133  140  173  220  233  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     Y   305_B     Y   305_B     74  100  281     64  100  117  127  133  140  166  202  233  244  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     L   306_B     L   306_B     74  100  281     64  100  117  127  133  140  166  214  233  243  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     S   307_B     S   307_B     74  100  281     51   98  114  127  133  138  145  163  218  242  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     T   308_B     T   308_B     74  100  281     10   85  111  127  133  138  144  162  179  234  246  253  260  263  269  271  273  275  276  276 
LCS_GDT     E   309_B     E   309_B     74  100  281     10   44  111  125  133  138  144  157  178  219  244  253  260  263  269  271  273  275  276  276 
LCS_GDT     L   310_B     L   310_B     74  100  281     10   94  111  127  133  138  152  192  219  242  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     F   311_B     F   311_B     74  100  281     24   96  115  127  133  140  161  199  226  242  249  253  260  263  269  271  273  275  276  276 
LCS_GDT     N   312_B     N   312_B     74  100  281      4   18  111  125  133  138  144  160  185  221  244  252  260  263  269  271  273  275  276  276 
LCS_GDT     Y   313_B     Y   313_B     74   98  281      4   18   32   48  120  138  146  164  188  223  243  253  260  263  269  271  273  275  276  276 
LCS_AVERAGE  LCS_A:  52.44  (  22.64   34.69  100.00 )

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     77    100    117    127    149    185    211    228    240    244    249    253    260    263    269    271    273    275    276    276 
GDT PERCENT_AT  27.40  35.59  41.64  45.20  53.02  65.84  75.09  81.14  85.41  86.83  88.61  90.04  92.53  93.59  95.73  96.44  97.15  97.86  98.22  98.22
GDT RMS_LOCAL    0.24   0.45   0.72   0.84   1.62   2.00   2.20   2.37   2.51   2.57   2.66   2.80   3.00   3.07   3.30   3.39   3.48   3.59   3.61   3.61
GDT RMS_ALL_AT   6.58   6.56   6.23   6.41   4.20   4.10   4.09   4.09   4.07   4.08   4.08   4.05   4.04   4.03   4.01   4.00   4.00   4.00   4.00   4.00

# Checking swapping
#   possible swapping detected:  D    33_B      D    33_B
#   possible swapping detected:  F    43_B      F    43_B
#   possible swapping detected:  E    60_B      E    60_B
#   possible swapping detected:  E    63_B      E    63_B
#   possible swapping detected:  Y    95_B      Y    95_B
#   possible swapping detected:  E   138_B      E   138_B
#   possible swapping detected:  F   146_B      F   146_B
#   possible swapping detected:  F   151_B      F   151_B
#   possible swapping detected:  E   162_B      E   162_B
#   possible swapping detected:  E   167_B      E   167_B
#   possible swapping detected:  F   172_B      F   172_B
#   possible swapping detected:  F   180_B      F   180_B
#   possible swapping detected:  E   210_B      E   210_B
#   possible swapping detected:  D   242_B      D   242_B
#   possible swapping detected:  Y   244_B      Y   244_B
#   possible swapping detected:  D   253_B      D   253_B
#   possible swapping detected:  E   283_B      E   283_B
#   possible swapping detected:  D   300_B      D   300_B
#   possible swapping detected:  Y   313_B      Y   313_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    H     6_B      H     6_B     1.426     0    0.176   1.054     8.953   58.333   35.286
LGA    H     7_B      H     7_B     7.265     0    0.631   1.293    12.567   17.024    6.857
LGA    T     8_B      T     8_B     5.641     0    0.035   0.123     6.039   20.357   22.245
LGA    K     9_B      K     9_B     5.178     4    0.038   0.113     5.257   28.810   15.714
LGA    I    10_B      I    10_B     4.680     0    0.033   0.593     7.221   32.857   26.905
LGA    T    11_B      T    11_B     3.589     0    0.032   1.114     3.890   43.333   46.190
LGA    N    12_B      N    12_B     3.663     0    0.034   1.116     6.422   46.667   39.464
LGA    S    13_B      S    13_B     2.684     0    0.095   0.131     3.059   59.167   58.492
LGA    I    14_B      I    14_B     1.381     0    0.047   0.073     1.900   79.286   81.488
LGA    V    15_B      V    15_B     0.889     0    0.045   0.284     1.884   83.690   80.272
LGA    N    16_B      N    16_B     2.408     0    0.029   0.108     3.530   61.190   54.762
LGA    L    17_B      L    17_B     2.423     0    0.107   0.189     2.908   62.857   60.952
LGA    I    18_B      I    18_B     2.283     0    0.048   0.080     3.030   61.190   68.155
LGA    G    19_B      G    19_B     4.175     0    0.678   0.678     4.613   38.929   38.929
LGA    N    20_B      N    20_B     3.997     0    0.063   0.299     5.113   43.452   40.476
LGA    T    21_B      T    21_B     3.166     0    0.049   0.150     3.989   51.905   49.184
LGA    P    22_B      P    22_B     1.927     0    0.018   0.076     2.283   70.833   71.769
LGA    I    23_B      I    23_B     1.522     0    0.085   0.080     3.018   77.143   70.119
LGA    V    24_B      V    24_B     1.123     0    0.052   0.153     1.631   83.690   81.497
LGA    K    25_B      K    25_B     1.366     0    0.036   0.149     2.750   81.429   72.222
LGA    L    26_B      L    26_B     1.360     0    0.021   0.063     1.781   77.143   79.286
LGA    N    27_B      N    27_B     2.254     0    0.042   0.192     2.992   62.976   63.869
LGA    R    28_B      R    28_B     2.714     0    0.050   0.573     3.649   57.262   54.026
LGA    V    29_B      V    29_B     2.709     0    0.047   0.058     2.768   57.143   58.231
LGA    V    30_B      V    30_B     2.511     0    0.039   1.369     3.773   55.357   54.218
LGA    P    31_B      P    31_B     3.652     0    0.021   0.069     3.934   45.000   46.259
LGA    E    32_B      E    32_B     4.455     4    0.633   0.610     7.233   27.619   15.767
LGA    D    33_B      D    33_B     3.370     0    0.043   1.088     3.612   48.333   52.798
LGA    A    34_B      A    34_B     3.165     0    0.011   0.022     3.386   50.000   51.429
LGA    A    35_B      A    35_B     2.764     0    0.028   0.055     2.935   60.952   60.190
LGA    D    36_B      D    36_B     2.129     0    0.071   0.154     3.122   68.810   63.036
LGA    V    37_B      V    37_B     1.311     0    0.054   0.102     1.695   79.286   81.497
LGA    Y    38_B      Y    38_B     1.226     0    0.024   0.198     3.232   83.690   68.611
LGA    V    39_B      V    39_B     0.933     0    0.045   0.058     1.229   85.952   87.959
LGA    K    40_B      K    40_B     1.849     0    0.043   0.206     4.231   70.833   58.783
LGA    L    41_B      L    41_B     2.003     0    0.064   0.100     2.828   64.881   71.012
LGA    E    42_B      E    42_B     2.563     0    0.118   0.974     5.967   59.048   48.942
LGA    F    43_B      F    43_B     3.310     0    0.026   0.239     4.050   46.905   47.835
LGA    F    44_B      F    44_B     4.337     0    0.230   0.692     6.409   30.952   40.649
LGA    N    45_B      N    45_B     4.575     0    0.105   1.038     5.650   38.929   33.929
LGA    P    46_B      P    46_B     5.752     0    0.021   0.140     8.124   26.548   19.184
LGA    G    47_B      G    47_B     2.324     0    0.118   0.118     4.995   52.738   52.738
LGA    G    48_B      G    48_B     3.980     0    0.093   0.093     5.627   39.762   39.762
LGA    S    49_B      S    49_B     3.208     0    0.062   0.065     3.273   51.786   51.190
LGA    I    50_B      I    50_B     3.196     0    0.187   1.123     5.532   55.476   51.071
LGA    K    51_B      K    51_B     3.273     2    0.164   0.789     3.663   53.571   41.376
LGA    D    52_B      D    52_B     2.485     0    0.030   0.272     3.807   66.905   57.679
LGA    R    53_B      R    53_B     0.632     0    0.103   0.952     7.153   83.690   54.632
LGA    I    54_B      I    54_B     2.176     0    0.092   1.366     5.446   66.786   55.179
LGA    A    55_B      A    55_B     2.526     0    0.047   0.061     2.892   62.857   61.714
LGA    L    56_B      L    56_B     1.380     0    0.052   0.153     1.759   79.286   82.619
LGA    A    57_B      A    57_B     1.292     0    0.079   0.074     1.375   81.429   81.429
LGA    M    58_B      M    58_B     1.599     0    0.086   0.236     2.429   72.857   69.821
LGA    I    59_B      I    59_B     1.332     0    0.042   0.066     1.838   81.429   79.286
LGA    E    60_B      E    60_B     1.249     0    0.009   0.134     1.297   81.429   81.429
LGA    E    61_B      E    61_B     1.227     0    0.031   1.360     4.664   81.429   64.021
LGA    A    62_B      A    62_B     1.227     0    0.027   0.033     1.382   81.429   81.429
LGA    E    63_B      E    63_B     1.416     0    0.023   0.256     1.753   81.429   78.571
LGA    K    64_B      K    64_B     1.410     4    0.034   0.048     1.436   81.429   45.238
LGA    A    65_B      A    65_B     1.200     0    0.067   0.080     1.404   83.690   83.238
LGA    G    66_B      G    66_B     1.374     0    0.124   0.124     1.584   79.286   79.286
LGA    K    67_B      K    67_B     1.284     4    0.066   0.095     1.407   81.429   45.238
LGA    L    68_B      L    68_B     1.225     0    0.034   0.142     1.479   81.429   82.560
LGA    Q    69_B      Q    69_B     1.929     4    0.061   0.116     2.575   75.000   39.683
LGA    A    70_B      A    70_B     1.483     0    0.068   0.080     1.626   77.143   76.286
LGA    G    71_B      G    71_B     1.311     0    0.069   0.069     1.484   81.429   81.429
LGA    G    72_B      G    72_B     1.295     0    0.028   0.028     1.311   81.429   81.429
LGA    T    73_B      T    73_B     1.305     0    0.036   0.044     1.647   81.429   80.204
LGA    I    74_B      I    74_B     0.975     0    0.025   0.079     1.158   88.214   89.345
LGA    V    75_B      V    75_B     1.007     0    0.030   0.100     1.365   88.214   85.306
LGA    E    76_B      E    76_B     0.829     0    0.039   0.193     0.968   90.476   90.476
LGA    P    77_B      P    77_B     1.103     0    0.065   0.096     1.286   81.429   81.429
LGA    T    78_B      T    78_B     1.119     0    0.190   0.372     2.024   77.262   77.823
LGA    S    79_B      S    79_B     0.926     0    0.709   0.630     3.038   78.095   79.206
LGA    G    80_B      G    80_B     1.955     0    0.013   0.013     1.955   72.857   72.857
LGA    N    81_B      N    81_B     2.195     3    0.098   0.125     2.881   64.762   39.524
LGA    T    82_B      T    82_B     2.377     0    0.074   0.221     3.082   66.786   61.633
LGA    G    83_B      G    83_B     1.119     0    0.027   0.027     1.447   83.690   83.690
LGA    V    84_B      V    84_B     1.398     0    0.021   0.102     1.865   79.286   76.531
LGA    G    85_B      G    85_B     2.009     0    0.026   0.026     2.022   68.810   68.810
LGA    L    86_B      L    86_B     1.726     0    0.024   1.340     2.825   72.857   72.083
LGA    A    87_B      A    87_B     1.087     0    0.008   0.030     1.262   81.429   83.238
LGA    M    88_B      M    88_B     1.657     0    0.082   0.959     2.277   75.000   73.988
LGA    V    89_B      V    89_B     2.314     0    0.040   0.076     2.620   64.762   62.585
LGA    A    90_B      A    90_B     1.892     0    0.026   0.046     2.227   70.833   71.238
LGA    A    91_B      A    91_B     1.598     0    0.027   0.041     2.177   70.833   72.952
LGA    A    92_B      A    92_B     2.541     0    0.124   0.116     2.616   59.048   58.667
LGA    K    93_B      K    93_B     2.698     0    0.028   0.707     2.884   57.143   62.434
LGA    G    94_B      G    94_B     2.490     0    0.113   0.113     2.490   64.762   64.762
LGA    Y    95_B      Y    95_B     1.543     0    0.031   0.160     1.794   72.857   78.571
LGA    H    96_B      H    96_B     1.348     0    0.023   0.995     6.737   79.286   54.762
LGA    L    97_B      L    97_B     0.811     0    0.021   0.115     0.927   90.476   91.667
LGA    V    98_B      V    98_B     1.074     0    0.042   0.071     1.243   85.952   84.014
LGA    I    99_B      I    99_B     0.970     0    0.032   0.640     2.021   85.952   85.000
LGA    T   100_B      T   100_B     1.363     0    0.042   0.050     1.524   81.429   78.980
LGA    M   101_B      M   101_B     1.766     0    0.029   0.381     2.008   70.833   71.845
LGA    P   102_B      P   102_B     2.342     0    0.022   0.261     2.389   64.762   65.918
LGA    E   103_B      E   103_B     2.812     0    0.016   0.206     3.933   55.357   50.159
LGA    T   104_B      T   104_B     3.182     0    0.052   0.058     3.617   51.786   50.068
LGA    M   105_B      M   105_B     3.199     0    0.106   1.117     4.313   45.119   54.405
LGA    S   106_B      S   106_B     3.651     0    0.406   0.690     5.636   50.119   41.349
LGA    V   107_B      V   107_B     4.031     0    0.645   0.646     5.236   38.690   34.082
LGA    E   108_B      E   108_B     4.552     0    0.064   1.415     7.285   40.714   27.884
LGA    R   109_B      R   109_B     2.113     4    0.062   0.651     2.870   71.190   45.801
LGA    R   110_B      R   110_B     1.441     0    0.119   0.930     4.383   75.000   63.939
LGA    K   111_B      K   111_B     1.967     0    0.032   0.499     4.826   72.857   58.942
LGA    L   112_B      L   112_B     1.432     0    0.034   0.236     2.749   81.548   74.226
LGA    M   113_B      M   113_B     0.672     0    0.013   0.325     1.231   92.857   90.536
LGA    Q   114_B      Q   114_B     0.744     0    0.022   0.093     1.892   90.476   82.593
LGA    G   115_B      G   115_B     0.645     0    0.016   0.016     0.698   92.857   92.857
LGA    Y   116_B      Y   116_B     0.506     0    0.068   0.095     1.553   90.476   85.992
LGA    G   117_B      G   117_B     0.475     0    0.042   0.042     0.882   95.238   95.238
LGA    A   118_B      A   118_B     0.536     0    0.071   0.086     1.040   90.595   92.476
LGA    E   119_B      E   119_B     1.124     0    0.043   0.657     2.850   83.690   76.878
LGA    L   120_B      L   120_B     1.305     0    0.074   0.339     2.015   75.119   76.131
LGA    I   121_B      I   121_B     1.612     1    0.019   0.046     1.832   75.000   64.821
LGA    L   122_B      L   122_B     2.001     0    0.024   0.058     2.332   66.786   67.798
LGA    T   123_B      T   123_B     2.662     0    0.035   0.101     2.863   59.048   58.231
LGA    P   124_B      P   124_B     3.386     0    0.025   0.130     3.787   50.000   48.095
LGA    G   125_B      G   125_B     3.671     0    0.055   0.055     3.982   43.333   43.333
LGA    A   126_B      A   126_B     4.559     0    0.017   0.038     4.965   35.714   34.857
LGA    D   127_B      D   127_B     3.221     0    0.052   0.445     4.705   51.905   48.690
LGA    G   128_B      G   128_B     2.829     0    0.055   0.055     3.005   55.357   55.357
LGA    M   129_B      M   129_B     2.251     0    0.088   0.553     3.084   62.857   61.964
LGA    K   130_B      K   130_B     2.459     4    0.025   0.081     2.491   64.762   35.979
LGA    G   131_B      G   131_B     2.506     0    0.034   0.034     2.544   60.952   60.952
LGA    A   132_B      A   132_B     1.863     0    0.034   0.053     2.140   70.833   71.238
LGA    I   133_B      I   133_B     1.638     0    0.048   0.104     1.810   72.857   73.929
LGA    A   134_B      A   134_B     2.195     0    0.034   0.045     2.490   64.762   64.762
LGA    K   135_B      K   135_B     2.041     0    0.033   0.666     2.129   68.810   72.169
LGA    A   136_B      A   136_B     1.555     0    0.016   0.025     1.744   72.857   74.571
LGA    E   137_B      E   137_B     1.697     2    0.047   0.081     1.978   72.857   56.667
LGA    E   138_B      E   138_B     2.027     0    0.064   0.756     4.484   70.833   58.942
LGA    L   139_B      L   139_B     1.661     0    0.019   0.106     1.810   72.857   73.929
LGA    V   140_B      V   140_B     1.777     0    0.117   0.155     2.113   72.857   71.701
LGA    K   141_B      K   141_B     2.114     4    0.053   0.073     2.408   64.762   35.979
LGA    E   142_B      E   142_B     1.729     4    0.031   0.095     1.925   72.857   40.476
LGA    K   143_B      K   143_B     1.534     4    0.032   0.053     1.696   72.857   41.429
LGA    G   144_B      G   144_B     1.881     0    0.026   0.026     1.881   72.857   72.857
LGA    Y   145_B      Y   145_B     1.324     0    0.056   0.061     1.598   79.286   82.222
LGA    F   146_B      F   146_B     0.926     0    0.037   0.163     1.154   88.214   86.364
LGA    M   147_B      M   147_B     0.913     0    0.014   0.131     1.054   88.214   89.345
LGA    P   148_B      P   148_B     1.009     0    0.636   0.710     2.568   77.619   80.544
LGA    M   149_B      M   149_B     2.932     3    0.345   0.364     3.392   62.976   37.738
LGA    Q   150_B      Q   150_B     3.000     4    0.701   0.638     4.879   50.357   25.873
LGA    F   151_B      F   151_B     2.666     0    0.093   1.293    11.417   66.905   28.788
LGA    D   152_B      D   152_B     4.375     3    0.176   0.183     6.338   34.405   19.345
LGA    N   153_B      N   153_B     7.287     3    0.109   0.135     8.234   15.833    8.512
LGA    P   154_B      P   154_B     8.225     0    0.223   0.229    10.544    3.095    2.041
LGA    A   155_B      A   155_B    12.744     0    0.588   0.584    14.573    0.000    0.000
LGA    H   160_B      H   160_B    12.281     5    0.632   0.624    13.092    0.000    0.000
LGA    E   161_B      E   161_B     8.490     0    0.162   0.779     9.677    4.881    6.296
LGA    E   162_B      E   162_B     7.029     0    0.153   0.999     7.979   10.119   10.476
LGA    T   163_B      T   163_B     8.744     0    0.124   1.184    10.399    3.333    2.993
LGA    T   164_B      T   164_B     9.541     0    0.066   0.173    10.346    1.548    0.952
LGA    G   165_B      G   165_B     7.481     0    0.048   0.048     8.120    8.690    8.690
LGA    K   166_B      K   166_B     6.820     4    0.023   0.078     7.584   10.238    6.455
LGA    E   167_B      E   167_B     9.205     0    0.078   0.899     9.917    2.024    1.799
LGA    I   168_B      I   168_B     9.340     0    0.017   0.044    10.017    1.786    1.310
LGA    L   169_B      L   169_B     7.743     0    0.022   1.163     8.597    4.881   11.310
LGA    E   170_B      E   170_B     9.207     0    0.040   0.851    10.349    1.190    1.481
LGA    A   171_B      A   171_B    11.004     0    0.063   0.068    11.683    0.000    0.000
LGA    F   172_B      F   172_B    10.019     0    0.118   0.131    10.167    0.000    0.649
LGA    G   173_B      G   173_B    10.661     0    0.660   0.660    10.661    0.119    0.119
LGA    D   174_B      D   174_B    11.517     0    0.166   0.278    14.738    0.000    0.000
LGA    D   175_B      D   175_B     9.310     0    0.272   0.861    10.205    2.738    1.548
LGA    I   176_B      I   176_B     5.372     0    0.096   0.615     6.934   25.595   26.310
LGA    P   177_B      P   177_B     3.283     0    0.136   0.413     4.190   50.357   48.435
LGA    D   178_B      D   178_B     2.764     0    0.033   0.268     4.837   60.952   52.381
LGA    A   179_B      A   179_B     1.863     0    0.061   0.058     2.240   70.833   71.238
LGA    F   180_B      F   180_B     1.602     0    0.014   0.186     2.329   77.143   72.208
LGA    V   181_B      V   181_B     1.130     0    0.019   0.066     1.362   81.429   84.014
LGA    A   182_B      A   182_B     1.759     0    0.104   0.124     2.057   72.857   71.238
LGA    G   183_B      G   183_B     1.696     0    0.117   0.117     1.741   77.143   77.143
LGA    V   184_B      V   184_B     1.978     0    0.169   1.111     3.817   68.810   64.082
LGA    G   185_B      G   185_B     2.527     0    0.107   0.107     4.002   52.262   52.262
LGA    T   186_B      T   186_B     5.099     0    0.069   0.108     6.616   29.048   24.014
LGA    G   187_B      G   187_B     3.517     0    0.092   0.092     3.841   45.000   45.000
LGA    G   188_B      G   188_B     4.686     0    0.113   0.113     4.686   34.286   34.286
LGA    T   189_B      T   189_B     3.950     0    0.036   0.150     4.524   43.452   39.932
LGA    L   190_B      L   190_B     2.404     0    0.028   0.238     2.782   62.857   64.881
LGA    T   191_B      T   191_B     2.821     0    0.073   0.122     3.573   55.357   52.109
LGA    G   192_B      G   192_B     3.614     0    0.014   0.014     3.614   46.667   46.667
LGA    V   193_B      V   193_B     3.247     0    0.050   0.090     3.449   51.786   51.020
LGA    G   194_B      G   194_B     2.392     0    0.050   0.050     2.635   62.857   62.857
LGA    H   195_B      H   195_B     2.827     0    0.024   0.356     3.353   53.571   55.095
LGA    A   196_B      A   196_B     3.576     0    0.039   0.042     3.864   46.667   46.000
LGA    L   197_B      L   197_B     3.090     0    0.023   0.089     3.801   51.786   51.845
LGA    K   198_B      K   198_B     2.618     0    0.086   0.397     2.654   57.143   65.926
LGA    K   199_B      K   199_B     2.940     2    0.091   0.525     4.172   57.143   40.688
LGA    A   200_B      A   200_B     3.171     0    0.021   0.044     3.290   50.000   50.000
LGA    N   201_B      N   201_B     2.956     0    0.027   0.148     3.940   55.357   51.845
LGA    P   202_B      P   202_B     2.255     0    0.095   0.116     2.552   62.857   61.497
LGA    N   203_B      N   203_B     2.269     0    0.040   1.107     3.275   64.762   61.964
LGA    V   204_B      V   204_B     2.313     0    0.049   1.014     4.077   68.810   58.980
LGA    Q   205_B      Q   205_B     1.817     0    0.049   0.903     3.335   72.857   70.317
LGA    I   206_B      I   206_B     1.708     0    0.016   0.047     2.164   72.857   70.833
LGA    Y   207_B      Y   207_B     1.350     0    0.040   0.098     1.515   79.286   82.976
LGA    A   208_B      A   208_B     1.963     0    0.021   0.020     2.241   72.857   71.238
LGA    L   209_B      L   209_B     2.042     0    0.027   0.260     2.745   66.786   67.857
LGA    E   210_B      E   210_B     2.649     0    0.032   0.374     2.763   59.048   62.328
LGA    P   211_B      P   211_B     3.181     0    0.092   0.276     3.533   50.000   49.048
LGA    A   212_B      A   212_B     3.393     0    0.573   0.514     3.477   50.000   50.000
LGA    P   236_B      P   236_B    14.571     0    0.495   0.761    15.770    0.000    0.000
LGA    K   237_B      K   237_B    15.003     0    0.513   1.016    17.379    0.000    0.000
LGA    V   238_B      V   238_B    14.797     0    0.572   0.927    17.184    0.000    0.000
LGA    L   239_B      L   239_B     8.965     0    0.164   1.423    11.047    2.143    7.143
LGA    D   240_B      D   240_B     7.387     0    0.042   1.093     8.455   16.905   12.202
LGA    T   241_B      T   241_B     3.794     0    0.152   0.209     5.735   49.881   39.796
LGA    D   242_B      D   242_B     2.816     0    0.161   0.159     4.368   55.357   49.405
LGA    V   243_B      V   243_B     2.090     0    0.145   0.151     2.383   68.810   71.769
LGA    Y   244_B      Y   244_B     1.583     0    0.072   1.003     5.404   77.143   61.230
LGA    N   245_B      N   245_B     1.310     0    0.028   0.251     1.742   81.429   79.286
LGA    G   246_B      G   246_B     1.451     0    0.074   0.074     1.451   81.429   81.429
LGA    I   247_B      I   247_B     1.262     0    0.041   0.097     1.553   81.429   80.357
LGA    L   248_B      L   248_B     1.170     0    0.034   0.084     1.710   77.143   82.679
LGA    E   249_B      E   249_B     2.164     0    0.145   0.425     3.815   66.786   63.333
LGA    I   250_B      I   250_B     2.811     0    0.035   0.087     3.246   53.571   57.262
LGA    K   251_B      K   251_B     3.739     2    0.026   0.113     4.265   45.000   33.069
LGA    S   252_B      S   252_B     4.202     0    0.011   0.573     5.459   37.143   35.317
LGA    D   253_B      D   253_B     4.518     0    0.028   0.961     7.681   35.714   25.595
LGA    D   254_B      D   254_B     3.596     0    0.031   0.508     4.353   46.667   43.452
LGA    A   255_B      A   255_B     3.175     0    0.053   0.063     3.435   50.000   50.000
LGA    I   256_B      I   256_B     4.116     0    0.008   0.093     5.044   38.690   34.405
LGA    T   257_B      T   257_B     4.043     0    0.026   0.106     4.640   40.238   38.095
LGA    M   258_B      M   258_B     2.942     0    0.017   0.826     3.619   55.357   57.381
LGA    A   259_B      A   259_B     3.079     0    0.054   0.055     3.304   50.000   50.000
LGA    R   260_B      R   260_B     3.720     0    0.023   1.374     9.900   45.000   26.494
LGA    E   261_B      E   261_B     3.258     0    0.024   0.175     3.883   53.571   48.624
LGA    V   262_B      V   262_B     2.189     0    0.010   0.054     2.510   62.857   64.830
LGA    G   263_B      G   263_B     2.620     0    0.049   0.049     2.729   59.048   59.048
LGA    H   264_B      H   264_B     3.156     0    0.104   0.314     4.403   55.357   48.238
LGA    Q   265_B      Q   265_B     2.694     0    0.064   1.055     4.830   60.952   56.349
LGA    E   266_B      E   266_B     1.670     0    0.039   0.150     1.958   75.000   74.762
LGA    G   267_B      G   267_B     1.684     0    0.056   0.056     1.712   72.857   72.857
LGA    I   268_B      I   268_B     1.544     0    0.055   0.128     2.229   70.833   77.262
LGA    L   269_B      L   269_B     2.660     0    0.037   0.121     3.845   59.048   52.917
LGA    V   270_B      V   270_B     2.821     0    0.049   0.063     3.572   51.905   55.238
LGA    G   271_B      G   271_B     3.835     0    0.041   0.041     3.835   46.667   46.667
LGA    I   272_B      I   272_B     3.740     0    0.029   0.229     5.399   46.667   40.595
LGA    S   273_B      S   273_B     3.059     0    0.100   0.555     3.364   53.571   52.381
LGA    A   274_B      A   274_B     2.194     0    0.021   0.051     2.472   66.786   66.381
LGA    G   275_B      G   275_B     2.355     0    0.026   0.026     2.355   64.762   64.762
LGA    A   276_B      A   276_B     2.384     0    0.020   0.034     2.672   66.786   64.857
LGA    N   277_B      N   277_B     1.732     0    0.032   0.109     2.285   75.119   70.952
LGA    I   278_B      I   278_B     1.359     0    0.042   0.104     1.547   79.286   80.357
LGA    K   279_B      K   279_B     1.929     0    0.009   0.183     3.872   72.857   62.646
LGA    G   280_B      G   280_B     1.308     0    0.015   0.015     1.542   79.286   79.286
LGA    A   281_B      A   281_B     0.738     0    0.024   0.040     1.122   88.214   88.667
LGA    I   282_B      I   282_B     1.572     0    0.035   0.088     2.256   72.976   70.893
LGA    E   283_B      E   283_B     1.864     0    0.098   0.159     2.259   70.833   71.958
LGA    V   284_B      V   284_B     1.326     0    0.025   0.037     1.882   77.143   81.565
LGA    A   285_B      A   285_B     1.832     0    0.019   0.049     2.538   66.905   68.095
LGA    K   286_B      K   286_B     2.679     0    0.028   0.369     4.444   57.262   54.180
LGA    K   287_B      K   287_B     2.672     2    0.107   0.189     3.083   55.357   46.190
LGA    L   288_B      L   288_B     2.882     0    0.015   0.160     3.601   51.905   55.476
LGA    G   289_B      G   289_B     3.541     0    0.016   0.016     3.636   45.000   45.000
LGA    K   290_B      K   290_B     3.888     2    0.029   0.492     4.354   40.238   32.487
LGA    G   291_B      G   291_B     4.007     0    0.040   0.040     4.007   41.786   41.786
LGA    K   292_B      K   292_B     3.431     0    0.021   0.619     4.397   48.333   46.402
LGA    Q   293_B      Q   293_B     2.624     0    0.045   0.655     5.459   59.048   44.815
LGA    V   294_B      V   294_B     1.602     0    0.016   0.036     1.860   77.143   78.980
LGA    I   295_B      I   295_B     1.496     0    0.043   1.308     4.153   79.286   71.845
LGA    T   296_B      T   296_B     1.168     0    0.049   0.115     1.365   81.429   84.014
LGA    V   297_B      V   297_B     1.890     0    0.042   0.090     2.123   70.833   68.231
LGA    A   298_B      A   298_B     2.065     0    0.056   0.055     2.730   64.881   66.476
LGA    P   299_B      P   299_B     3.084     0    0.040   0.183     4.216   48.810   52.449
LGA    D   300_B      D   300_B     4.570     0    0.093   0.153     6.501   38.810   30.952
LGA    G   301_B      G   301_B     4.037     0    0.039   0.039     4.576   35.714   35.714
LGA    G   302_B      G   302_B     4.363     0    0.076   0.076     4.809   34.286   34.286
LGA    D   303_B      D   303_B     4.522     0    0.163   0.874     5.775   27.619   30.476
LGA    R   304_B      R   304_B     5.404     6    0.040   0.068     5.955   23.810   11.039
LGA    Y   305_B      Y   305_B     5.704     0    0.075   0.193     6.117   20.357   25.992
LGA    L   306_B      L   306_B     5.831     0    0.016   0.140     6.450   19.286   20.952
LGA    S   307_B      S   307_B     7.330     0    0.153   0.650     8.605    8.333    7.937
LGA    T   308_B      T   308_B     7.638     0    0.019   0.125     7.638    8.571    8.367
LGA    E   309_B      E   309_B     7.992     3    0.126   0.697     9.437    8.571    4.286
LGA    L   310_B      L   310_B     6.364     0    0.059   0.104     7.033   15.357   20.298
LGA    F   311_B      F   311_B     6.139     0    0.414   0.536     6.383   18.214   23.896
LGA    N   312_B      N   312_B     8.175     0    0.508   1.080    13.245    6.548    3.333
LGA    Y   313_B      Y   313_B     7.687     0    0.629   0.471     9.415    5.714   13.135

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      281    1124   1124  100.00    1997   1997  100.00               281
SUMMARY(RMSD_GDC):     3.992          3.971                  4.248           56.885   53.597

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  313  281    4.0    228    2.37    64.591    60.089     9.244

LGA_LOCAL      RMSD:   2.366  Number of atoms:  228  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   4.089  Number of assigned atoms:  281 
Std_ASGN_ATOMS RMSD:   3.992  Standard rmsd on all 281 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.025851 * X  +   0.989378 * Y  +   0.143047 * Z  +   8.144912
  Y_new =   0.452190 * X  +   0.116045 * Y  +  -0.884340 * Z  +  10.010327
  Z_new =  -0.891547 * X  +   0.087546 * Y  +  -0.444387 * Z  +  24.354771 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.513690  1.100749  2.947080   [DEG:   86.7280   63.0683  168.8552 ]
ZXZ:  0.160367  2.031286 -1.472915   [DEG:    9.1883  116.3841  -84.3918 ]
 
# END of job
