
#######################################################
#                                                     #
#                        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       3.92     3.92
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   128      21_B - 148_B       2.00     4.19
  LONGEST_CONTINUOUS_SEGMENT:   128      22_B - 149_B       1.99     4.19
  LCS_AVERAGE:     36.63

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   100      51_B - 150_B       0.98     5.19
  LCS_AVERAGE:     23.14

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     17   35   73  118  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     H     7_B     H     7_B     14   17  281      9   34   91  111  124  139  166  191  218  240  250  257  258  261  265  270  272  275  276  277 
LCS_GDT     T     8_B     T     8_B     14   17  281     48   75  100  117  136  159  191  223  241  248  251  258  261  263  270  272  274  275  276  277 
LCS_GDT     K     9_B     K     9_B     14   17  281     48   75  100  117  139  166  194  229  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     I    10_B     I    10_B     14   17  281     27   73  100  117  139  176  199  232  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     T    11_B     T    11_B     14   17  281      9   70  100  118  143  176  212  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     N    12_B     N    12_B     14   17  281      9   20   91  117  143  176  210  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     S    13_B     S    13_B     14   33  281      9   20  100  120  153  187  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     I    14_B     I    14_B     14   33  281      9   75  100  120  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     V    15_B     V    15_B     14   33  281      9   75  100  120  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     N    16_B     N    16_B     14   33  281     52   77  100  120  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     L    17_B     L    17_B     14   52  281      7   75  100  120  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     I    18_B     I    18_B     29   52  281     11   67  111  124  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     G    19_B     G    19_B     29   52  281      5   31  115  127  134  164  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     N    20_B     N    20_B     29   52  281     11   97  116  127  134  160  216  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     T    21_B     T    21_B     29  128  281     77  100  116  127  141  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     P    22_B     P    22_B     29  128  281     65  100  116  127  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     I    23_B     I    23_B     29  128  281     63  100  116  127  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     V    24_B     V    24_B     29  128  281     77  100  116  127  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     K    25_B     K    25_B     29  128  281     78  100  116  127  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     L    26_B     L    26_B     29  128  281     78  100  116  127  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     N    27_B     N    27_B     29  128  281     78  100  116  127  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     R    28_B     R    28_B     29  128  281     78  100  116  127  153  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     V    29_B     V    29_B     29  128  281     78  100  116  127  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     V    30_B     V    30_B     29  128  281     78  100  116  127  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     P    31_B     P    31_B     29  128  281     78  100  116  127  147  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     E    32_B     E    32_B     29  128  281     78  100  116  127  147  188  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     D    33_B     D    33_B     29  128  281     78  100  116  127  134  179  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     A    34_B     A    34_B     29  128  281     78  100  116  127  148  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     A    35_B     A    35_B     29  128  281     78  100  116  127  151  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     D    36_B     D    36_B     29  128  281     78  100  116  127  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     V    37_B     V    37_B     29  128  281     78  100  116  127  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     Y    38_B     Y    38_B     29  128  281     78  100  116  127  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     V    39_B     V    39_B     29  128  281     78  100  116  127  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     K    40_B     K    40_B     29  128  281     78  100  116  127  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     L    41_B     L    41_B     29  128  281     78  100  116  127  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     E    42_B     E    42_B     29  128  281     77  100  116  127  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     F    43_B     F    43_B     29  128  281     53  100  116  127  144  188  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     F    44_B     F    44_B     29  128  281      5   92  114  127  136  161  196  232  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     N    45_B     N    45_B     29  128  281     26   93  112  127  134  144  196  231  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     P    46_B     P    46_B     29  128  281     11   19   55  125  134  139  152  190  239  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     G    47_B     G    47_B     33  128  281     12   66   90  111  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     G    48_B     G    48_B     33  128  281      4    9   20   59   93  163  197  229  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     S    49_B     S    49_B     33  128  281      3   20   59   92  120  184  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     I    50_B     I    50_B     33  128  281      3   20   58   91  120  184  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     K    51_B     K    51_B    100  128  281      7   20   62   99  119  179  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     D    52_B     D    52_B    100  128  281     36   76   99  114  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     R    53_B     R    53_B    100  128  281     18   75   99  120  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     I    54_B     I    54_B    100  128  281      7   39   83  114  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     A    55_B     A    55_B    100  128  281      7   42   89  113  150  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     L    56_B     L    56_B    100  128  281     55   77  100  120  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     A    57_B     A    57_B    100  128  281     28   76  100  120  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     M    58_B     M    58_B    100  128  281     22   76  100  120  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     I    59_B     I    59_B    100  128  281     54   77  100  120  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     E    60_B     E    60_B    100  128  281     55   77  100  120  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     E    61_B     E    61_B    100  128  281     43   77  100  120  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     A    62_B     A    62_B    100  128  281     55   77  100  120  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     E    63_B     E    63_B    100  128  281     54   77  100  120  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     K    64_B     K    64_B    100  128  281     49   77  100  120  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     A    65_B     A    65_B    100  128  281     55   77  100  120  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     G    66_B     G    66_B    100  128  281     55   77  100  120  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     K    67_B     K    67_B    100  128  281     55   77  100  120  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     L    68_B     L    68_B    100  128  281     55   77  100  120  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     Q    69_B     Q    69_B    100  128  281     52   77  100  120  154  190  216  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     A    70_B     A    70_B    100  128  281     55   77  100  120  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     G    71_B     G    71_B    100  128  281     55   77  100  120  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     G    72_B     G    72_B    100  128  281     55   77  100  120  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     T    73_B     T    73_B    100  128  281     55   77  100  120  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     I    74_B     I    74_B    100  128  281     55   77  100  120  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     V    75_B     V    75_B    100  128  281     55   77  100  120  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     E    76_B     E    76_B    100  128  281     55   77  100  120  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     P    77_B     P    77_B    100  128  281     55   77  100  120  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     T    78_B     T    78_B    100  128  281     55   77  100  120  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     S    79_B     S    79_B    100  128  281     26   75  100  120  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     G    80_B     G    80_B    100  128  281     15   41   98  120  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     N    81_B     N    81_B    100  128  281     15   64  109  124  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     T    82_B     T    82_B    100  128  281     19   43  105  123  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     G    83_B     G    83_B    100  128  281     21   72  100  120  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     V    84_B     V    84_B    100  128  281     30   74  100  120  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     G    85_B     G    85_B    100  128  281     21   72  100  120  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     L    86_B     L    86_B    100  128  281     21   72  100  120  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     A    87_B     A    87_B    100  128  281     51   77  100  120  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     M    88_B     M    88_B    100  128  281     49   77  100  120  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     V    89_B     V    89_B    100  128  281     19   75  100  120  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     A    90_B     A    90_B    100  128  281     41   77  100  120  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     A    91_B     A    91_B    100  128  281     52   77  100  120  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     A    92_B     A    92_B    100  128  281     45   77  100  120  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     K    93_B     K    93_B    100  128  281     41   75  100  120  153  189  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     G    94_B     G    94_B    100  128  281     48   77  100  120  154  189  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     Y    95_B     Y    95_B    100  128  281     53   77  100  120  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     H    96_B     H    96_B    100  128  281     52   77  100  120  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     L    97_B     L    97_B    100  128  281     55   77  100  120  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     V    98_B     V    98_B    100  128  281     55   77  100  120  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     I    99_B     I    99_B    100  128  281     55   77  100  120  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     T   100_B     T   100_B    100  128  281     55   77  100  120  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     M   101_B     M   101_B    100  128  281     55   77  100  120  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     P   102_B     P   102_B    100  128  281     55   77  100  120  153  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     E   103_B     E   103_B    100  128  281     55   77  100  120  153  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     T   104_B     T   104_B    100  128  281     55   77  100  120  151  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     M   105_B     M   105_B    100  128  281     15   77  100  120  149  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     S   106_B     S   106_B    100  128  281      3   17   70  114  149  182  214  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     V   107_B     V   107_B    100  128  281      4   31   89  114  149  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     E   108_B     E   108_B    100  128  281     14   54   89  118  141  180  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     R   109_B     R   109_B    100  128  281      6   74  100  120  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     R   110_B     R   110_B    100  128  281     55   77  100  120  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     K   111_B     K   111_B    100  128  281     52   77  100  120  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     L   112_B     L   112_B    100  128  281     52   77  100  120  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     M   113_B     M   113_B    100  128  281     55   77  100  120  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     Q   114_B     Q   114_B    100  128  281     55   77  100  120  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     G   115_B     G   115_B    100  128  281     55   77  100  120  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     Y   116_B     Y   116_B    100  128  281     55   77  100  120  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     G   117_B     G   117_B    100  128  281     55   77  100  120  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     A   118_B     A   118_B    100  128  281     55   77  100  120  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     E   119_B     E   119_B    100  128  281     55   77  100  120  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     L   120_B     L   120_B    100  128  281     55   77  100  120  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     I   121_B     I   121_B    100  128  281     55   77  100  120  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     L   122_B     L   122_B    100  128  281     55   77  100  120  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     T   123_B     T   123_B    100  128  281     55   77  100  120  153  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     P   124_B     P   124_B    100  128  281     51   77  100  120  149  184  214  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     G   125_B     G   125_B    100  128  281     51   77  100  120  149  182  214  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     A   126_B     A   126_B    100  128  281     21   75  100  118  140  171  199  223  242  248  251  254  261  264  270  272  274  275  276  277 
LCS_GDT     D   127_B     D   127_B    100  128  281     55   77  100  120  149  183  214  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     G   128_B     G   128_B    100  128  281     55   77  100  120  151  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     M   129_B     M   129_B    100  128  281     55   77  100  120  153  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     K   130_B     K   130_B    100  128  281     55   77  100  120  151  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     G   131_B     G   131_B    100  128  281     55   77  100  120  153  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     A   132_B     A   132_B    100  128  281     55   77  100  120  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     I   133_B     I   133_B    100  128  281     55   77  100  120  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     A   134_B     A   134_B    100  128  281     55   77  100  120  153  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     K   135_B     K   135_B    100  128  281     55   77  100  120  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     A   136_B     A   136_B    100  128  281     55   77  100  120  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     E   137_B     E   137_B    100  128  281     55   77  100  120  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     E   138_B     E   138_B    100  128  281     55   77  100  120  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     L   139_B     L   139_B    100  128  281     55   77  100  120  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     V   140_B     V   140_B    100  128  281     55   77  100  120  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     K   141_B     K   141_B    100  128  281     55   77  100  120  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     E   142_B     E   142_B    100  128  281     37   77  100  120  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     K   143_B     K   143_B    100  128  281     37   77  100  120  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     G   144_B     G   144_B    100  128  281     37   77  100  120  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     Y   145_B     Y   145_B    100  128  281     55   77  100  120  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     F   146_B     F   146_B    100  128  281     55   77  100  120  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     M   147_B     M   147_B    100  128  281     55   77  100  120  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     P   148_B     P   148_B    100  128  281     55   77  100  120  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     M   149_B     M   149_B    100  128  281      5    5   58  102  149  184  215  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     Q   150_B     Q   150_B    100  123  281      9   57   87  107  145  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     F   151_B     F   151_B     98  123  281      3    9   44  104  149  190  216  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     D   152_B     D   152_B      6  122  281      8   31   58   72   90  150  203  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     N   153_B     N   153_B      6  120  281      4    6   33   50   70   98  135  148  198  214  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     P   154_B     P   154_B      6  120  281      4   14   34   48   58   91  106  138  182  213  239  251  261  264  270  272  274  275  276  277 
LCS_GDT     A   155_B     A   155_B      6  110  281      4    6    7    9   10   12   24   30   71   84   96  118  151  181  208  248  258  271  274  276 
LCS_GDT     H   160_B     H   160_B      4   18  281      3    4    4    7   17   20   25   27   33   43   51   87  107  150  232  260  266  270  274  277 
LCS_GDT     E   161_B     E   161_B      4   18  281      3    4    5   16   20   31   55  111  171  203  228  247  254  263  270  272  274  275  276  277 
LCS_GDT     E   162_B     E   162_B     12   18  281      3    6   21   39   64   91  112  173  205  232  245  253  261  264  270  272  274  275  276  277 
LCS_GDT     T   163_B     T   163_B     12   18  281      6   11   14   18   33   56   81  114  159  198  221  239  255  263  270  272  274  275  276  277 
LCS_GDT     T   164_B     T   164_B     12   18  281      9   11   14   18   22   27   46   73  109  169  208  230  249  259  266  272  274  275  276  277 
LCS_GDT     G   165_B     G   165_B     12   18  281      9   11   14   18   36   59   89  145  195  220  241  252  261  264  270  272  274  275  276  277 
LCS_GDT     K   166_B     K   166_B     12   18  281      9   11   14   33   52   82  128  183  212  239  247  258  261  264  270  272  274  275  276  277 
LCS_GDT     E   167_B     E   167_B     12   18  281      9   12   28   46   54   75  100  140  148  172  209  238  255  264  270  272  274  275  276  277 
LCS_GDT     I   168_B     I   168_B     12   45  281      9   11   14   23   48   68   97  132  147  154  178  230  251  263  270  272  274  275  276  277 
LCS_GDT     L   169_B     L   169_B     12   45  281      9   16   43   95  125  138  142  148  164  209  242  252  261  264  270  272  274  275  276  277 
LCS_GDT     E   170_B     E   170_B     12   45  281      9   17   50   93  121  138  141  144  151  165  190  231  251  264  270  272  274  275  276  277 
LCS_GDT     A   171_B     A   171_B     12   45  281      9   11   14   29   65   99  121  138  145  150  155  168  198  233  258  268  274  275  276  277 
LCS_GDT     F   172_B     F   172_B     12   45  281      9   11   14   23   65   99  124  140  145  150  159  184  238  246  262  272  274  275  276  277 
LCS_GDT     G   173_B     G   173_B     12   45  281      6   11   17   37   51   88  115  137  145  150  155  164  198  246  258  268  274  275  276  277 
LCS_GDT     D   174_B     D   174_B      4   45  281      4    7   14   31   51   77  103  136  143  150  155  164  176  199  235  264  270  275  276  277 
LCS_GDT     D   175_B     D   175_B      4   45  281      4    7   17   37   62  103  129  142  147  153  176  216  250  258  270  272  274  275  276  277 
LCS_GDT     I   176_B     I   176_B     37   45  281      9   85  110  127  134  139  157  212  238  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     P   177_B     P   177_B     37   45  281     78  100  116  127  141  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     D   178_B     D   178_B     37   45  281     78  100  116  127  151  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     A   179_B     A   179_B     37   45  281     78  100  116  127  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     F   180_B     F   180_B     37   45  281     78  100  116  127  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     V   181_B     V   181_B     37   45  281     78  100  116  127  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     A   182_B     A   182_B     37   45  281     78  100  116  127  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     G   183_B     G   183_B     37   45  281     23   93  116  127  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     V   184_B     V   184_B     37   45  281     23   93  114  127  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     G   185_B     G   185_B     37   45  281     21   68  105  124  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     T   186_B     T   186_B     37   45  281      6   27   58  107  131  140  181  222  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     G   187_B     G   187_B     37   45  281      6   49  114  127  147  189  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     G   188_B     G   188_B     37   45  281      8   36   80  115  131  145  210  232  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     T   189_B     T   189_B     37   45  281      6   36   57  102  131  180  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     L   190_B     L   190_B     37  100  281     18   51  116  127  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     T   191_B     T   191_B     37  100  281     18   75  115  127  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     G   192_B     G   192_B     37  100  281     18   52  107  127  145  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     V   193_B     V   193_B     37  100  281     18   71  116  127  146  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     G   194_B     G   194_B     37  100  281     18   94  116  127  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     H   195_B     H   195_B     37  100  281     18   89  116  127  153  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     A   196_B     A   196_B     37  100  281     16   94  116  127  145  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     L   197_B     L   197_B     37  100  281     57  100  116  127  147  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     K   198_B     K   198_B     37  100  281     33   99  116  127  153  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     K   199_B     K   199_B     37  100  281     17   98  116  127  151  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     A   200_B     A   200_B     37  100  281     33   98  116  127  147  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     N   201_B     N   201_B     37  100  281     39   98  116  127  151  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     P   202_B     P   202_B     37  100  281     17   98  116  127  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     N   203_B     N   203_B     37  100  281     44  100  116  127  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     V   204_B     V   204_B     37  100  281     77  100  116  127  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     Q   205_B     Q   205_B     37  100  281     78  100  116  127  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     I   206_B     I   206_B     37  100  281     78  100  116  127  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     Y   207_B     Y   207_B     37  100  281     78  100  116  127  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     A   208_B     A   208_B     37  100  281     78  100  116  127  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     L   209_B     L   209_B     37  100  281     78  100  116  127  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     E   210_B     E   210_B     37  100  281     58  100  116  127  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     P   211_B     P   211_B     37  100  281     32   94  116  127  147  188  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     A   212_B     A   212_B     37  100  281     24   87  112  127  147  188  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     P   236_B     P   236_B      3  100  281      0    3    3    7   10   24   34   49   92  136  149  151  158  168  178  191  199  251  267  272 
LCS_GDT     K   237_B     K   237_B      3  100  281      0    3    3    3    4    9   20   87  100  115  122  144  158  168  178  196  220  251  258  272 
LCS_GDT     V   238_B     V   238_B      5  100  281      3    5    6    9   14   30   64   76   87  100  113  127  153  162  170  191  209  217  221  272 
LCS_GDT     L   239_B     L   239_B      5  100  281      5    7   14   31   65  117  139  142  151  166  196  235  255  263  270  272  274  275  276  277 
LCS_GDT     D   240_B     D   240_B     74  100  281      5   10   69  103  129  138  154  181  199  237  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     T   241_B     T   241_B     74  100  281      6   53  114  127  147  180  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     D   242_B     D   242_B     74  100  281     57  100  116  127  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     V   243_B     V   243_B     74  100  281     44   98  116  127  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     Y   244_B     Y   244_B     74  100  281     56  100  116  127  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     N   245_B     N   245_B     74  100  281     44  100  116  127  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     G   246_B     G   246_B     74  100  281     32  100  116  127  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     I   247_B     I   247_B     74  100  281     78  100  116  127  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     L   248_B     L   248_B     74  100  281     78  100  116  127  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     E   249_B     E   249_B     74  100  281     65  100  116  127  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     I   250_B     I   250_B     74  100  281     78  100  116  127  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     K   251_B     K   251_B     74  100  281     78  100  116  127  134  181  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     S   252_B     S   252_B     74  100  281     78  100  116  127  134  174  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     D   253_B     D   253_B     74  100  281     78  100  116  127  134  170  212  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     D   254_B     D   254_B     74  100  281     78  100  116  127  140  186  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     A   255_B     A   255_B     74  100  281     78  100  116  127  147  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     I   256_B     I   256_B     74  100  281     78  100  116  127  134  174  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     T   257_B     T   257_B     74  100  281     78  100  116  127  134  181  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     M   258_B     M   258_B     74  100  281     78  100  116  127  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     A   259_B     A   259_B     74  100  281     78  100  116  127  152  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     R   260_B     R   260_B     74  100  281     78  100  116  127  134  183  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     E   261_B     E   261_B     74  100  281     78  100  116  127  149  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     V   262_B     V   262_B     74  100  281     78  100  116  127  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     G   263_B     G   263_B     74  100  281     78  100  116  127  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     H   264_B     H   264_B     74  100  281     78  100  116  127  153  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     Q   265_B     Q   265_B     74  100  281     78  100  116  127  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     E   266_B     E   266_B     74  100  281     78  100  116  127  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     G   267_B     G   267_B     74  100  281     78  100  116  127  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     I   268_B     I   268_B     74  100  281     78  100  116  127  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     L   269_B     L   269_B     74  100  281     78  100  116  127  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     V   270_B     V   270_B     74  100  281     77  100  116  127  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     G   271_B     G   271_B     74  100  281     63  100  116  127  134  170  216  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     I   272_B     I   272_B     74  100  281     78  100  116  127  134  181  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     S   273_B     S   273_B     74  100  281     78  100  116  127  149  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     A   274_B     A   274_B     74  100  281     78  100  116  127  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     G   275_B     G   275_B     74  100  281     78  100  116  127  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     A   276_B     A   276_B     74  100  281     78  100  116  127  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     N   277_B     N   277_B     74  100  281     78  100  116  127  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     I   278_B     I   278_B     74  100  281     78  100  116  127  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     K   279_B     K   279_B     74  100  281     78  100  116  127  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     G   280_B     G   280_B     74  100  281     78  100  116  127  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     A   281_B     A   281_B     74  100  281     78  100  116  127  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     I   282_B     I   282_B     74  100  281     78  100  116  127  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     E   283_B     E   283_B     74  100  281     78  100  116  127  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     V   284_B     V   284_B     74  100  281     78  100  116  127  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     A   285_B     A   285_B     74  100  281     78  100  116  127  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     K   286_B     K   286_B     74  100  281     78  100  116  127  151  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     K   287_B     K   287_B     74  100  281     78  100  116  127  151  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     L   288_B     L   288_B     74  100  281     78  100  116  127  149  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     G   289_B     G   289_B     74  100  281     78  100  116  127  134  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     K   290_B     K   290_B     74  100  281     78  100  116  127  134  188  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     G   291_B     G   291_B     74  100  281     78  100  116  127  134  172  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     K   292_B     K   292_B     74  100  281     78  100  116  127  134  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     Q   293_B     Q   293_B     74  100  281     78  100  116  127  151  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     V   294_B     V   294_B     74  100  281     78  100  116  127  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     I   295_B     I   295_B     74  100  281     78  100  116  127  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     T   296_B     T   296_B     74  100  281     78  100  116  127  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     V   297_B     V   297_B     74  100  281     78  100  116  127  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     A   298_B     A   298_B     74  100  281     78  100  116  127  154  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     P   299_B     P   299_B     74  100  281     78  100  116  127  148  190  218  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     D   300_B     D   300_B     74  100  281      3   82  114  127  134  153  191  230  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     G   301_B     G   301_B     74  100  281     40  100  116  127  136  176  216  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     G   302_B     G   302_B     74  100  281     63  100  116  127  134  153  203  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     D   303_B     D   303_B     74  100  281     60  100  116  127  134  162  203  234  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     R   304_B     R   304_B     74  100  281     53   99  116  127  134  141  190  226  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     Y   305_B     Y   305_B     74  100  281     58  100  116  127  134  141  173  225  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     L   306_B     L   306_B     74  100  281     60  100  116  127  134  141  190  226  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     S   307_B     S   307_B     74  100  281     50   97  115  127  134  139  150  186  238  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     T   308_B     T   308_B     74  100  281     11   96  114  127  134  139  148  164  218  246  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     E   309_B     E   309_B     74  100  281     11   50  110  126  134  139  148  164  202  233  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     L   310_B     L   310_B     74  100  281     11   90  112  127  134  139  159  207  238  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     F   311_B     F   311_B     74  100  281     11   96  116  127  134  141  171  207  242  248  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     N   312_B     N   312_B     74  100  281      4   18  110  124  133  139  148  168  210  233  251  258  261  264  270  272  274  275  276  277 
LCS_GDT     Y   313_B     Y   313_B     74   98  281      4   19   30   48  129  138  151  168  206  233  251  258  261  264  270  272  274  275  276  277 
LCS_AVERAGE  LCS_A:  53.26  (  23.14   36.63  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     78    100    116    127    154    190    218    234    242    248    251    258    261    264    270    272    274    275    276    277 
GDT PERCENT_AT  27.76  35.59  41.28  45.20  54.80  67.62  77.58  83.27  86.12  88.26  89.32  91.81  92.88  93.95  96.09  96.80  97.51  97.86  98.22  98.58
GDT RMS_LOCAL    3.59   0.46   0.69   0.84   1.68   1.98   2.23   2.36   2.46   2.56   2.61   2.83   2.92   3.05   3.25   3.34   3.45   3.47   3.53   3.59
GDT RMS_ALL_AT   6.45   6.40   6.12   6.24   4.07   4.04   3.99   4.00   4.01   4.00   4.00   3.97   3.96   3.94   3.93   3.93   3.93   3.93   3.93   3.93

# Checking swapping
#   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:  D   303_B      D   303_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     1.752     0    0.223   1.109     9.054   52.857   32.952
LGA    H     7_B      H     7_B     6.893     0    0.622   1.286    12.226   19.762    8.048
LGA    T     8_B      T     8_B     5.188     0    0.013   0.084     5.627   25.000   26.259
LGA    K     9_B      K     9_B     4.735     4    0.017   0.092     4.817   32.857   18.095
LGA    I    10_B      I    10_B     4.565     0    0.055   0.584     6.979   34.286   29.286
LGA    T    11_B      T    11_B     3.831     0    0.025   0.114     4.058   41.786   43.401
LGA    N    12_B      N    12_B     3.904     0    0.028   1.116     6.553   46.667   38.214
LGA    S    13_B      S    13_B     2.749     0    0.092   0.148     3.181   59.167   58.492
LGA    I    14_B      I    14_B     1.424     0    0.053   0.076     1.949   79.286   81.488
LGA    V    15_B      V    15_B     0.979     0    0.028   0.313     1.933   83.690   80.272
LGA    N    16_B      N    16_B     2.310     0    0.015   0.126     3.397   64.881   58.333
LGA    L    17_B      L    17_B     2.377     0    0.102   0.134     3.054   64.762   61.012
LGA    I    18_B      I    18_B     2.164     0    0.046   0.089     2.925   62.976   69.048
LGA    G    19_B      G    19_B     4.044     0    0.678   0.678     4.587   40.476   40.476
LGA    N    20_B      N    20_B     3.953     0    0.058   0.336     5.165   43.452   41.310
LGA    T    21_B      T    21_B     3.198     0    0.028   0.127     3.960   50.119   48.163
LGA    P    22_B      P    22_B     2.006     0    0.021   0.087     2.339   68.810   69.388
LGA    I    23_B      I    23_B     1.610     0    0.099   0.100     3.099   77.143   68.155
LGA    V    24_B      V    24_B     1.203     0    0.081   1.075     3.630   81.429   72.517
LGA    K    25_B      K    25_B     1.341     0    0.028   0.145     2.697   81.429   73.122
LGA    L    26_B      L    26_B     1.206     0    0.023   0.065     1.624   77.143   81.548
LGA    N    27_B      N    27_B     2.056     0    0.028   0.198     2.718   64.881   67.857
LGA    R    28_B      R    28_B     2.458     0    0.028   1.286     5.334   59.167   55.281
LGA    V    29_B      V    29_B     2.441     0    0.046   0.059     2.530   62.857   64.830
LGA    V    30_B      V    30_B     2.309     0    0.030   1.368     3.664   60.952   58.571
LGA    P    31_B      P    31_B     3.143     0    0.017   0.053     3.324   51.786   52.041
LGA    E    32_B      E    32_B     3.562     4    0.057   0.088     3.901   45.000   24.815
LGA    D    33_B      D    33_B     3.791     0    0.046   0.715     4.058   43.333   47.976
LGA    A    34_B      A    34_B     3.064     0    0.005   0.015     3.336   51.786   52.857
LGA    A    35_B      A    35_B     2.692     0    0.022   0.047     2.839   60.952   60.190
LGA    D    36_B      D    36_B     2.067     0    0.056   0.141     2.894   68.810   63.929
LGA    V    37_B      V    37_B     1.257     0    0.057   0.102     1.611   79.286   81.497
LGA    Y    38_B      Y    38_B     1.293     0    0.029   0.229     3.239   83.690   67.976
LGA    V    39_B      V    39_B     1.086     0    0.053   0.060     1.380   81.429   84.014
LGA    K    40_B      K    40_B     1.950     0    0.033   0.506     4.213   68.810   57.196
LGA    L    41_B      L    41_B     2.118     0    0.056   0.071     2.888   62.857   66.845
LGA    E    42_B      E    42_B     2.585     0    0.115   0.991     5.953   59.048   48.942
LGA    F    43_B      F    43_B     3.311     0    0.022   0.267     4.253   46.905   47.835
LGA    F    44_B      F    44_B     4.365     0    0.221   0.686     6.332   30.952   38.918
LGA    N    45_B      N    45_B     4.481     0    0.098   1.032     5.546   41.905   36.131
LGA    P    46_B      P    46_B     5.623     0    0.031   0.154     7.957   26.548   20.068
LGA    G    47_B      G    47_B     2.437     0    0.161   0.161     5.363   49.762   49.762
LGA    G    48_B      G    48_B     4.079     0    0.095   0.095     5.674   38.214   38.214
LGA    S    49_B      S    49_B     3.303     0    0.062   0.074     3.351   50.000   50.000
LGA    I    50_B      I    50_B     3.299     0    0.180   1.125     5.620   51.786   48.274
LGA    K    51_B      K    51_B     3.363     2    0.155   0.790     3.764   48.333   39.048
LGA    D    52_B      D    52_B     2.547     0    0.031   0.263     3.814   65.000   56.726
LGA    R    53_B      R    53_B     0.759     0    0.104   0.948     7.149   83.690   54.632
LGA    I    54_B      I    54_B     2.224     0    0.090   1.359     5.470   66.786   54.226
LGA    A    55_B      A    55_B     2.568     0    0.056   0.070     2.927   62.857   61.714
LGA    L    56_B      L    56_B     1.405     0    0.048   0.155     1.790   79.286   82.619
LGA    A    57_B      A    57_B     1.348     0    0.078   0.074     1.451   81.429   81.429
LGA    M    58_B      M    58_B     1.616     0    0.091   0.240     2.528   72.857   68.869
LGA    I    59_B      I    59_B     1.299     0    0.038   0.649     2.494   81.429   79.345
LGA    E    60_B      E    60_B     1.248     0    0.008   0.127     1.300   81.429   81.429
LGA    E    61_B      E    61_B     1.236     0    0.028   1.346     4.477   81.429   65.397
LGA    A    62_B      A    62_B     1.237     0    0.020   0.033     1.360   81.429   81.429
LGA    E    63_B      E    63_B     1.422     0    0.014   0.291     1.716   81.429   80.476
LGA    K    64_B      K    64_B     1.426     4    0.038   0.050     1.454   81.429   45.238
LGA    A    65_B      A    65_B     1.182     0    0.070   0.082     1.388   83.690   83.238
LGA    G    66_B      G    66_B     1.374     0    0.137   0.137     1.579   79.286   79.286
LGA    K    67_B      K    67_B     1.229     4    0.066   0.093     1.342   81.429   45.238
LGA    L    68_B      L    68_B     1.349     0    0.058   0.139     1.698   77.143   80.417
LGA    Q    69_B      Q    69_B     2.252     4    0.070   0.126     3.006   70.833   37.037
LGA    A    70_B      A    70_B     1.689     0    0.060   0.072     1.859   72.857   72.857
LGA    G    71_B      G    71_B     1.423     0    0.066   0.066     1.639   79.286   79.286
LGA    G    72_B      G    72_B     1.505     0    0.025   0.025     1.505   79.286   79.286
LGA    T    73_B      T    73_B     1.439     0    0.046   0.068     1.869   79.286   77.755
LGA    I    74_B      I    74_B     1.033     0    0.025   0.108     1.245   83.690   85.952
LGA    V    75_B      V    75_B     1.120     0    0.024   0.099     1.578   85.952   82.789
LGA    E    76_B      E    76_B     0.988     0    0.030   0.195     1.102   83.690   84.444
LGA    P    77_B      P    77_B     1.324     0    0.033   0.081     1.565   81.429   78.980
LGA    T    78_B      T    78_B     1.373     0    0.189   0.355     2.054   77.262   76.599
LGA    S    79_B      S    79_B     1.225     0    0.707   0.635     3.344   73.571   74.762
LGA    G    80_B      G    80_B     1.716     0    0.019   0.019     1.750   75.000   75.000
LGA    N    81_B      N    81_B     2.058     3    0.098   0.125     2.688   64.762   39.524
LGA    T    82_B      T    82_B     2.286     0    0.056   0.185     2.958   68.810   63.810
LGA    G    83_B      G    83_B     1.139     0    0.028   0.028     1.421   83.690   83.690
LGA    V    84_B      V    84_B     1.373     0    0.017   0.105     1.878   81.429   77.755
LGA    G    85_B      G    85_B     1.982     0    0.021   0.021     1.998   72.857   72.857
LGA    L    86_B      L    86_B     1.698     0    0.024   1.334     2.825   72.857   73.095
LGA    A    87_B      A    87_B     1.108     0    0.010   0.028     1.301   81.429   83.238
LGA    M    88_B      M    88_B     1.721     0    0.081   0.963     2.339   75.000   73.988
LGA    V    89_B      V    89_B     2.307     0    0.027   0.036     2.605   64.762   63.673
LGA    A    90_B      A    90_B     1.934     0    0.026   0.047     2.290   70.833   71.238
LGA    A    91_B      A    91_B     1.643     0    0.026   0.039     2.223   68.810   71.333
LGA    A    92_B      A    92_B     2.570     0    0.121   0.113     2.640   59.048   58.667
LGA    K    93_B      K    93_B     2.692     0    0.028   0.714     2.885   57.143   62.434
LGA    G    94_B      G    94_B     2.510     0    0.136   0.136     2.510   62.857   62.857
LGA    Y    95_B      Y    95_B     1.607     0    0.030   0.135     1.854   72.857   75.714
LGA    H    96_B      H    96_B     1.461     0    0.022   1.460     7.004   79.286   51.333
LGA    L    97_B      L    97_B     0.891     0    0.020   0.107     1.015   88.214   90.536
LGA    V    98_B      V    98_B     1.148     0    0.042   0.070     1.325   81.429   81.429
LGA    I    99_B      I    99_B     1.052     0    0.031   0.647     1.946   81.429   82.619
LGA    T   100_B      T   100_B     1.425     0    0.042   0.047     1.608   79.286   76.531
LGA    M   101_B      M   101_B     1.766     0    0.018   0.332     1.986   72.857   75.000
LGA    P   102_B      P   102_B     2.265     0    0.019   0.246     2.367   64.762   65.918
LGA    E   103_B      E   103_B     2.437     0    0.037   0.219     3.579   60.952   55.714
LGA    T   104_B      T   104_B     2.759     0    0.037   0.051     3.145   57.143   55.102
LGA    M   105_B      M   105_B     2.934     0    0.113   1.151     3.978   51.905   57.738
LGA    S   106_B      S   106_B     3.363     0    0.392   0.677     5.454   55.476   46.587
LGA    V   107_B      V   107_B     3.309     0    0.642   0.615     4.524   45.119   40.884
LGA    E   108_B      E   108_B     3.529     0    0.054   1.364     5.947   50.238   39.365
LGA    R   109_B      R   109_B     1.525     4    0.058   0.650     2.156   79.643   51.212
LGA    R   110_B      R   110_B     1.122     0    0.137   0.946     3.388   81.429   72.424
LGA    K   111_B      K   111_B     1.383     0    0.036   0.483     3.573   81.429   70.741
LGA    L   112_B      L   112_B     1.030     0    0.046   1.364     3.914   85.952   71.131
LGA    M   113_B      M   113_B     0.685     0    0.005   0.211     1.509   90.476   88.274
LGA    Q   114_B      Q   114_B     0.569     0    0.026   0.086     1.325   92.857   88.519
LGA    G   115_B      G   115_B     0.589     0    0.021   0.021     0.589   90.476   90.476
LGA    Y   116_B      Y   116_B     0.570     0    0.064   0.096     1.646   90.476   85.992
LGA    G   117_B      G   117_B     0.506     0    0.057   0.057     1.022   90.595   90.595
LGA    A   118_B      A   118_B     0.638     0    0.080   0.096     1.073   88.214   88.667
LGA    E   119_B      E   119_B     1.126     0    0.042   0.616     2.503   83.690   76.878
LGA    L   120_B      L   120_B     1.237     0    0.060   0.340     1.917   77.143   78.274
LGA    I   121_B      I   121_B     1.618     1    0.012   0.052     1.874   75.000   64.821
LGA    L   122_B      L   122_B     1.942     0    0.024   0.068     2.340   68.810   70.833
LGA    T   123_B      T   123_B     2.589     0    0.038   0.061     2.760   59.048   58.231
LGA    P   124_B      P   124_B     3.265     0    0.022   0.117     3.687   50.000   48.095
LGA    G   125_B      G   125_B     3.535     0    0.044   0.044     3.905   45.000   45.000
LGA    A   126_B      A   126_B     4.579     0    0.027   0.053     4.938   35.714   34.857
LGA    D   127_B      D   127_B     3.277     0    0.055   0.434     4.640   51.905   48.690
LGA    G   128_B      G   128_B     2.925     0    0.045   0.045     3.069   55.357   55.357
LGA    M   129_B      M   129_B     2.441     0    0.074   0.546     3.222   62.857   60.060
LGA    K   130_B      K   130_B     2.697     4    0.015   0.076     2.741   57.143   31.746
LGA    G   131_B      G   131_B     2.628     0    0.036   0.036     2.698   60.952   60.952
LGA    A   132_B      A   132_B     1.986     0    0.015   0.035     2.257   70.833   71.238
LGA    I   133_B      I   133_B     1.748     0    0.047   0.093     1.907   72.857   72.857
LGA    A   134_B      A   134_B     2.298     0    0.025   0.044     2.611   64.762   63.238
LGA    K   135_B      K   135_B     2.113     0    0.034   0.657     2.247   64.762   68.519
LGA    A   136_B      A   136_B     1.636     0    0.015   0.025     1.832   72.857   74.571
LGA    E   137_B      E   137_B     1.704     2    0.070   0.133     1.997   72.857   56.667
LGA    E   138_B      E   138_B     2.061     0    0.066   0.759     4.507   68.810   57.407
LGA    L   139_B      L   139_B     1.673     0    0.026   0.115     1.815   72.857   72.857
LGA    V   140_B      V   140_B     1.789     0    0.115   0.148     2.122   72.857   71.701
LGA    K   141_B      K   141_B     2.115     4    0.043   0.067     2.369   64.762   35.979
LGA    E   142_B      E   142_B     1.891     4    0.031   0.096     2.023   70.833   39.577
LGA    K   143_B      K   143_B     1.702     4    0.040   0.055     1.795   72.857   40.476
LGA    G   144_B      G   144_B     1.920     0    0.026   0.026     1.920   72.857   72.857
LGA    Y   145_B      Y   145_B     1.545     0    0.057   0.093     1.762   75.000   77.857
LGA    F   146_B      F   146_B     1.077     0    0.035   0.119     1.186   81.429   85.541
LGA    M   147_B      M   147_B     1.009     0    0.018   0.109     1.134   83.690   84.821
LGA    P   148_B      P   148_B     1.041     0    0.627   0.706     2.493   79.524   81.633
LGA    M   149_B      M   149_B     3.231     3    0.317   0.337     3.792   61.190   36.012
LGA    Q   150_B      Q   150_B     3.187     4    0.702   0.637     5.029   48.571   24.497
LGA    F   151_B      F   151_B     2.834     0    0.086   1.294    11.654   66.905   28.701
LGA    D   152_B      D   152_B     4.255     3    0.155   0.162     6.160   34.405   19.345
LGA    N   153_B      N   153_B     7.249     3    0.106   0.133     8.226   15.833    8.512
LGA    P   154_B      P   154_B     8.204     0    0.218   0.225    10.475    3.095    2.177
LGA    A   155_B      A   155_B    12.769     0    0.576   0.575    14.586    0.000    0.000
LGA    H   160_B      H   160_B    12.378     5    0.632   0.622    13.205    0.000    0.000
LGA    E   161_B      E   161_B     8.558     0    0.167   0.776     9.767    4.405    5.767
LGA    E   162_B      E   162_B     7.062     0    0.152   0.993     7.989   10.119   10.476
LGA    T   163_B      T   163_B     8.774     0    0.126   1.181    10.444    3.333    2.993
LGA    T   164_B      T   164_B     9.606     0    0.062   0.162    10.454    1.548    0.884
LGA    G   165_B      G   165_B     7.546     0    0.043   0.043     8.190    7.976    7.976
LGA    K   166_B      K   166_B     6.778     4    0.022   0.081     7.535   10.238    6.455
LGA    E   167_B      E   167_B     9.179     0    0.081   0.903     9.913    2.024    1.799
LGA    I   168_B      I   168_B     9.351     0    0.022   0.047    10.100    1.786    1.310
LGA    L   169_B      L   169_B     7.688     0    0.023   1.164     8.571    4.881   12.381
LGA    E   170_B      E   170_B     9.202     0    0.050   0.863    10.381    1.190    1.481
LGA    A   171_B      A   171_B    11.111     0    0.073   0.079    11.861    0.000    0.000
LGA    F   172_B      F   172_B    10.089     0    0.122   0.144    10.246    0.000    0.649
LGA    G   173_B      G   173_B    10.702     0    0.658   0.658    10.702    0.119    0.119
LGA    D   174_B      D   174_B    11.484     0    0.137   0.270    14.689    0.000    0.000
LGA    D   175_B      D   175_B     9.283     0    0.257   0.430    10.119    2.738    2.143
LGA    I   176_B      I   176_B     5.380     0    0.084   0.621     7.004   25.595   25.893
LGA    P   177_B      P   177_B     3.311     0    0.137   0.431     4.263   48.571   47.415
LGA    D   178_B      D   178_B     2.776     0    0.036   0.260     4.825   60.952   52.381
LGA    A   179_B      A   179_B     1.929     0    0.056   0.052     2.282   70.833   71.238
LGA    F   180_B      F   180_B     1.675     0    0.011   0.214     2.339   77.143   72.208
LGA    V   181_B      V   181_B     1.159     0    0.019   0.050     1.418   81.429   85.306
LGA    A   182_B      A   182_B     1.716     0    0.099   0.117     2.014   72.857   71.238
LGA    G   183_B      G   183_B     1.603     0    0.122   0.122     1.677   79.405   79.405
LGA    V   184_B      V   184_B     1.827     0    0.167   1.117     3.692   70.833   65.238
LGA    G   185_B      G   185_B     2.414     0    0.092   0.092     3.783   57.738   57.738
LGA    T   186_B      T   186_B     4.937     0    0.059   0.095     6.450   31.905   26.803
LGA    G   187_B      G   187_B     3.367     0    0.087   0.087     3.717   46.667   46.667
LGA    G   188_B      G   188_B     4.574     0    0.115   0.115     4.574   35.714   35.714
LGA    T   189_B      T   189_B     3.927     0    0.034   0.152     4.532   45.000   40.816
LGA    L   190_B      L   190_B     2.345     0    0.031   0.232     2.742   62.857   65.893
LGA    T   191_B      T   191_B     2.701     0    0.076   0.123     3.426   57.143   55.102
LGA    G   192_B      G   192_B     3.518     0    0.013   0.013     3.518   48.333   48.333
LGA    V   193_B      V   193_B     3.200     0    0.047   0.087     3.409   51.786   51.020
LGA    G   194_B      G   194_B     2.352     0    0.047   0.047     2.593   62.857   62.857
LGA    H   195_B      H   195_B     2.750     0    0.022   0.339     3.203   55.357   56.524
LGA    A   196_B      A   196_B     3.517     0    0.043   0.046     3.818   46.667   46.000
LGA    L   197_B      L   197_B     3.076     0    0.020   0.080     3.759   51.786   51.845
LGA    K   198_B      K   198_B     2.580     0    0.082   0.398     2.639   57.143   67.884
LGA    K   199_B      K   199_B     2.940     2    0.086   0.519     4.145   57.143   40.000
LGA    A   200_B      A   200_B     3.175     0    0.020   0.044     3.297   50.000   50.000
LGA    N   201_B      N   201_B     2.951     0    0.029   0.137     3.883   55.357   51.845
LGA    P   202_B      P   202_B     2.244     0    0.099   0.116     2.520   62.857   61.497
LGA    N   203_B      N   203_B     2.265     0    0.033   1.109     3.122   64.762   61.071
LGA    V   204_B      V   204_B     2.309     0    0.042   1.010     4.003   68.810   58.980
LGA    Q   205_B      Q   205_B     1.866     0    0.046   0.931     3.496   70.833   69.418
LGA    I   206_B      I   206_B     1.722     0    0.020   0.055     2.178   72.857   70.833
LGA    Y   207_B      Y   207_B     1.342     0    0.043   0.066     1.484   81.429   82.183
LGA    A   208_B      A   208_B     1.891     0    0.018   0.033     2.180   72.857   71.238
LGA    L   209_B      L   209_B     1.931     0    0.030   0.263     2.665   68.810   68.869
LGA    E   210_B      E   210_B     2.509     0    0.029   0.366     2.614   60.952   65.767
LGA    P   211_B      P   211_B     3.005     0    0.094   0.281     3.347   53.571   53.061
LGA    A   212_B      A   212_B     3.189     0    0.575   0.517     3.284   51.786   51.429
LGA    P   236_B      P   236_B    14.369     0    0.488   0.761    15.527    0.000    0.000
LGA    K   237_B      K   237_B    14.826     0    0.512   1.011    17.321    0.000    0.000
LGA    V   238_B      V   238_B    14.649     0    0.573   0.925    17.085    0.000    0.000
LGA    L   239_B      L   239_B     8.795     0    0.160   1.423    10.900    2.619    8.333
LGA    D   240_B      D   240_B     7.168     0    0.048   1.094     8.242   18.690   13.393
LGA    T   241_B      T   241_B     3.636     0    0.152   0.212     5.610   51.190   40.544
LGA    D   242_B      D   242_B     2.667     0    0.163   0.151     4.204   60.952   53.869
LGA    V   243_B      V   243_B     1.916     0    0.143   0.152     2.206   70.833   75.442
LGA    Y   244_B      Y   244_B     1.452     0    0.076   1.003     5.301   81.548   64.325
LGA    N   245_B      N   245_B     1.290     0    0.025   0.197     1.695   79.286   78.214
LGA    G   246_B      G   246_B     1.441     0    0.072   0.072     1.441   81.429   81.429
LGA    I   247_B      I   247_B     1.172     0    0.045   0.126     1.338   83.690   82.560
LGA    L   248_B      L   248_B     1.056     0    0.062   0.109     1.457   81.429   85.952
LGA    E   249_B      E   249_B     1.992     0    0.132   0.458     3.616   68.810   66.878
LGA    I   250_B      I   250_B     2.596     0    0.036   0.101     3.021   57.262   63.036
LGA    K   251_B      K   251_B     3.448     2    0.031   0.107     3.962   48.333   35.926
LGA    S   252_B      S   252_B     3.843     0    0.013   0.579     5.071   43.333   39.444
LGA    D   253_B      D   253_B     4.109     0    0.026   0.963     7.216   40.238   29.821
LGA    D   254_B      D   254_B     3.235     0    0.031   0.606     4.303   50.119   46.786
LGA    A   255_B      A   255_B     2.874     0    0.058   0.067     3.117   51.786   51.429
LGA    I   256_B      I   256_B     3.751     0    0.012   0.099     4.664   45.000   40.357
LGA    T   257_B      T   257_B     3.637     0    0.027   0.117     4.194   46.667   44.354
LGA    M   258_B      M   258_B     2.585     0    0.012   0.819     3.302   57.143   59.107
LGA    A   259_B      A   259_B     2.782     0    0.056   0.057     3.024   57.143   55.714
LGA    R   260_B      R   260_B     3.362     0    0.025   1.381     9.343   50.000   30.346
LGA    E   261_B      E   261_B     2.862     0    0.023   0.196     3.505   59.167   54.127
LGA    V   262_B      V   262_B     1.851     0    0.010   0.054     2.148   70.833   71.701
LGA    G   263_B      G   263_B     2.285     0    0.067   0.067     2.346   64.762   64.762
LGA    H   264_B      H   264_B     2.721     0    0.106   0.926     5.034   60.952   52.333
LGA    Q   265_B      Q   265_B     2.235     0    0.019   1.058     4.269   68.810   62.857
LGA    E   266_B      E   266_B     1.334     0    0.043   0.134     1.592   79.286   80.476
LGA    G   267_B      G   267_B     1.365     0    0.055   0.055     1.366   81.429   81.429
LGA    I   268_B      I   268_B     1.335     0    0.052   0.116     1.958   77.143   81.548
LGA    L   269_B      L   269_B     2.463     0    0.037   0.113     3.523   62.976   56.548
LGA    V   270_B      V   270_B     2.657     0    0.050   0.058     3.377   53.571   57.279
LGA    G   271_B      G   271_B     3.697     0    0.051   0.051     3.697   46.667   46.667
LGA    I   272_B      I   272_B     3.512     0    0.039   0.228     4.998   48.452   43.750
LGA    S   273_B      S   273_B     2.931     0    0.094   0.534     3.260   55.357   53.571
LGA    A   274_B      A   274_B     2.121     0    0.020   0.051     2.370   68.810   68.000
LGA    G   275_B      G   275_B     2.182     0    0.024   0.024     2.182   66.786   66.786
LGA    A   276_B      A   276_B     2.244     0    0.019   0.032     2.535   68.810   66.476
LGA    N   277_B      N   277_B     1.650     0    0.040   0.095     2.207   77.143   72.976
LGA    I   278_B      I   278_B     1.268     0    0.038   0.106     1.473   81.429   81.429
LGA    K   279_B      K   279_B     1.740     0    0.012   0.211     2.829   72.857   66.667
LGA    G   280_B      G   280_B     1.213     0    0.028   0.028     1.414   83.690   83.690
LGA    A   281_B      A   281_B     0.758     0    0.026   0.043     1.145   88.214   88.667
LGA    I   282_B      I   282_B     1.439     0    0.021   0.068     2.062   75.119   72.976
LGA    E   283_B      E   283_B     1.778     0    0.134   0.986     3.251   70.833   68.519
LGA    V   284_B      V   284_B     1.390     0    0.025   0.058     2.011   75.119   79.116
LGA    A   285_B      A   285_B     1.811     0    0.023   0.053     2.477   68.810   69.619
LGA    K   286_B      K   286_B     2.576     0    0.040   0.424     4.592   57.262   54.339
LGA    K   287_B      K   287_B     2.632     2    0.116   0.197     3.040   57.262   47.937
LGA    L   288_B      L   288_B     2.902     0    0.021   0.176     3.622   51.905   54.583
LGA    G   289_B      G   289_B     3.431     0    0.017   0.017     3.525   48.333   48.333
LGA    K   290_B      K   290_B     3.665     2    0.031   0.378     5.373   41.786   30.423
LGA    G   291_B      G   291_B     3.836     0    0.020   0.020     3.926   43.333   43.333
LGA    K   292_B      K   292_B     3.379     0    0.019   0.620     4.246   51.786   48.783
LGA    Q   293_B      Q   293_B     2.691     0    0.056   0.722     6.076   57.262   43.598
LGA    V   294_B      V   294_B     1.630     0    0.017   0.039     1.882   75.000   77.755
LGA    I   295_B      I   295_B     1.580     0    0.045   1.300     4.269   77.143   70.714
LGA    T   296_B      T   296_B     1.262     0    0.052   0.122     1.428   81.429   82.721
LGA    V   297_B      V   297_B     1.910     0    0.040   0.081     2.065   72.857   69.388
LGA    A   298_B      A   298_B     2.080     0    0.050   0.049     2.736   64.881   66.476
LGA    P   299_B      P   299_B     3.052     0    0.028   0.193     4.157   48.810   53.469
LGA    D   300_B      D   300_B     4.474     0    0.094   0.152     6.445   43.452   35.060
LGA    G   301_B      G   301_B     3.880     0    0.047   0.047     4.366   38.690   38.690
LGA    G   302_B      G   302_B     4.087     0    0.079   0.079     4.419   38.690   38.690
LGA    D   303_B      D   303_B     4.152     0    0.153   0.623     5.311   32.976   35.893
LGA    R   304_B      R   304_B     5.069     6    0.046   0.067     5.606   26.310   12.424
LGA    Y   305_B      Y   305_B     5.322     0    0.079   0.218     5.631   25.000   29.325
LGA    L   306_B      L   306_B     5.260     0    0.026   0.151     5.789   23.810   25.655
LGA    S   307_B      S   307_B     6.704     0    0.145   0.593     7.976   11.905   11.270
LGA    T   308_B      T   308_B     7.085     0    0.013   0.129     7.085   11.667   11.905
LGA    E   309_B      E   309_B     7.382     3    0.127   0.696     8.764   11.667    6.032
LGA    L   310_B      L   310_B     5.828     0    0.058   0.105     6.475   21.548   25.238
LGA    F   311_B      F   311_B     5.508     0    0.391   0.508     5.730   23.929   29.784
LGA    N   312_B      N   312_B     7.492     0    0.505   1.392    10.888   10.000    5.179
LGA    Y   313_B      Y   313_B     7.029     0    0.629   0.478     8.551    8.214   16.389

# 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):     3.917          3.894                  4.162           57.784   54.403

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  313  281    4.0    234    2.36    65.214    61.255     9.510

LGA_LOCAL      RMSD:   2.361  Number of atoms:  234  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   4.002  Number of assigned atoms:  281 
Std_ASGN_ATOMS RMSD:   3.917  Standard rmsd on all 281 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.722373 * X  +   0.203128 * Y  +   0.660996 * Z  +   9.194818
  Y_new =   0.610964 * X  +   0.260230 * Y  +  -0.747665 * Z  +   8.751306
  Z_new =  -0.323883 * X  +   0.943938 * Y  +   0.063879 * Z  +  23.971558 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.702035  0.329831  1.503226   [DEG:   40.2236   18.8979   86.1285 ]
ZXZ:  0.723950  1.506873 -0.330532   [DEG:   41.4793   86.3375  -18.9381 ]
 
# END of job
