
#######################################################
#                                                     #
#                        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       3.88     3.88
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   120      33_B - 152_B       2.00     4.26
  LCS_AVERAGE:     34.06

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    99      51_B - 149_B       1.00     5.25
  LONGEST_CONTINUOUS_SEGMENT:    99      52_B - 150_B       0.97     5.28
  LCS_AVERAGE:     23.02

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   16  281      3   33   74  116  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     H     7_B     H     7_B     14   17  281      5   13   90  109  125  138  165  191  221  243  250  254  258  264  266  271  273  276  276  278 
LCS_GDT     T     8_B     T     8_B     14   17  281     45   75   97  113  129  151  183  218  238  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     K     9_B     K     9_B     14   17  281      4   69   94  110  127  147  178  209  236  248  251  258  262  265  270  272  274  276  276  278 
LCS_GDT     I    10_B     I    10_B     14   17  281     29   75   97  115  134  166  198  229  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     T    11_B     T    11_B     14   17  281      7   73   97  117  141  180  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     N    12_B     N    12_B     14   17  281      7   18   96  117  141  180  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     S    13_B     S    13_B     14   33  281      7   28   97  117  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     I    14_B     I    14_B     14   34  281     46   77   97  117  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     V    15_B     V    15_B     14   54  281     28   74   97  117  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     N    16_B     N    16_B     14   54  281     50   77   97  117  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     L    17_B     L    17_B     14   54  281     11   77   97  117  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     I    18_B     I    18_B     29   54  281      6   65  107  126  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     G    19_B     G    19_B     29   54  281      5   42  114  129  135  149  208  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     N    20_B     N    20_B     29   54  281      3   97  116  129  135  157  208  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     T    21_B     T    21_B     29   54  281     66  103  116  129  136  177  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     P    22_B     P    22_B     29   54  281     74  103  116  129  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     I    23_B     I    23_B     29   54  281     63  103  116  129  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     V    24_B     V    24_B     29   54  281     73  103  116  129  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     K    25_B     K    25_B     29   54  281     77  103  116  129  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     L    26_B     L    26_B     29   54  281     77  103  116  129  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     N    27_B     N    27_B     29   54  281     77  103  116  129  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     R    28_B     R    28_B     29   54  281     77  103  116  129  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     V    29_B     V    29_B     29   54  281     77  103  116  129  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     V    30_B     V    30_B     29   54  281     77  103  116  129  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     P    31_B     P    31_B     29   54  281     77  103  116  129  150  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     E    32_B     E    32_B     29  118  281     66  103  116  129  149  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     D    33_B     D    33_B     29  120  281     77  103  116  129  135  175  214  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     A    34_B     A    34_B     29  120  281     77  103  116  129  140  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     A    35_B     A    35_B     29  120  281     77  103  116  129  150  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     D    36_B     D    36_B     29  120  281     77  103  116  129  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     V    37_B     V    37_B     29  120  281     77  103  116  129  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     Y    38_B     Y    38_B     29  120  281     77  103  116  129  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     V    39_B     V    39_B     29  120  281     77  103  116  129  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     K    40_B     K    40_B     29  120  281     77  103  116  129  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     L    41_B     L    41_B     29  120  281     77  103  116  129  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     E    42_B     E    42_B     29  120  281     74  103  116  129  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     F    43_B     F    43_B     29  120  281     49  103  116  129  138  180  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     F    44_B     F    44_B     29  120  281      4   87  115  129  135  150  189  228  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     N    45_B     N    45_B     29  120  281     51   94  115  129  135  140  188  228  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     P    46_B     P    46_B     29  120  281      4   19   55  127  134  140  149  187  229  244  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     G    47_B     G    47_B     33  120  281     27   71   94  115  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     G    48_B     G    48_B     33  120  281      4   10   27   72  104  165  207  227  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     S    49_B     S    49_B     33  120  281      4   19   55   88  131  185  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     I    50_B     I    50_B     33  120  281      3   19   54   87  131  185  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     K    51_B     K    51_B     99  120  281      7   22   57   92  131  185  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     D    52_B     D    52_B     99  120  281     30   72   95  115  155  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     R    53_B     R    53_B     99  120  281     13   65   93  117  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     I    54_B     I    54_B     99  120  281      8   33   75  116  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     A    55_B     A    55_B     99  120  281     10   46   86  114  152  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     L    56_B     L    56_B     99  120  281     51   77   97  117  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     A    57_B     A    57_B     99  120  281     13   65   96  117  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     M    58_B     M    58_B     99  120  281     16   58   96  117  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     I    59_B     I    59_B     99  120  281     39   77   97  117  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     E    60_B     E    60_B     99  120  281     37   77   97  117  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     E    61_B     E    61_B     99  120  281     27   73   97  117  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     A    62_B     A    62_B     99  120  281     46   77   97  117  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     E    63_B     E    63_B     99  120  281     47   77   97  117  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     K    64_B     K    64_B     99  120  281     37   77   97  117  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     A    65_B     A    65_B     99  120  281     48   77   97  117  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     G    66_B     G    66_B     99  120  281     50   77   97  117  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     K    67_B     K    67_B     99  120  281     52   77   97  117  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     L    68_B     L    68_B     99  120  281     52   77   97  117  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     Q    69_B     Q    69_B     99  120  281     53   77   97  117  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     A    70_B     A    70_B     99  120  281     53   77   97  117  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     G    71_B     G    71_B     99  120  281     53   77   97  117  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     G    72_B     G    72_B     99  120  281     53   77   97  117  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     T    73_B     T    73_B     99  120  281     53   77   97  117  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     I    74_B     I    74_B     99  120  281     53   77   97  117  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     V    75_B     V    75_B     99  120  281     53   77   97  117  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     E    76_B     E    76_B     99  120  281     53   77   97  117  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     P    77_B     P    77_B     99  120  281     53   77   97  117  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     T    78_B     T    78_B     99  120  281     51   77   97  117  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     S    79_B     S    79_B     99  120  281     29   69   97  117  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     G    80_B     G    80_B     99  120  281     16   58   97  117  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     N    81_B     N    81_B     99  120  281     16   54  107  125  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     T    82_B     T    82_B     99  120  281     19   58  106  125  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     G    83_B     G    83_B     99  120  281     19   75   97  117  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     V    84_B     V    84_B     99  120  281     26   75   97  117  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     G    85_B     G    85_B     99  120  281     26   75   97  117  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     L    86_B     L    86_B     99  120  281     26   75   97  117  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     A    87_B     A    87_B     99  120  281     46   77   97  117  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     M    88_B     M    88_B     99  120  281     46   77   97  117  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     V    89_B     V    89_B     99  120  281     43   75   97  117  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     A    90_B     A    90_B     99  120  281     45   75   97  117  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     A    91_B     A    91_B     99  120  281     53   77   97  117  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     A    92_B     A    92_B     99  120  281     45   75   97  117  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     K    93_B     K    93_B     99  120  281     43   75   97  117  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     G    94_B     G    94_B     99  120  281     49   77   97  117  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     Y    95_B     Y    95_B     99  120  281     53   77   97  117  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     H    96_B     H    96_B     99  120  281     53   77   97  117  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     L    97_B     L    97_B     99  120  281     53   77   97  117  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     V    98_B     V    98_B     99  120  281     53   77   97  117  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     I    99_B     I    99_B     99  120  281     53   77   97  117  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     T   100_B     T   100_B     99  120  281     53   77   97  117  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     M   101_B     M   101_B     99  120  281     53   77   97  117  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     P   102_B     P   102_B     99  120  281     53   77   97  117  153  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     E   103_B     E   103_B     99  120  281     53   77   97  117  151  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     T   104_B     T   104_B     99  120  281     53   77   97  117  151  189  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     M   105_B     M   105_B     99  120  281     33   77   97  117  151  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     S   106_B     S   106_B     99  120  281      3   36   97  117  151  189  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     V   107_B     V   107_B     99  120  281     10   69   90  117  151  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     E   108_B     E   108_B     99  120  281      4   32   85  109  131  165  210  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     R   109_B     R   109_B     99  120  281      4   58   97  117  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     R   110_B     R   110_B     99  120  281     53   77   97  117  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     K   111_B     K   111_B     99  120  281     46   77   97  117  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     L   112_B     L   112_B     99  120  281     46   77   97  117  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     M   113_B     M   113_B     99  120  281     53   77   97  117  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     Q   114_B     Q   114_B     99  120  281     53   77   97  117  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     G   115_B     G   115_B     99  120  281     53   77   97  117  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     Y   116_B     Y   116_B     99  120  281     53   77   97  117  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     G   117_B     G   117_B     99  120  281     53   77   97  117  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     A   118_B     A   118_B     99  120  281     53   77   97  117  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     E   119_B     E   119_B     99  120  281     53   77   97  117  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     L   120_B     L   120_B     99  120  281     53   77   97  117  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     I   121_B     I   121_B     99  120  281     53   77   97  117  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     L   122_B     L   122_B     99  120  281     53   77   97  117  154  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     T   123_B     T   123_B     99  120  281     53   77   97  117  151  189  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     P   124_B     P   124_B     99  120  281     42   77   97  117  148  177  210  229  240  248  251  258  262  265  270  272  274  276  276  278 
LCS_GDT     G   125_B     G   125_B     99  120  281     49   77   97  117  144  177  210  229  240  248  251  258  262  265  270  272  274  276  276  278 
LCS_GDT     A   126_B     A   126_B     99  120  281     25   75   97  115  136  162  191  219  238  248  251  255  262  265  270  272  274  276  276  278 
LCS_GDT     D   127_B     D   127_B     99  120  281     53   77   97  117  149  177  212  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     G   128_B     G   128_B     99  120  281     53   77   97  117  149  185  215  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     M   129_B     M   129_B     99  120  281     53   77   97  117  151  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     K   130_B     K   130_B     99  120  281     53   77   97  117  150  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     G   131_B     G   131_B     99  120  281     53   77   97  117  151  189  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     A   132_B     A   132_B     99  120  281     53   77   97  117  155  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     I   133_B     I   133_B     99  120  281     53   77   97  117  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     A   134_B     A   134_B     99  120  281     53   77   97  117  154  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     K   135_B     K   135_B     99  120  281     53   77   97  117  154  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     A   136_B     A   136_B     99  120  281     53   77   97  117  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     E   137_B     E   137_B     99  120  281     53   77   97  117  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     E   138_B     E   138_B     99  120  281     53   77   97  117  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     L   139_B     L   139_B     99  120  281     53   77   97  117  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     V   140_B     V   140_B     99  120  281     53   77   97  117  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     K   141_B     K   141_B     99  120  281     53   77   97  117  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     E   142_B     E   142_B     99  120  281     52   77   97  117  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     K   143_B     K   143_B     99  120  281     53   77   97  117  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     G   144_B     G   144_B     99  120  281     53   77   97  117  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     Y   145_B     Y   145_B     99  120  281     53   77   97  117  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     F   146_B     F   146_B     99  120  281     53   77   97  117  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     M   147_B     M   147_B     99  120  281     53   77   97  117  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     P   148_B     P   148_B     99  120  281     53   77   97  117  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     M   149_B     M   149_B     99  120  281      3   27   72  113  151  190  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     Q   150_B     Q   150_B     99  120  281      9   37   81  108  149  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     F   151_B     F   151_B     96  120  281      3    9   38   87  144  187  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     D   152_B     D   152_B      6  120  281      4   30   48   77  107  154  202  229  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     N   153_B     N   153_B      6  119  281      4    6   30   50   71   98  140  147  170  223  246  258  262  265  270  272  274  276  276  278 
LCS_GDT     P   154_B     P   154_B      6  119  281      4   16   34   48   55   89  104  141  199  215  240  253  261  265  270  272  274  276  276  278 
LCS_GDT     A   155_B     A   155_B      6  111  281      4    6    6    6    9   11   24   33   72   82   99  119  154  187  231  241  263  271  276  278 
LCS_GDT     H   160_B     H   160_B      4   18  281      3    4    5    7   17   20   26   27   33   44   54   68   99  155  232  257  268  272  276  278 
LCS_GDT     E   161_B     E   161_B      4   18  281      3    4    5   16   21   32   57  101  162  204  231  245  254  265  270  272  274  276  276  278 
LCS_GDT     E   162_B     E   162_B     12   18  281      3    6   17   35   57   76  111  183  207  228  245  254  262  265  270  272  274  276  276  278 
LCS_GDT     T   163_B     T   163_B     12   18  281      7   11   14   19   35   60   84  113  162  201  231  242  256  265  270  272  274  276  276  278 
LCS_GDT     T   164_B     T   164_B     12   18  281      9   11   14   19   22   29   48   76  109  168  213  232  251  261  267  272  274  276  276  278 
LCS_GDT     G   165_B     G   165_B     12   18  281      9   11   14   21   46   67   91  139  207  224  242  254  262  265  270  272  274  276  276  278 
LCS_GDT     K   166_B     K   166_B     12   18  281      9   11   14   33   52   83  125  176  215  241  250  258  262  265  270  272  274  276  276  278 
LCS_GDT     E   167_B     E   167_B     12   18  281      9   11   30   46   54   79  110  140  149  175  221  245  258  265  270  272  274  276  276  278 
LCS_GDT     I   168_B     I   168_B     12   45  281      9   11   14   23   48   71   97  131  146  156  184  232  253  265  270  272  274  276  276  278 
LCS_GDT     L   169_B     L   169_B     12   45  281      9   15   40   98  127  139  142  148  169  216  247  256  262  265  270  272  274  276  276  278 
LCS_GDT     E   170_B     E   170_B     12   45  281      9   22   54   94  122  139  141  146  152  168  191  238  254  265  270  272  274  276  276  278 
LCS_GDT     A   171_B     A   171_B     12   45  281      9   11   14   36   60  100  121  138  146  151  156  172  212  246  255  269  274  276  276  278 
LCS_GDT     F   172_B     F   172_B     12   45  281      9   11   14   32   68  102  126  142  146  151  160  187  228  256  267  272  274  276  276  278 
LCS_GDT     G   173_B     G   173_B     12   45  281      6   11   13   39   67   94  127  140  146  151  160  165  203  246  261  269  274  276  276  278 
LCS_GDT     D   174_B     D   174_B      5   45  281      4    6   14   32   53   82  116  140  146  151  155  165  179  207  255  264  272  276  276  278 
LCS_GDT     D   175_B     D   175_B      5   45  281      4    9   14   39   68  113  134  142  147  152  176  238  248  261  270  272  274  276  276  278 
LCS_GDT     I   176_B     I   176_B     37   45  281      6   88  109  129  135  140  155  212  238  247  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     P   177_B     P   177_B     37   45  281     66  103  116  129  147  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     D   178_B     D   178_B     37   45  281     77  103  116  129  150  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     A   179_B     A   179_B     37   45  281     77  103  116  129  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     F   180_B     F   180_B     37   45  281     77  103  116  129  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     V   181_B     V   181_B     37   45  281     77  103  116  129  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     A   182_B     A   182_B     37   45  281     77  103  116  129  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     G   183_B     G   183_B     37   45  281     23   96  116  129  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     V   184_B     V   184_B     37   45  281     19   91  116  129  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     G   185_B     G   185_B     37   45  281     17   74  107  126  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     T   186_B     T   186_B     37   45  281      7   29   52  104  132  140  168  215  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     G   187_B     G   187_B     37   45  281      7   41  110  128  143  189  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     G   188_B     G   188_B     37   45  281      7   64   85  107  132  151  195  229  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     T   189_B     T   189_B     37   45  281      7   31   65  109  139  189  215  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     L   190_B     L   190_B     37   45  281     15   53  116  129  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     T   191_B     T   191_B     37   45  281     52   77  116  129  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     G   192_B     G   192_B     37   98  281     17   49  108  126  149  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     V   193_B     V   193_B     37   98  281     17   52  113  129  151  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     G   194_B     G   194_B     37   98  281     17   65  116  129  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     H   195_B     H   195_B     37   98  281     17   65  116  129  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     A   196_B     A   196_B     37   98  281     15   81  116  129  149  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     L   197_B     L   197_B     37   98  281     17  103  116  129  149  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     K   198_B     K   198_B     37   98  281     14   98  116  129  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     K   199_B     K   199_B     37   98  281     14   96  116  129  149  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     A   200_B     A   200_B     37   98  281     44  103  116  129  149  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     N   201_B     N   201_B     37   98  281     53  103  116  129  149  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     P   202_B     P   202_B     37   98  281     27  100  116  129  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     N   203_B     N   203_B     37   98  281     44  103  116  129  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     V   204_B     V   204_B     37   98  281     77  103  116  129  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     Q   205_B     Q   205_B     37   98  281     77  103  116  129  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     I   206_B     I   206_B     37   98  281     77  103  116  129  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     Y   207_B     Y   207_B     37   98  281     77  103  116  129  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     A   208_B     A   208_B     37   98  281     77  103  116  129  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     L   209_B     L   209_B     37   98  281     69  103  116  129  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     E   210_B     E   210_B     37   98  281     77  103  116  129  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     P   211_B     P   211_B     37   98  281     43   94  116  129  149  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     A   212_B     A   212_B     37   98  281     27   87  114  129  149  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     P   236_B     P   236_B      3   98  281      0    3    3    7    9   22   32   49   78  134  147  150  155  161  175  186  194  221  264  272 
LCS_GDT     K   237_B     K   237_B      3   98  281      0    3    3    4    4   34   46   64   81   94  113  148  153  161  174  198  220  255  264  272 
LCS_GDT     V   238_B     V   238_B      5   98  281      4    5    6   10   15   28   33   50   84   97  113  127  153  161  170  184  208  217  264  272 
LCS_GDT     L   239_B     L   239_B      5   98  281      4    7   13   32   76  116  136  142  161  173  196  211  248  263  270  272  274  276  276  278 
LCS_GDT     D   240_B     D   240_B     74   98  281      4   11   74  101  129  139  161  184  205  242  250  258  262  265  270  272  274  276  276  278 
LCS_GDT     T   241_B     T   241_B     74   98  281      6   65  104  128  143  180  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     D   242_B     D   242_B     74   98  281     57  103  116  129  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     V   243_B     V   243_B     74   98  281     25   96  116  129  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     Y   244_B     Y   244_B     74   98  281     26  103  116  129  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     N   245_B     N   245_B     74   98  281     42  103  116  129  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     G   246_B     G   246_B     74   98  281     77  103  116  129  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     I   247_B     I   247_B     74   98  281     69  103  116  129  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     L   248_B     L   248_B     74   98  281     69  103  116  129  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     E   249_B     E   249_B     74   98  281     69  103  116  129  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     I   250_B     I   250_B     74   98  281     77  103  116  129  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     K   251_B     K   251_B     74   98  281     77  103  116  129  135  183  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     S   252_B     S   252_B     74   98  281     77  103  116  129  135  157  212  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     D   253_B     D   253_B     74   98  281     77  103  116  129  135  154  197  229  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     D   254_B     D   254_B     74   98  281     77  103  116  129  135  186  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     A   255_B     A   255_B     74   98  281     77  103  116  129  149  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     I   256_B     I   256_B     74   98  281     77  103  116  129  135  157  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     T   257_B     T   257_B     74   98  281     77  103  116  129  135  175  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     M   258_B     M   258_B     74   98  281     77  103  116  129  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     A   259_B     A   259_B     74   98  281     77  103  116  129  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     R   260_B     R   260_B     74   98  281     77  103  116  129  135  186  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     E   261_B     E   261_B     74   98  281     77  103  116  129  153  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     V   262_B     V   262_B     74   98  281     77  103  116  129  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     G   263_B     G   263_B     74   98  281     77  103  116  129  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     H   264_B     H   264_B     74   98  281     77  103  116  129  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     Q   265_B     Q   265_B     74   98  281     77  103  116  129  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     E   266_B     E   266_B     74   98  281     77  103  116  129  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     G   267_B     G   267_B     74   98  281     77  103  116  129  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     I   268_B     I   268_B     74   98  281     77  103  116  129  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     L   269_B     L   269_B     74   98  281     77  103  116  129  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     V   270_B     V   270_B     74   98  281     77  103  116  129  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     G   271_B     G   271_B     74   98  281     77  103  116  129  135  172  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     I   272_B     I   272_B     74   98  281     77  103  116  129  135  176  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     S   273_B     S   273_B     74   98  281     77  103  116  129  149  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     A   274_B     A   274_B     74   98  281     77  103  116  129  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     G   275_B     G   275_B     74   98  281     77  103  116  129  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     A   276_B     A   276_B     74   98  281     77  103  116  129  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     N   277_B     N   277_B     74   98  281     77  103  116  129  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     I   278_B     I   278_B     74   98  281     77  103  116  129  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     K   279_B     K   279_B     74   98  281     77  103  116  129  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     G   280_B     G   280_B     74   98  281     77  103  116  129  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     A   281_B     A   281_B     74   98  281     77  103  116  129  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     I   282_B     I   282_B     74   98  281     77  103  116  129  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     E   283_B     E   283_B     74   98  281     77  103  116  129  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     V   284_B     V   284_B     74   98  281     77  103  116  129  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     A   285_B     A   285_B     74   98  281     77  103  116  129  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     K   286_B     K   286_B     74   98  281     77  103  116  129  153  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     K   287_B     K   287_B     74   98  281     77  103  116  129  150  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     L   288_B     L   288_B     74   98  281     77  103  116  129  149  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     G   289_B     G   289_B     74   98  281     77  103  116  129  135  191  215  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     K   290_B     K   290_B     74   98  281     77  103  116  129  135  167  214  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     G   291_B     G   291_B     74   98  281     59  103  116  129  135  158  207  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     K   292_B     K   292_B     74   98  281     77  103  116  129  135  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     Q   293_B     Q   293_B     74   98  281     77  103  116  129  150  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     V   294_B     V   294_B     74   98  281     77  103  116  129  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     I   295_B     I   295_B     74   98  281     77  103  116  129  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     T   296_B     T   296_B     74   98  281     77  103  116  129  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     V   297_B     V   297_B     74   98  281     77  103  116  129  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     A   298_B     A   298_B     74   98  281     77  103  116  129  157  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     P   299_B     P   299_B     74   98  281     77  103  116  129  150  191  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     D   300_B     D   300_B     74   98  281     19   90  115  129  135  147  189  229  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     G   301_B     G   301_B     74   98  281     61  103  116  129  135  173  217  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     G   302_B     G   302_B     74   98  281     66  103  116  129  135  146  205  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     D   303_B     D   303_B     74   98  281     64  103  116  129  135  149  205  230  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     R   304_B     R   304_B     74   98  281     61  103  116  129  135  144  189  218  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     Y   305_B     Y   305_B     74   98  281     61  103  116  129  135  143  189  217  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     L   306_B     L   306_B     74   98  281     41  103  116  129  135  143  189  217  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     S   307_B     S   307_B     74   98  281     46   97  115  129  135  140  152  193  232  243  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     T   308_B     T   308_B     74   98  281      8   97  115  129  135  140  152  186  221  243  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     E   309_B     E   309_B     74   98  281     14   93  113  129  135  140  152  179  207  241  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     L   310_B     L   310_B     74   98  281     43   95  115  129  135  142  166  213  236  247  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     F   311_B     F   311_B     74   98  281     69  103  116  129  135  143  175  213  240  248  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     N   312_B     N   312_B     74   98  281      3   93  111  129  135  140  156  186  214  241  252  258  262  265  270  272  274  276  276  278 
LCS_GDT     Y   313_B     Y   313_B     74   98  281      3   19   35   93  135  139  157  196  214  242  252  258  262  265  270  272  274  276  276  278 
LCS_AVERAGE  LCS_A:  52.36  (  23.02   34.06  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    103    116    129    157    191    217    230    240    248    252    258    262    265    270    272    274    276    276    278 
GDT PERCENT_AT  27.40  36.65  41.28  45.91  55.87  67.97  77.22  81.85  85.41  88.26  89.68  91.81  93.24  94.31  96.09  96.80  97.51  98.22  98.22  98.93
GDT RMS_LOCAL    0.28   0.48   0.68   0.85   1.71   1.97   2.19   2.33   2.44   2.57   2.70   2.82   2.92   3.04   3.23   3.32   3.42   3.49   3.49   3.63
GDT RMS_ALL_AT   6.33   6.28   6.02   6.21   4.02   3.98   3.98   3.97   3.96   3.96   3.95   3.94   3.93   3.91   3.90   3.90   3.89   3.89   3.89   3.89

# Checking swapping
#   possible swapping detected:  D    33_B      D    33_B
#   possible swapping detected:  F    43_B      F    43_B
#   possible swapping detected:  E    76_B      E    76_B
#   possible swapping detected:  Y    95_B      Y    95_B
#   possible swapping detected:  E   103_B      E   103_B
#   possible swapping detected:  E   108_B      E   108_B
#   possible swapping detected:  E   119_B      E   119_B
#   possible swapping detected:  F   151_B      F   151_B
#   possible swapping detected:  E   161_B      E   161_B
#   possible swapping detected:  E   170_B      E   170_B
#   possible swapping detected:  F   172_B      F   172_B
#   possible swapping detected:  D   240_B      D   240_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   261_B      E   261_B
#   possible swapping detected:  E   266_B      E   266_B
#   possible swapping detected:  D   300_B      D   300_B
#   possible swapping detected:  D   303_B      D   303_B
#   possible swapping detected:  Y   313_B      Y   313_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    H     6_B      H     6_B     1.807     0    0.054   1.067     8.761   47.857   31.286
LGA    H     7_B      H     7_B     6.630     0    0.603   1.289    11.554   21.190    8.810
LGA    T     8_B      T     8_B     5.463     0    0.021   0.053     5.818   22.619   24.898
LGA    K     9_B      K     9_B     5.604     4    0.112   0.109     5.909   29.048   15.291
LGA    I    10_B      I    10_B     4.599     0    0.056   0.584     7.002   31.548   27.500
LGA    T    11_B      T    11_B     3.726     0    0.071   0.084     3.924   43.333   45.238
LGA    N    12_B      N    12_B     3.641     0    0.030   1.061     5.913   46.667   38.512
LGA    S    13_B      S    13_B     2.618     0    0.057   0.078     3.017   59.167   59.762
LGA    I    14_B      I    14_B     1.410     0    0.038   0.098     1.864   79.286   82.619
LGA    V    15_B      V    15_B     0.944     0    0.090   0.322     1.932   83.690   80.272
LGA    N    16_B      N    16_B     2.421     0    0.035   0.066     3.482   62.976   58.274
LGA    L    17_B      L    17_B     2.539     0    0.129   1.213     4.308   60.952   56.607
LGA    I    18_B      I    18_B     2.320     0    0.050   0.094     2.948   60.952   68.036
LGA    G    19_B      G    19_B     4.168     0    0.685   0.685     4.680   37.262   37.262
LGA    N    20_B      N    20_B     4.075     0    0.073   0.217     4.892   41.905   40.357
LGA    T    21_B      T    21_B     3.521     0    0.028   0.116     4.193   46.667   44.354
LGA    P    22_B      P    22_B     2.242     0    0.033   0.069     2.656   62.857   65.986
LGA    I    23_B      I    23_B     1.578     0    0.075   0.118     2.977   77.143   71.012
LGA    V    24_B      V    24_B     1.077     0    0.071   1.325     3.672   85.952   78.571
LGA    K    25_B      K    25_B     1.153     0    0.028   0.607     3.545   81.429   73.386
LGA    L    26_B      L    26_B     1.027     0    0.028   1.279     3.203   81.548   76.607
LGA    N    27_B      N    27_B     1.902     0    0.035   0.146     2.696   69.048   69.940
LGA    R    28_B      R    28_B     2.323     0    0.090   1.462     8.289   59.167   46.580
LGA    V    29_B      V    29_B     2.419     0    0.035   0.061     2.536   62.857   64.830
LGA    V    30_B      V    30_B     2.270     0    0.036   0.278     2.499   64.762   65.918
LGA    P    31_B      P    31_B     2.875     0    0.028   0.078     3.020   57.143   57.211
LGA    E    32_B      E    32_B     3.123     4    0.027   0.057     3.342   50.000   27.778
LGA    D    33_B      D    33_B     3.784     0    0.040   0.573     5.121   43.333   39.643
LGA    A    34_B      A    34_B     3.021     0    0.023   0.030     3.248   51.786   52.857
LGA    A    35_B      A    35_B     2.636     0    0.044   0.052     2.837   62.976   63.333
LGA    D    36_B      D    36_B     2.024     0    0.034   0.144     3.177   68.810   63.036
LGA    V    37_B      V    37_B     1.100     0    0.047   1.355     3.064   83.690   77.143
LGA    Y    38_B      Y    38_B     1.139     0    0.013   0.259     3.454   85.952   68.929
LGA    V    39_B      V    39_B     1.049     0    0.024   1.328     2.700   83.690   77.075
LGA    K    40_B      K    40_B     1.918     0    0.021   0.115     3.924   70.952   60.265
LGA    L    41_B      L    41_B     2.140     0    0.090   1.254     3.218   61.190   61.190
LGA    E    42_B      E    42_B     2.719     0    0.126   1.212     6.517   55.476   47.937
LGA    F    43_B      F    43_B     3.572     0    0.065   0.331     4.507   43.452   44.242
LGA    F    44_B      F    44_B     4.535     0    0.240   0.677     6.516   27.024   35.152
LGA    N    45_B      N    45_B     4.595     0    0.099   1.021     5.468   37.262   35.833
LGA    P    46_B      P    46_B     5.977     0    0.036   0.271     7.895   26.548   19.116
LGA    G    47_B      G    47_B     2.319     0    0.209   0.209     5.375   51.429   51.429
LGA    G    48_B      G    48_B     4.037     0    0.044   0.044     5.570   38.214   38.214
LGA    S    49_B      S    49_B     3.361     0    0.063   0.074     3.425   50.000   50.000
LGA    I    50_B      I    50_B     3.385     0    0.160   1.168     5.499   51.786   49.821
LGA    K    51_B      K    51_B     3.349     2    0.188   0.813     3.746   48.333   39.048
LGA    D    52_B      D    52_B     2.583     0    0.055   0.243     4.134   65.000   55.119
LGA    R    53_B      R    53_B     0.769     0    0.110   0.888     6.906   83.690   54.935
LGA    I    54_B      I    54_B     2.218     0    0.113   1.318     5.600   64.881   53.631
LGA    A    55_B      A    55_B     2.563     0    0.046   0.068     3.002   62.857   60.286
LGA    L    56_B      L    56_B     1.409     0    0.022   0.133     1.754   79.286   83.750
LGA    A    57_B      A    57_B     1.420     0    0.060   0.060     1.568   79.286   78.000
LGA    M    58_B      M    58_B     1.834     0    0.057   0.319     2.856   72.857   66.905
LGA    I    59_B      I    59_B     1.548     0    0.018   0.132     2.104   77.143   75.060
LGA    E    60_B      E    60_B     1.467     0    0.015   0.201     1.507   79.286   82.487
LGA    E    61_B      E    61_B     1.550     0    0.025   1.047     3.553   72.857   66.138
LGA    A    62_B      A    62_B     1.499     0    0.042   0.048     1.577   77.143   76.286
LGA    E    63_B      E    63_B     1.493     0    0.068   0.222     1.811   81.429   78.571
LGA    K    64_B      K    64_B     1.608     4    0.067   0.071     1.608   72.857   40.476
LGA    A    65_B      A    65_B     1.584     0    0.108   0.116     1.936   77.143   76.286
LGA    G    66_B      G    66_B     1.566     0    0.159   0.159     1.640   77.143   77.143
LGA    K    67_B      K    67_B     1.527     4    0.051   0.082     1.735   72.857   40.476
LGA    L    68_B      L    68_B     1.417     0    0.068   0.172     1.900   77.143   79.286
LGA    Q    69_B      Q    69_B     2.070     4    0.031   0.052     2.508   70.833   37.831
LGA    A    70_B      A    70_B     2.135     0    0.061   0.083     2.568   64.762   63.238
LGA    G    71_B      G    71_B     1.877     0    0.070   0.070     2.037   70.833   70.833
LGA    G    72_B      G    72_B     1.556     0    0.044   0.044     1.638   75.000   75.000
LGA    T    73_B      T    73_B     1.461     0    0.042   0.066     1.808   79.286   77.755
LGA    I    74_B      I    74_B     1.017     0    0.031   0.108     1.334   83.690   85.952
LGA    V    75_B      V    75_B     1.097     0    0.026   0.120     1.598   88.214   84.082
LGA    E    76_B      E    76_B     0.888     0    0.047   0.204     1.239   85.952   90.582
LGA    P    77_B      P    77_B     1.431     0    0.074   0.121     1.784   81.429   78.980
LGA    T    78_B      T    78_B     1.501     0    0.163   0.408     1.961   77.143   76.531
LGA    S    79_B      S    79_B     1.297     0    0.693   0.631     3.170   73.571   73.333
LGA    G    80_B      G    80_B     1.899     0    0.041   0.041     1.899   75.000   75.000
LGA    N    81_B      N    81_B     2.116     3    0.073   0.092     2.811   64.762   39.524
LGA    T    82_B      T    82_B     2.247     0    0.075   0.139     2.900   68.810   63.810
LGA    G    83_B      G    83_B     1.088     0    0.035   0.035     1.395   83.690   83.690
LGA    V    84_B      V    84_B     1.291     0    0.043   1.325     3.933   81.429   73.537
LGA    G    85_B      G    85_B     1.872     0    0.035   0.035     1.887   72.857   72.857
LGA    L    86_B      L    86_B     1.592     0    0.041   0.566     1.592   75.000   80.536
LGA    A    87_B      A    87_B     0.938     0    0.048   0.049     1.161   83.690   85.048
LGA    M    88_B      M    88_B     1.541     0    0.070   0.736     2.186   75.000   71.905
LGA    V    89_B      V    89_B     2.177     0    0.048   1.333     4.737   66.786   62.313
LGA    A    90_B      A    90_B     1.698     0    0.056   0.058     2.136   70.833   72.952
LGA    A    91_B      A    91_B     1.472     0    0.025   0.030     2.110   75.119   76.381
LGA    A    92_B      A    92_B     2.439     0    0.096   0.092     2.623   60.952   60.190
LGA    K    93_B      K    93_B     2.627     0    0.048   0.679     2.842   59.048   64.180
LGA    G    94_B      G    94_B     2.330     0    0.074   0.074     2.330   64.762   64.762
LGA    Y    95_B      Y    95_B     1.475     0    0.097   0.161     1.763   77.143   80.000
LGA    H    96_B      H    96_B     1.220     0    0.054   1.036     2.575   81.429   74.810
LGA    L    97_B      L    97_B     0.955     0    0.025   0.135     1.055   83.690   87.083
LGA    V    98_B      V    98_B     1.274     0    0.022   1.335     3.781   81.429   75.986
LGA    I    99_B      I    99_B     1.106     0    0.020   0.656     2.152   79.286   79.405
LGA    T   100_B      T   100_B     1.578     0    0.020   0.072     1.830   75.000   74.082
LGA    M   101_B      M   101_B     1.925     0    0.027   0.683     2.432   68.810   69.821
LGA    P   102_B      P   102_B     2.502     0    0.018   0.286     2.605   60.952   62.653
LGA    E   103_B      E   103_B     2.780     0    0.023   0.259     4.185   57.143   50.265
LGA    T   104_B      T   104_B     3.054     0    0.049   0.054     3.640   55.357   52.109
LGA    M   105_B      M   105_B     2.755     0    0.120   1.047     3.812   51.905   62.679
LGA    S   106_B      S   106_B     3.069     0    0.338   0.779     6.000   55.357   45.952
LGA    V   107_B      V   107_B     3.080     0    0.648   1.310     5.898   48.333   46.122
LGA    E   108_B      E   108_B     4.039     0    0.053   1.345     7.297   45.119   30.847
LGA    R   109_B      R   109_B     2.169     4    0.026   0.619     2.745   71.190   43.593
LGA    R   110_B      R   110_B     1.298     0    0.102   1.152     3.545   81.429   70.346
LGA    K   111_B      K   111_B     1.913     0    0.044   0.516     5.083   72.857   58.519
LGA    L   112_B      L   112_B     1.416     0    0.068   1.247     3.691   79.286   70.417
LGA    M   113_B      M   113_B     0.745     0    0.014   0.184     1.398   92.857   90.536
LGA    Q   114_B      Q   114_B     0.801     0    0.031   0.149     1.869   90.476   82.593
LGA    G   115_B      G   115_B     0.656     0    0.039   0.039     0.802   95.238   95.238
LGA    Y   116_B      Y   116_B     0.366     0    0.052   0.113     1.355   97.619   90.635
LGA    G   117_B      G   117_B     0.615     0    0.075   0.075     1.271   90.595   90.595
LGA    A   118_B      A   118_B     0.743     0    0.023   0.024     1.211   85.952   86.857
LGA    E   119_B      E   119_B     1.570     0    0.063   0.618     3.223   75.000   68.571
LGA    L   120_B      L   120_B     1.630     0    0.030   1.227     2.985   70.833   68.988
LGA    I   121_B      I   121_B     2.057     1    0.003   0.065     2.258   68.810   58.690
LGA    L   122_B      L   122_B     2.446     0    0.043   1.265     3.826   60.952   58.274
LGA    T   123_B      T   123_B     2.998     0    0.042   0.074     3.203   53.571   53.061
LGA    P   124_B      P   124_B     3.797     0    0.025   0.094     4.200   43.333   41.565
LGA    G   125_B      G   125_B     4.017     0    0.053   0.053     4.301   38.690   38.690
LGA    A   126_B      A   126_B     4.964     0    0.040   0.043     5.347   31.429   30.381
LGA    D   127_B      D   127_B     3.619     0    0.071   0.363     4.531   45.119   44.405
LGA    G   128_B      G   128_B     3.428     0    0.056   0.056     3.540   48.333   48.333
LGA    M   129_B      M   129_B     2.740     0    0.079   0.481     3.169   55.357   56.310
LGA    K   130_B      K   130_B     3.005     4    0.046   0.089     3.058   55.357   30.159
LGA    G   131_B      G   131_B     2.993     0    0.032   0.032     3.080   55.357   55.357
LGA    A   132_B      A   132_B     2.234     0    0.044   0.049     2.564   66.905   66.476
LGA    I   133_B      I   133_B     1.862     0    0.098   0.157     2.148   70.833   70.833
LGA    A   134_B      A   134_B     2.397     0    0.033   0.046     2.684   64.762   63.238
LGA    K   135_B      K   135_B     2.313     0    0.022   0.652     2.691   64.762   65.767
LGA    A   136_B      A   136_B     1.721     0    0.050   0.053     1.958   72.857   72.857
LGA    E   137_B      E   137_B     1.582     2    0.092   0.137     1.843   72.857   57.619
LGA    E   138_B      E   138_B     2.118     0    0.019   0.830     4.839   66.786   55.873
LGA    L   139_B      L   139_B     1.797     0    0.036   1.236     4.103   72.857   67.381
LGA    V   140_B      V   140_B     1.651     0    0.140   1.343     3.980   72.857   69.864
LGA    K   141_B      K   141_B     1.917     4    0.032   0.079     2.178   68.810   37.778
LGA    E   142_B      E   142_B     2.099     4    0.051   0.100     2.144   66.786   36.878
LGA    K   143_B      K   143_B     1.991     4    0.058   0.074     2.091   70.833   39.577
LGA    G   144_B      G   144_B     1.871     0    0.015   0.015     1.915   72.857   72.857
LGA    Y   145_B      Y   145_B     1.597     0    0.025   0.085     1.820   77.143   74.286
LGA    F   146_B      F   146_B     1.195     0    0.047   0.143     1.309   81.429   83.896
LGA    M   147_B      M   147_B     0.981     0    0.019   0.082     1.422   90.476   85.952
LGA    P   148_B      P   148_B     0.875     0    0.633   0.708     2.530   79.881   83.129
LGA    M   149_B      M   149_B     2.748     3    0.316   0.352     3.068   67.143   39.821
LGA    Q   150_B      Q   150_B     3.002     4    0.672   0.629     4.793   50.357   25.873
LGA    F   151_B      F   151_B     3.143     0    0.129   1.217    11.703   59.167   25.628
LGA    D   152_B      D   152_B     4.294     3    0.094   0.113     6.175   35.476   19.881
LGA    N   153_B      N   153_B     7.170     3    0.100   0.129     8.270   16.667    8.929
LGA    P   154_B      P   154_B     7.879     0    0.256   0.273    10.295    4.643    3.265
LGA    A   155_B      A   155_B    12.482     0    0.572   0.568    14.359    0.000    0.000
LGA    H   160_B      H   160_B    12.293     5    0.642   0.620    13.195    0.000    0.000
LGA    E   161_B      E   161_B     8.525     0    0.091   0.774     9.701    5.119    6.931
LGA    E   162_B      E   162_B     6.998     0    0.177   1.014     7.829   11.905   11.640
LGA    T   163_B      T   163_B     8.664     0    0.094   1.185    10.435    3.333    3.129
LGA    T   164_B      T   164_B     9.528     0    0.047   0.179    10.369    1.905    1.156
LGA    G   165_B      G   165_B     7.340     0    0.060   0.060     7.988   10.952   10.952
LGA    K   166_B      K   166_B     6.644     4    0.085   0.096     7.290   11.667    7.090
LGA    E   167_B      E   167_B     8.926     0    0.068   0.889     9.711    2.381    2.116
LGA    I   168_B      I   168_B     9.152     0    0.038   0.090     9.968    2.143    1.548
LGA    L   169_B      L   169_B     7.446     0    0.046   0.408     8.366    6.667   15.060
LGA    E   170_B      E   170_B     8.958     0    0.032   0.903    10.537    2.024    1.640
LGA    A   171_B      A   171_B    10.885     0    0.117   0.121    11.761    0.000    0.000
LGA    F   172_B      F   172_B     9.806     0    0.096   0.156     9.961    0.476    0.909
LGA    G   173_B      G   173_B    10.419     0    0.646   0.646    10.419    0.357    0.357
LGA    D   174_B      D   174_B    11.163     0    0.142   0.242    14.185    0.119    0.060
LGA    D   175_B      D   175_B     9.164     0    0.192   0.375     9.939    3.452    2.679
LGA    I   176_B      I   176_B     5.313     0    0.114   0.594     6.934   25.595   26.310
LGA    P   177_B      P   177_B     3.088     0    0.084   0.422     3.969   51.905   51.293
LGA    D   178_B      D   178_B     2.559     0    0.019   0.157     4.044   60.952   54.762
LGA    A   179_B      A   179_B     1.701     0    0.040   0.041     1.977   72.857   74.571
LGA    F   180_B      F   180_B     1.463     0    0.029   0.188     2.137   79.286   74.459
LGA    V   181_B      V   181_B     0.925     0    0.036   1.334     2.695   83.690   78.163
LGA    A   182_B      A   182_B     1.520     0    0.065   0.086     1.873   75.000   74.571
LGA    G   183_B      G   183_B     1.546     0    0.042   0.042     1.546   77.143   77.143
LGA    V   184_B      V   184_B     1.742     0    0.163   0.667     3.747   70.833   68.707
LGA    G   185_B      G   185_B     2.577     0    0.050   0.050     3.988   52.143   52.143
LGA    T   186_B      T   186_B     5.101     0    0.079   0.118     6.545   29.048   24.014
LGA    G   187_B      G   187_B     3.484     0    0.048   0.048     3.888   46.667   46.667
LGA    G   188_B      G   188_B     4.647     0    0.110   0.110     4.647   35.714   35.714
LGA    T   189_B      T   189_B     3.768     0    0.015   0.126     4.564   46.667   42.653
LGA    L   190_B      L   190_B     2.028     0    0.032   0.128     2.470   66.786   68.810
LGA    T   191_B      T   191_B     2.355     0    0.016   0.121     3.229   62.857   59.388
LGA    G   192_B      G   192_B     3.122     0    0.021   0.021     3.122   51.786   51.786
LGA    V   193_B      V   193_B     2.882     0    0.059   1.339     5.092   57.143   53.810
LGA    G   194_B      G   194_B     2.125     0    0.060   0.060     2.304   64.762   64.762
LGA    H   195_B      H   195_B     2.525     0    0.046   0.360     2.808   59.048   60.190
LGA    A   196_B      A   196_B     3.239     0    0.023   0.033     3.571   51.786   50.095
LGA    L   197_B      L   197_B     2.868     0    0.040   1.236     4.030   57.143   52.917
LGA    K   198_B      K   198_B     2.456     0    0.088   0.646     2.575   62.857   69.524
LGA    K   199_B      K   199_B     2.859     2    0.098   0.535     4.075   57.143   40.688
LGA    A   200_B      A   200_B     3.119     0    0.060   0.066     3.346   51.786   51.429
LGA    N   201_B      N   201_B     2.808     0    0.022   0.232     3.678   57.143   54.524
LGA    P   202_B      P   202_B     2.196     0    0.081   0.093     2.484   64.762   64.762
LGA    N   203_B      N   203_B     2.140     0    0.028   1.122     3.508   64.762   61.131
LGA    V   204_B      V   204_B     2.263     0    0.014   0.080     2.403   68.810   67.075
LGA    Q   205_B      Q   205_B     1.743     0    0.027   0.894     3.160   72.857   70.317
LGA    I   206_B      I   206_B     1.543     0    0.020   0.085     2.017   77.143   73.988
LGA    Y   207_B      Y   207_B     1.078     0    0.031   0.085     1.393   81.429   84.444
LGA    A   208_B      A   208_B     1.432     0    0.061   0.057     1.686   81.429   79.714
LGA    L   209_B      L   209_B     1.551     0    0.014   0.267     2.269   75.000   75.060
LGA    E   210_B      E   210_B     2.227     0    0.041   0.433     2.411   66.786   69.312
LGA    P   211_B      P   211_B     2.838     0    0.056   0.346     3.286   57.143   56.122
LGA    A   212_B      A   212_B     2.917     0    0.562   0.507     3.052   55.357   55.714
LGA    P   236_B      P   236_B    14.459     0    0.486   0.738    15.529    0.000    0.000
LGA    K   237_B      K   237_B    14.742     0    0.514   0.989    17.709    0.000    0.000
LGA    V   238_B      V   238_B    14.578     0    0.611   0.928    16.869    0.000    0.000
LGA    L   239_B      L   239_B     8.812     0    0.141   1.414    10.901    2.619    7.976
LGA    D   240_B      D   240_B     6.947     0    0.024   0.090     8.380   20.952   15.893
LGA    T   241_B      T   241_B     3.519     0    0.085   0.117     6.073   53.095   41.020
LGA    D   242_B      D   242_B     2.002     0    0.236   0.247     3.306   68.810   62.083
LGA    V   243_B      V   243_B     1.394     0    0.165   1.326     2.748   79.286   74.354
LGA    Y   244_B      Y   244_B     1.051     0    0.066   0.962     4.679   88.333   70.913
LGA    N   245_B      N   245_B     0.998     0    0.020   0.278     1.852   85.952   82.619
LGA    G   246_B      G   246_B     1.033     0    0.053   0.053     1.033   88.214   88.214
LGA    I   247_B      I   247_B     0.882     0    0.038   0.106     1.183   90.476   85.952
LGA    L   248_B      L   248_B     0.965     0    0.034   1.239     2.665   83.810   79.762
LGA    E   249_B      E   249_B     1.732     0    0.086   0.394     2.289   70.952   71.111
LGA    I   250_B      I   250_B     2.491     0    0.043   0.098     2.902   60.952   64.881
LGA    K   251_B      K   251_B     3.457     2    0.045   0.108     3.992   48.333   35.926
LGA    S   252_B      S   252_B     3.953     0    0.010   0.591     5.045   41.786   38.413
LGA    D   253_B      D   253_B     4.411     0    0.038   1.023     7.676   37.143   26.310
LGA    D   254_B      D   254_B     3.445     0    0.062   0.607     4.842   48.333   45.179
LGA    A   255_B      A   255_B     2.879     0    0.067   0.085     3.107   51.786   51.429
LGA    I   256_B      I   256_B     3.839     0    0.015   0.145     4.650   45.000   39.643
LGA    T   257_B      T   257_B     3.761     0    0.053   0.110     4.262   46.667   44.354
LGA    M   258_B      M   258_B     2.654     0    0.039   0.812     3.283   55.357   58.214
LGA    A   259_B      A   259_B     2.763     0    0.055   0.057     2.963   57.143   57.143
LGA    R   260_B      R   260_B     3.321     0    0.018   1.348     9.062   50.000   32.165
LGA    E   261_B      E   261_B     2.807     0    0.052   0.209     3.646   59.167   54.127
LGA    V   262_B      V   262_B     1.860     0    0.044   1.336     3.199   70.833   66.190
LGA    G   263_B      G   263_B     2.144     0    0.064   0.064     2.160   66.786   66.786
LGA    H   264_B      H   264_B     2.523     0    0.081   1.041     4.654   62.857   53.429
LGA    Q   265_B      Q   265_B     2.114     0    0.039   1.070     4.397   68.810   61.799
LGA    E   266_B      E   266_B     1.272     0    0.045   0.174     1.547   79.286   80.476
LGA    G   267_B      G   267_B     1.298     0    0.043   0.043     1.336   81.429   81.429
LGA    I   268_B      I   268_B     1.302     0    0.036   0.161     1.831   77.143   81.548
LGA    L   269_B      L   269_B     2.397     0    0.061   0.513     2.827   62.976   61.964
LGA    V   270_B      V   270_B     2.682     0    0.036   0.096     3.321   53.571   56.190
LGA    G   271_B      G   271_B     3.573     0    0.047   0.047     3.573   48.333   48.333
LGA    I   272_B      I   272_B     3.506     0    0.026   0.196     4.935   48.452   42.917
LGA    S   273_B      S   273_B     2.880     0    0.095   0.560     3.276   55.357   53.571
LGA    A   274_B      A   274_B     2.242     0    0.049   0.049     2.361   66.786   66.381
LGA    G   275_B      G   275_B     2.365     0    0.053   0.053     2.365   64.762   64.762
LGA    A   276_B      A   276_B     2.306     0    0.038   0.045     2.557   66.786   64.857
LGA    N   277_B      N   277_B     1.745     0    0.009   0.067     2.070   75.000   72.917
LGA    I   278_B      I   278_B     1.456     0    0.065   0.157     1.615   77.143   79.286
LGA    K   279_B      K   279_B     1.884     0    0.044   0.152     2.749   72.857   66.667
LGA    G   280_B      G   280_B     1.313     0    0.028   0.028     1.527   79.286   79.286
LGA    A   281_B      A   281_B     0.819     0    0.031   0.030     1.035   83.690   85.048
LGA    I   282_B      I   282_B     1.519     0    0.037   0.121     2.051   75.000   72.917
LGA    E   283_B      E   283_B     1.812     0    0.085   0.151     2.110   70.833   70.159
LGA    V   284_B      V   284_B     1.377     0    0.040   1.345     3.230   77.143   74.558
LGA    A   285_B      A   285_B     1.723     0    0.028   0.039     2.396   68.810   69.619
LGA    K   286_B      K   286_B     2.528     0    0.019   0.305     3.917   59.048   57.302
LGA    K   287_B      K   287_B     2.782     2    0.065   0.174     3.225   55.357   45.344
LGA    L   288_B      L   288_B     2.890     0    0.027   1.251     4.117   51.905   52.976
LGA    G   289_B      G   289_B     3.499     0    0.024   0.024     3.632   48.333   48.333
LGA    K   290_B      K   290_B     3.864     2    0.020   0.500     4.361   40.238   33.175
LGA    G   291_B      G   291_B     4.164     0    0.121   0.121     4.164   41.786   41.786
LGA    K   292_B      K   292_B     3.308     0    0.019   0.593     4.697   50.119   45.079
LGA    Q   293_B      Q   293_B     2.571     0    0.088   0.662     5.419   59.048   44.815
LGA    V   294_B      V   294_B     1.457     0    0.029   1.341     3.291   79.286   73.333
LGA    I   295_B      I   295_B     1.449     0    0.037   1.268     4.111   81.429   73.869
LGA    T   296_B      T   296_B     1.260     0    0.039   0.148     1.428   81.429   81.429
LGA    V   297_B      V   297_B     1.817     0    0.055   0.098     2.032   72.857   70.544
LGA    A   298_B      A   298_B     2.162     0    0.049   0.053     2.729   60.952   61.714
LGA    P   299_B      P   299_B     3.040     0    0.065   0.269     4.183   46.905   50.272
LGA    D   300_B      D   300_B     4.555     0    0.131   0.258     6.561   38.810   31.667
LGA    G   301_B      G   301_B     3.755     0    0.016   0.016     4.282   41.786   41.786
LGA    G   302_B      G   302_B     4.035     0    0.134   0.134     4.361   38.690   38.690
LGA    D   303_B      D   303_B     4.284     0    0.202   0.630     5.551   31.786   33.095
LGA    R   304_B      R   304_B     5.010     6    0.108   0.117     5.450   27.500   12.381
LGA    Y   305_B      Y   305_B     5.160     0    0.031   0.126     5.343   26.190   29.683
LGA    L   306_B      L   306_B     5.388     0    0.038   1.251     7.141   23.810   24.345
LGA    S   307_B      S   307_B     6.602     0    0.192   0.687     7.800   11.905   11.825
LGA    T   308_B      T   308_B     6.753     0    0.046   0.166     6.753   14.286   14.422
LGA    E   309_B      E   309_B     6.916     3    0.122   0.542     7.623   15.238    9.471
LGA    L   310_B      L   310_B     5.467     0    0.098   0.146     6.101   23.929   27.738
LGA    F   311_B      F   311_B     5.082     0    0.376   0.504     5.291   27.500   33.203
LGA    N   312_B      N   312_B     6.919     0    0.510   1.130    12.163   16.190    8.452
LGA    Y   313_B      Y   313_B     6.279     0    0.228   0.184     6.605   15.238   22.619

# 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):     3.884          3.857                  4.139           57.734   54.087

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  313  281    4.0    230    2.33    65.302    60.748     9.476

LGA_LOCAL      RMSD:   2.327  Number of atoms:  230  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.965  Number of assigned atoms:  281 
Std_ASGN_ATOMS RMSD:   3.884  Standard rmsd on all 281 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.228542 * X  +   0.030766 * Y  +   0.973048 * Z  +  10.337951
  Y_new =  -0.854524 * X  +  -0.485211 * Y  +  -0.185362 * Z  +  10.344654
  Z_new =   0.466431 * X  +  -0.873856 * Y  +   0.137181 * Z  +  25.753355 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.832129 -0.485252 -1.415084   [DEG: -104.9733  -27.8029  -81.0783 ]
ZXZ:  1.382555  1.433181  2.651302   [DEG:   79.2146   82.1152  151.9084 ]
 
# END of job
