
#######################################################
#                                                     #
#                        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       4.40     4.40
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   114      39_B - 152_B       1.97     6.50
  LONGEST_CONTINUOUS_SEGMENT:   114      40_B - 153_B       2.00     6.72
  LCS_AVERAGE:     32.67

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    80      69_B - 148_B       0.99     8.28
  LCS_AVERAGE:     19.32

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      6   23   57  102  125  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     H     7_B     H     7_B     14   16  281     10   65   81  101  115  129  142  161  189  208  228  242  250  257  261  266  272  273  275  276 
LCS_GDT     T     8_B     T     8_B     14   16  281     33   65   81  101  115  129  142  171  198  219  237  246  252  257  261  268  272  273  275  276 
LCS_GDT     K     9_B     K     9_B     14   16  281      3   65   81  101  115  129  142  171  198  219  237  246  252  257  261  268  272  273  275  276 
LCS_GDT     I    10_B     I    10_B     14   16  281     10   56   81  101  115  129  155  183  212  224  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     T    11_B     T    11_B     14   16  281     10   55   81  101  115  140  170  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     N    12_B     N    12_B     14   16  281     10   18   75  101  115  140  170  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     S    13_B     S    13_B     14   31  281     10   18   78  101  115  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     I    14_B     I    14_B     14   33  281     15   56   81  101  125  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     V    15_B     V    15_B     14   33  281     12   55   73  100  125  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     N    16_B     N    16_B     14   33  281     25   56   81  101  121  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     L    17_B     L    17_B     14   52  281     10   56   81  105  130  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     I    18_B     I    18_B     29   52  281      8   70  109  127  135  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     G    19_B     G    19_B     29   52  281      5   17  113  128  135  143  161  196  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     N    20_B     N    20_B     29   52  281      3   95  116  128  135  143  161  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     T    21_B     T    21_B     29   52  281     76   99  116  128  135  143  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     P    22_B     P    22_B     29   52  281     71   99  116  128  135  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     I    23_B     I    23_B     29   52  281     67   99  116  128  135  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     V    24_B     V    24_B     29   52  281     77   99  116  128  135  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     K    25_B     K    25_B     29   52  281     77   99  116  128  135  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     L    26_B     L    26_B     29   52  281     77   99  116  128  135  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     N    27_B     N    27_B     29   52  281     77   99  116  128  135  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     R    28_B     R    28_B     29   52  281     77   99  116  128  135  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     V    29_B     V    29_B     29   52  281     77   99  116  128  135  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     V    30_B     V    30_B     29   52  281     77   99  116  128  135  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     P    31_B     P    31_B     29   52  281     77   99  116  128  135  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     E    32_B     E    32_B     29   52  281     54   99  116  128  135  153  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     D    33_B     D    33_B     29   52  281     77   99  116  128  135  143  179  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     A    34_B     A    34_B     29   52  281     77   99  116  128  135  153  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     A    35_B     A    35_B     29   52  281     77   99  116  128  135  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     D    36_B     D    36_B     29   52  281     77   99  116  128  135  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     V    37_B     V    37_B     29   52  281     77   99  116  128  135  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     Y    38_B     Y    38_B     29  113  281     77   99  116  128  135  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     V    39_B     V    39_B     29  114  281     77   99  116  128  135  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     K    40_B     K    40_B     29  114  281     77   99  116  128  135  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     L    41_B     L    41_B     29  114  281     77   99  116  128  135  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     E    42_B     E    42_B     29  114  281     77   99  116  128  135  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     F    43_B     F    43_B     29  114  281     54   99  116  128  135  143  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     F    44_B     F    44_B     29  114  281     16   95  115  128  135  140  166  190  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     N    45_B     N    45_B     29  114  281     45   96  115  128  135  140  160  187  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     P    46_B     P    46_B     29  114  281      4   20   75  126  135  140  148  168  193  214  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     G    47_B     G    47_B     30  114  281     20   37   73  100  123  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     G    48_B     G    48_B     30  114  281      4    6   15   28   75  130  174  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     S    49_B     S    49_B     30  114  281      3   15   38   59   93  145  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     I    50_B     I    50_B     30  114  281      3   18   38   59   98  145  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     K    51_B     K    51_B     30  114  281      6   21   41   66   95  145  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     D    52_B     D    52_B     30  114  281      7   47   78  101  123  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     R    53_B     R    53_B     30  114  281     17   42   69   95  125  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     I    54_B     I    54_B     30  114  281      8   25   55   91  121  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     A    55_B     A    55_B     30  114  281      9   29   73  100  121  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     L    56_B     L    56_B     30  114  281     22   56   81  101  125  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     A    57_B     A    57_B     30  114  281     17   44   73  101  121  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     M    58_B     M    58_B     30  114  281     17   44   76  101  121  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     I    59_B     I    59_B     30  114  281     22   62   81  101  121  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     E    60_B     E    60_B     30  114  281     22   56   81  101  121  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     E    61_B     E    61_B     30  114  281     22   55   81  101  121  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     A    62_B     A    62_B     30  114  281     22   62   81  101  121  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     E    63_B     E    63_B     30  114  281     22   56   81  101  121  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     K    64_B     K    64_B     30  114  281     22   56   80  101  121  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     A    65_B     A    65_B     30  114  281     22   56   81  101  121  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     G    66_B     G    66_B     30  114  281     22   56   81  101  121  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     K    67_B     K    67_B     30  114  281     23   65   81  101  121  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     L    68_B     L    68_B     30  114  281     22   65   81  101  121  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     Q    69_B     Q    69_B     80  114  281     31   65   81  101  121  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     A    70_B     A    70_B     80  114  281     31   65   81  101  121  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     G    71_B     G    71_B     80  114  281     27   62   81  101  121  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     G    72_B     G    72_B     80  114  281     31   65   81  101  121  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     T    73_B     T    73_B     80  114  281     43   65   81  101  121  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     I    74_B     I    74_B     80  114  281     44   65   81  101  121  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     V    75_B     V    75_B     80  114  281     44   65   81  101  121  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     E    76_B     E    76_B     80  114  281     44   65   81  101  121  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     P    77_B     P    77_B     80  114  281     44   65   81  101  115  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     T    78_B     T    78_B     80  114  281     11   65   81  101  115  149  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     S    79_B     S    79_B     80  114  281      3    4   22   87  115  143  171  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     G    80_B     G    80_B     80  114  281      6   34   86  118  130  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     N    81_B     N    81_B     80  114  281      3   45  101  125  134  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     T    82_B     T    82_B     80  114  281     16   47  108  125  134  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     G    83_B     G    83_B     80  114  281     18   39   74  109  126  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     V    84_B     V    84_B     80  114  281     18   54   86  118  130  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     G    85_B     G    85_B     80  114  281     18   63   99  118  133  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     L    86_B     L    86_B     80  114  281     26   63   80  102  126  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     A    87_B     A    87_B     80  114  281     44   65   81  101  125  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     M    88_B     M    88_B     80  114  281     44   65   81  105  126  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     V    89_B     V    89_B     80  114  281     44   65   81  101  125  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     A    90_B     A    90_B     80  114  281     44   65   81  101  121  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     A    91_B     A    91_B     80  114  281     44   65   81  101  121  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     A    92_B     A    92_B     80  114  281     44   65   81  101  121  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     K    93_B     K    93_B     80  114  281     18   65   81  101  121  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     G    94_B     G    94_B     80  114  281     43   65   81  101  121  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     Y    95_B     Y    95_B     80  114  281     43   65   81  101  121  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     H    96_B     H    96_B     80  114  281     43   65   81  101  121  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     L    97_B     L    97_B     80  114  281     44   65   81  101  121  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     V    98_B     V    98_B     80  114  281     44   65   81  101  121  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     I    99_B     I    99_B     80  114  281     44   65   81  101  121  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     T   100_B     T   100_B     80  114  281     44   65   81  101  115  145  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     M   101_B     M   101_B     80  114  281     44   65   81  101  115  143  169  196  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     P   102_B     P   102_B     80  114  281     44   65   81  101  115  129  151  181  204  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     E   103_B     E   103_B     80  114  281     43   65   81  101  115  129  147  174  199  224  237  246  252  257  262  268  272  273  275  276 
LCS_GDT     T   104_B     T   104_B     80  114  281     44   63   80  101  115  129  142  165  187  213  234  245  252  257  262  268  272  273  275  276 
LCS_GDT     M   105_B     M   105_B     80  114  281      3   63   81  101  115  129  151  175  199  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     S   106_B     S   106_B     80  114  281      5   12   64  101  115  129  151  180  205  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     V   107_B     V   107_B     80  114  281     13   50   73  101  115  129  154  187  212  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     E   108_B     E   108_B     80  114  281      4   45   69   90  111  127  142  165  195  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     R   109_B     R   109_B     80  114  281      4   28   78  101  115  143  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     R   110_B     R   110_B     80  114  281     33   65   81  101  115  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     K   111_B     K   111_B     80  114  281     44   65   81  101  115  147  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     L   112_B     L   112_B     80  114  281     44   65   81  101  123  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     M   113_B     M   113_B     80  114  281     44   65   81  101  123  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     Q   114_B     Q   114_B     80  114  281     44   65   81  101  121  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     G   115_B     G   115_B     80  114  281     44   65   81  101  123  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     Y   116_B     Y   116_B     80  114  281     44   65   81  101  123  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     G   117_B     G   117_B     80  114  281     44   65   81  101  121  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     A   118_B     A   118_B     80  114  281     44   65   81  101  121  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     E   119_B     E   119_B     80  114  281     44   65   81  101  115  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     L   120_B     L   120_B     80  114  281     44   65   81  101  115  147  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     I   121_B     I   121_B     80  114  281     44   65   81  101  115  143  169  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     L   122_B     L   122_B     80  114  281     44   65   81  101  115  138  163  184  212  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     T   123_B     T   123_B     80  114  281     43   65   81  101  115  129  151  179  199  225  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     P   124_B     P   124_B     80  114  281     29   63   79  100  114  127  142  161  184  206  230  241  250  256  261  268  272  273  275  276 
LCS_GDT     G   125_B     G   125_B     80  114  281     11   62   78   97  112  124  136  151  176  197  219  239  249  256  261  268  272  273  275  276 
LCS_GDT     A   126_B     A   126_B     80  114  281     11   55   70   92  108  121  131  143  157  178  204  223  245  254  259  264  270  273  275  276 
LCS_GDT     D   127_B     D   127_B     80  114  281     44   65   81  101  115  128  142  165  187  209  230  245  250  256  262  268  272  273  275  276 
LCS_GDT     G   128_B     G   128_B     80  114  281     27   63   80  101  115  128  142  165  187  213  234  246  252  257  262  268  272  273  275  276 
LCS_GDT     M   129_B     M   129_B     80  114  281     44   65   81  101  115  129  151  182  212  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     K   130_B     K   130_B     80  114  281     44   65   81  101  115  129  151  181  210  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     G   131_B     G   131_B     80  114  281     44   65   81  101  115  129  151  178  199  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     A   132_B     A   132_B     80  114  281     44   65   81  101  115  143  167  195  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     I   133_B     I   133_B     80  114  281     44   65   81  101  115  143  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     A   134_B     A   134_B     80  114  281     44   65   81  101  115  143  168  195  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     K   135_B     K   135_B     80  114  281     44   65   81  101  115  143  168  195  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     A   136_B     A   136_B     80  114  281     44   65   81  101  115  145  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     E   137_B     E   137_B     80  114  281     44   65   81  101  115  147  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     E   138_B     E   138_B     80  114  281     44   65   81  101  115  143  170  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     L   139_B     L   139_B     80  114  281     44   65   81  101  115  145  175  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     V   140_B     V   140_B     80  114  281     44   65   81  101  115  146  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     K   141_B     K   141_B     80  114  281     44   63   81  101  115  145  174  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     E   142_B     E   142_B     80  114  281     43   65   81  101  115  143  170  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     K   143_B     K   143_B     80  114  281     43   65   81  101  115  145  174  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     G   144_B     G   144_B     80  114  281     43   65   81  101  115  145  176  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     Y   145_B     Y   145_B     80  114  281     44   65   81  101  115  153  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     F   146_B     F   146_B     80  114  281     44   65   81  101  121  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     M   147_B     M   147_B     80  114  281     44   65   81  101  121  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     P   148_B     P   148_B     80  114  281     36   65   81  101  121  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     M   149_B     M   149_B     77  114  281      3   30   73   93  115  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     Q   150_B     Q   150_B     70  114  281      3   31   66  101  115  147  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     F   151_B     F   151_B      6  114  281      3    8   39   78  115  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     D   152_B     D   152_B      6  114  281      8   25   35   50  122  141  179  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     N   153_B     N   153_B      6  114  281      4    6   39   51   74  114  140  150  173  190  218  242  252  257  262  268  272  273  275  276 
LCS_GDT     P   154_B     P   154_B      6  109  281      4   15   34   48   54   82   98  140  154  190  206  236  247  256  262  268  272  273  275  276 
LCS_GDT     A   155_B     A   155_B      6  101  281      4    6    6    8    8   12   25   34   68   82  100  118  157  180  204  243  254  268  272  276 
LCS_GDT     H   160_B     H   160_B      4   18  281      3    4    5    7   17   21   25   27   33   45   53   62   93  124  207  240  258  264  269  272 
LCS_GDT     E   161_B     E   161_B      4   18  281      3    4    5   16   21   28   45   76  115  155  179  208  247  255  262  268  272  273  275  276 
LCS_GDT     E   162_B     E   162_B     12   18  281      3    7   13   25   34   50   80  108  149  206  231  242  252  257  262  268  272  273  275  276 
LCS_GDT     T   163_B     T   163_B     12   18  281      8   11   13   21   31   50   61   79   96  146  185  222  247  255  262  268  272  273  275  276 
LCS_GDT     T   164_B     T   164_B     12   18  281      9   11   13   19   22   28   43   63   82  118  167  191  217  250  260  267  272  273  275  276 
LCS_GDT     G   165_B     G   165_B     12   18  281      9   11   13   21   34   50   61   95  138  186  225  242  250  257  262  268  272  273  275  276 
LCS_GDT     K   166_B     K   166_B     12   18  281      9   11   13   31   52   79  133  148  186  217  235  246  252  257  262  268  272  273  275  276 
LCS_GDT     E   167_B     E   167_B     12   18  281      9   11   28   46   54   77  108  141  150  164  189  222  247  255  262  268  272  273  275  276 
LCS_GDT     I   168_B     I   168_B     12   18  281      9   11   13   23   48   67  113  135  146  156  178  205  241  253  262  268  272  273  275  276 
LCS_GDT     L   169_B     L   169_B     12   44  281      9   16   43  100  128  138  142  150  161  183  223  242  252  257  262  268  272  273  275  276 
LCS_GDT     E   170_B     E   170_B     12   44  281      9   21   55   94  122  138  141  146  154  164  180  212  230  252  262  268  272  273  275  276 
LCS_GDT     A   171_B     A   171_B     12   44  281      9   11   13   35   62   95  118  139  146  151  156  170  183  199  245  255  265  273  275  276 
LCS_GDT     F   172_B     F   172_B     12   44  281      9   11   13   22   62  101  123  141  146  151  159  175  218  239  256  264  272  273  275  276 
LCS_GDT     G   173_B     G   173_B     12   44  281      8   11   15   37   51   89  124  136  144  151  156  166  174  231  245  258  265  273  275  276 
LCS_GDT     D   174_B     D   174_B      5   44  281      4    5   14   30   51   75  106  135  144  151  155  166  176  195  245  251  264  271  275  276 
LCS_GDT     D   175_B     D   175_B      5   44  281      4    9   14   37   61  103  130  142  146  152  166  194  226  245  259  268  272  273  275  276 
LCS_GDT     I   176_B     I   176_B     37   44  281     15   83  108  128  135  140  148  180  213  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     P   177_B     P   177_B     37   44  281     77   99  116  128  135  147  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     D   178_B     D   178_B     37   44  281     77   99  116  128  135  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     A   179_B     A   179_B     37   44  281     77   99  116  128  135  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     F   180_B     F   180_B     37   44  281     77   99  116  128  135  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     V   181_B     V   181_B     37   44  281     77   99  116  128  135  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     A   182_B     A   182_B     37   44  281     59   99  116  128  135  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     G   183_B     G   183_B     37   44  281     22   96  116  128  135  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     V   184_B     V   184_B     37   44  281      9   96  115  128  135  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     G   185_B     G   185_B     37   44  281     17   48   99  125  135  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     T   186_B     T   186_B     37   44  281      6   26   47  106  130  140  148  169  203  225  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     G   187_B     G   187_B     37   44  281      6   41  112  128  135  143  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     G   188_B     G   188_B     37   44  281      8   48   77  106  130  140  159  195  216  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     T   189_B     T   189_B     37   44  281      6   32   69  101  130  140  178  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     L   190_B     L   190_B     37   44  281     15   48  116  128  135  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     T   191_B     T   191_B     37   99  281     22   63  116  128  135  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     G   192_B     G   192_B     37   99  281     17   47  108  127  135  146  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     V   193_B     V   193_B     37   99  281     17   52  116  128  135  148  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     G   194_B     G   194_B     37   99  281     17   76  116  128  135  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     H   195_B     H   195_B     37   99  281     17   76  116  128  135  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     A   196_B     A   196_B     37   99  281     17   87  116  128  135  147  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     L   197_B     L   197_B     37   99  281     22   99  116  128  135  150  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     K   198_B     K   198_B     37   99  281     15   97  116  128  135  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     K   199_B     K   199_B     37   99  281     13   95  116  128  135  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     A   200_B     A   200_B     37   99  281     36   98  116  128  135  148  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     N   201_B     N   201_B     37   99  281     52   99  116  128  135  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     P   202_B     P   202_B     37   99  281     36   95  116  128  135  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     N   203_B     N   203_B     37   99  281     43   99  116  128  135  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     V   204_B     V   204_B     37   99  281     77   99  116  128  135  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     Q   205_B     Q   205_B     37   99  281     77   99  116  128  135  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     I   206_B     I   206_B     37   99  281     77   99  116  128  135  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     Y   207_B     Y   207_B     37   99  281     77   99  116  128  135  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     A   208_B     A   208_B     37   99  281     62   99  116  128  135  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     L   209_B     L   209_B     37   99  281     45   99  116  128  135  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     E   210_B     E   210_B     37   99  281     45   99  116  128  135  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     P   211_B     P   211_B     37   99  281     24   92  116  128  135  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     A   212_B     A   212_B     37   99  281     22   61  113  128  135  153  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     P   236_B     P   236_B      3   99  281      0    3    3    7    9   23   33   51   92  133  149  150  155  162  176  184  194  229  238  252 
LCS_GDT     K   237_B     K   237_B      3   99  281      0    3    3    4    4    7   25   69   80   94  108  150  155  161  172  195  216  228  238  252 
LCS_GDT     V   238_B     V   238_B      5   99  281      4    5    5    9   16   22   35   47   90  108  119  130  149  161  172  183  198  212  238  247 
LCS_GDT     L   239_B     L   239_B      5   99  281      4    5   12   21   66  114  138  142  149  161  170  197  224  241  256  267  272  273  275  276 
LCS_GDT     D   240_B     D   240_B     74   99  281      4   10   72  100  126  138  143  150  176  204  230  244  252  257  262  268  272  273  275  276 
LCS_GDT     T   241_B     T   241_B     74   99  281      4   67  109  128  135  147  179  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     D   242_B     D   242_B     74   99  281     31   99  116  128  135  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     V   243_B     V   243_B     74   99  281     18   95  116  128  135  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     Y   244_B     Y   244_B     74   99  281     20   99  116  128  135  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     N   245_B     N   245_B     74   99  281     57   99  116  128  135  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     G   246_B     G   246_B     74   99  281     77   99  116  128  135  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     I   247_B     I   247_B     74   99  281     62   98  116  128  135  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     L   248_B     L   248_B     74   99  281     62   99  116  128  135  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     E   249_B     E   249_B     74   99  281     39   97  116  128  135  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     I   250_B     I   250_B     74   99  281     77   99  116  128  135  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     K   251_B     K   251_B     74   99  281     77   99  116  128  135  147  179  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     S   252_B     S   252_B     74   99  281     77   99  116  128  135  143  179  199  217  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     D   253_B     D   253_B     74   99  281     77   99  116  128  135  143  173  196  213  225  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     D   254_B     D   254_B     74   99  281     77   99  116  128  135  147  179  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     A   255_B     A   255_B     74   99  281     77   99  116  128  135  153  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     I   256_B     I   256_B     74   99  281     77   99  116  128  135  143  179  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     T   257_B     T   257_B     74   99  281     77   99  116  128  135  143  179  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     M   258_B     M   258_B     74   99  281     77   99  116  128  135  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     A   259_B     A   259_B     74   99  281     77   99  116  128  135  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     R   260_B     R   260_B     74   99  281     77   99  116  128  135  147  179  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     E   261_B     E   261_B     74   99  281     77   99  116  128  135  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     V   262_B     V   262_B     74   99  281     77   99  116  128  135  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     G   263_B     G   263_B     74   99  281     77   99  116  128  135  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     H   264_B     H   264_B     74   99  281     77   99  116  128  135  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     Q   265_B     Q   265_B     74   99  281     77   99  116  128  135  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     E   266_B     E   266_B     74   99  281     77   99  116  128  135  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     G   267_B     G   267_B     74   99  281     77   99  116  128  135  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     I   268_B     I   268_B     74   99  281     77   99  116  128  135  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     L   269_B     L   269_B     74   99  281     77   99  116  128  135  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     V   270_B     V   270_B     74   99  281     77   99  116  128  135  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     G   271_B     G   271_B     74   99  281     77   99  116  128  135  143  179  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     I   272_B     I   272_B     74   99  281     77   99  116  128  135  143  179  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     S   273_B     S   273_B     74   99  281     77   99  116  128  135  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     A   274_B     A   274_B     74   99  281     77   99  116  128  135  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     G   275_B     G   275_B     74   99  281     77   99  116  128  135  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     A   276_B     A   276_B     74   99  281     77   99  116  128  135  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     N   277_B     N   277_B     74   99  281     77   99  116  128  135  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     I   278_B     I   278_B     74   99  281     77   99  116  128  135  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     K   279_B     K   279_B     74   99  281     77   99  116  128  135  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     G   280_B     G   280_B     74   99  281     77   99  116  128  135  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     A   281_B     A   281_B     74   99  281     77   99  116  128  135  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     I   282_B     I   282_B     74   99  281     77   99  116  128  135  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     E   283_B     E   283_B     74   99  281     77   99  116  128  135  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     V   284_B     V   284_B     74   99  281     77   99  116  128  135  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     A   285_B     A   285_B     74   99  281     77   99  116  128  135  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     K   286_B     K   286_B     74   99  281     77   99  116  128  135  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     K   287_B     K   287_B     74   99  281     77   99  116  128  135  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     L   288_B     L   288_B     74   99  281     77   99  116  128  135  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     G   289_B     G   289_B     74   99  281     77   99  116  128  135  143  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     K   290_B     K   290_B     74   99  281     77   99  116  128  135  143  179  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     G   291_B     G   291_B     74   99  281     42   99  116  128  135  143  161  198  217  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     K   292_B     K   292_B     74   99  281     77   99  116  128  135  145  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     Q   293_B     Q   293_B     74   99  281     77   99  116  128  135  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     V   294_B     V   294_B     74   99  281     77   99  116  128  135  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     I   295_B     I   295_B     74   99  281     77   99  116  128  135  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     T   296_B     T   296_B     74   99  281     77   99  116  128  135  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     V   297_B     V   297_B     74   99  281     77   99  116  128  135  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     A   298_B     A   298_B     74   99  281     77   99  116  128  135  154  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     P   299_B     P   299_B     74   99  281     77   99  116  128  135  148  180  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     D   300_B     D   300_B     74   99  281     24   95  115  128  135  140  162  188  217  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     G   301_B     G   301_B     74   99  281     64   99  116  128  135  143  173  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     G   302_B     G   302_B     74   99  281     71   99  116  128  135  143  173  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     D   303_B     D   303_B     74   99  281     64   99  116  128  135  143  173  199  218  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     R   304_B     R   304_B     74   99  281     62   99  116  128  135  140  164  187  203  227  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     Y   305_B     Y   305_B     74   99  281     64   99  116  128  135  140  162  187  203  223  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     L   306_B     L   306_B     74   99  281     26   99  115  128  135  140  162  187  203  218  238  246  252  257  262  268  272  273  275  276 
LCS_GDT     S   307_B     S   307_B     74   99  281     49   95  115  128  135  140  149  169  198  214  222  237  248  257  262  268  272  273  275  276 
LCS_GDT     T   308_B     T   308_B     74   99  281     42   95  115  128  135  140  149  168  190  210  221  229  247  257  262  268  272  273  275  276 
LCS_GDT     E   309_B     E   309_B     74   99  281      9   88  110  128  135  140  149  162  188  207  219  229  246  256  262  268  272  273  275  276 
LCS_GDT     L   310_B     L   310_B     74   99  281     40   95  115  128  135  140  154  174  203  218  231  244  252  257  262  268  272  273  275  276 
LCS_GDT     F   311_B     F   311_B     74   99  281     45   99  116  128  135  140  160  187  204  220  235  246  252  257  262  268  272  273  275  276 
LCS_GDT     N   312_B     N   312_B     74   99  281      3   62  110  128  135  140  149  168  188  207  219  231  247  257  262  268  272  273  275  276 
LCS_GDT     Y   313_B     Y   313_B     74   95  281      3   20   45   91  127  138  149  169  183  202  222  236  250  257  262  268  272  273  275  276 
LCS_AVERAGE  LCS_A:  50.66  (  19.32   32.67  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     99    116    128    135    154    180    199    218    227    238    246    252    257    262    268    272    273    275    276 
GDT PERCENT_AT  27.40  35.23  41.28  45.55  48.04  54.80  64.06  70.82  77.58  80.78  84.70  87.54  89.68  91.46  93.24  95.37  96.80  97.15  97.86  98.22
GDT RMS_LOCAL    0.28   0.46   0.72   0.85   1.00   2.07   2.30   2.50   2.71   2.84   3.02   3.18   3.32   3.43   3.63   3.76   3.88   3.91   4.00   4.04
GDT RMS_ALL_AT   7.11   7.09   6.74   6.91   6.87   4.52   4.48   4.50   4.49   4.47   4.47   4.46   4.44   4.44   4.42   4.42   4.41   4.41   4.41   4.41

# Checking swapping
#   possible swapping detected:  D    33_B      D    33_B
#   possible swapping detected:  F    43_B      F    43_B
#   possible swapping detected:  E    61_B      E    61_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:  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     1.652     0    0.052   1.053     7.993   47.143   36.667
LGA    H     7_B      H     7_B     7.396     0    0.618   1.062    15.277   15.357    6.190
LGA    T     8_B      T     8_B     6.346     0    0.012   0.083     6.650   16.190   17.211
LGA    K     9_B      K     9_B     6.199     4    0.107   0.109     6.376   20.476   11.005
LGA    I    10_B      I    10_B     5.217     0    0.051   0.589     8.071   26.310   21.250
LGA    T    11_B      T    11_B     3.994     0    0.043   0.077     4.337   41.786   43.401
LGA    N    12_B      N    12_B     3.794     0    0.058   0.281     5.372   46.667   39.821
LGA    S    13_B      S    13_B     2.719     0    0.041   0.061     3.106   59.167   59.762
LGA    I    14_B      I    14_B     1.590     0    0.043   0.106     2.018   72.976   77.262
LGA    V    15_B      V    15_B     0.759     0    0.084   0.296     1.520   81.548   82.789
LGA    N    16_B      N    16_B     2.507     0    0.030   0.095     3.414   59.286   56.429
LGA    L    17_B      L    17_B     2.900     0    0.097   1.203     4.564   55.357   51.250
LGA    I    18_B      I    18_B     2.866     0    0.062   0.108     3.468   53.571   58.274
LGA    G    19_B      G    19_B     4.639     0    0.681   0.681     5.072   32.976   32.976
LGA    N    20_B      N    20_B     4.476     0    0.079   0.172     5.219   38.810   35.893
LGA    T    21_B      T    21_B     3.690     0    0.025   0.134     4.324   43.452   41.633
LGA    P    22_B      P    22_B     2.434     0    0.030   0.061     2.821   62.857   62.585
LGA    I    23_B      I    23_B     1.780     0    0.080   0.102     3.297   72.976   66.071
LGA    V    24_B      V    24_B     1.189     0    0.053   1.320     3.741   83.690   77.279
LGA    K    25_B      K    25_B     1.355     0    0.021   0.172     2.546   81.429   72.222
LGA    L    26_B      L    26_B     1.225     0    0.023   1.279     3.346   77.143   75.417
LGA    N    27_B      N    27_B     2.342     0    0.028   0.180     3.288   61.190   62.976
LGA    R    28_B      R    28_B     2.905     0    0.054   1.275     4.860   53.810   52.381
LGA    V    29_B      V    29_B     2.877     0    0.034   0.051     3.000   55.357   57.211
LGA    V    30_B      V    30_B     2.757     0    0.039   0.282     2.976   57.143   58.231
LGA    P    31_B      P    31_B     3.486     0    0.030   0.082     3.606   48.333   49.116
LGA    E    32_B      E    32_B     3.819     4    0.045   0.065     4.067   40.238   22.011
LGA    D    33_B      D    33_B     4.480     0    0.029   0.647     5.957   37.143   32.381
LGA    A    34_B      A    34_B     3.600     0    0.021   0.032     3.892   43.333   44.667
LGA    A    35_B      A    35_B     3.082     0    0.046   0.052     3.329   55.476   55.810
LGA    D    36_B      D    36_B     2.338     0    0.034   0.176     3.632   66.905   58.512
LGA    V    37_B      V    37_B     1.262     0    0.049   1.366     3.086   79.286   73.333
LGA    Y    38_B      Y    38_B     1.243     0    0.021   0.227     3.559   83.690   66.230
LGA    V    39_B      V    39_B     1.005     0    0.044   1.327     2.624   81.429   75.782
LGA    K    40_B      K    40_B     1.969     0    0.009   0.122     4.196   68.810   57.937
LGA    L    41_B      L    41_B     2.149     0    0.091   1.255     3.281   59.167   60.179
LGA    E    42_B      E    42_B     2.964     0    0.113   1.209     6.814   53.571   45.608
LGA    F    43_B      F    43_B     3.809     0    0.070   0.354     4.542   40.476   43.766
LGA    F    44_B      F    44_B     4.659     0    0.237   0.730     6.650   27.024   37.532
LGA    N    45_B      N    45_B     4.842     0    0.102   1.004     5.688   34.405   32.381
LGA    P    46_B      P    46_B     6.407     0    0.025   0.271     8.333   21.786   15.238
LGA    G    47_B      G    47_B     2.353     0    0.201   0.201     5.047   49.524   49.524
LGA    G    48_B      G    48_B     3.769     0    0.033   0.033     5.302   40.952   40.952
LGA    S    49_B      S    49_B     3.204     0    0.057   0.076     3.259   50.000   50.000
LGA    I    50_B      I    50_B     3.202     0    0.163   1.137     5.189   51.786   51.607
LGA    K    51_B      K    51_B     3.300     2    0.188   0.797     3.741   51.786   39.735
LGA    D    52_B      D    52_B     2.680     0    0.042   0.295     4.615   65.000   53.631
LGA    R    53_B      R    53_B     0.551     0    0.101   0.920     7.029   83.690   56.147
LGA    I    54_B      I    54_B     1.941     0    0.112   1.343     5.247   68.810   57.798
LGA    A    55_B      A    55_B     2.447     0    0.057   0.073     2.958   64.762   63.238
LGA    L    56_B      L    56_B     1.374     0    0.022   0.157     1.685   81.548   83.750
LGA    A    57_B      A    57_B     1.132     0    0.080   0.079     1.247   81.429   81.429
LGA    M    58_B      M    58_B     1.614     0    0.060   0.276     2.474   72.857   69.821
LGA    I    59_B      I    59_B     1.318     0    0.021   0.136     2.108   81.429   78.274
LGA    E    60_B      E    60_B     1.211     0    0.021   0.211     1.277   81.429   82.434
LGA    E    61_B      E    61_B     1.270     0    0.029   1.329     4.362   81.429   66.085
LGA    A    62_B      A    62_B     1.182     0    0.033   0.044     1.254   81.429   81.429
LGA    E    63_B      E    63_B     1.341     0    0.062   0.279     1.739   81.429   79.524
LGA    K    64_B      K    64_B     1.418     4    0.051   0.058     1.418   81.429   45.238
LGA    A    65_B      A    65_B     1.331     0    0.100   0.105     1.572   81.429   79.714
LGA    G    66_B      G    66_B     1.457     0    0.139   0.139     1.539   79.286   79.286
LGA    K    67_B      K    67_B     1.276     4    0.047   0.079     1.485   81.429   45.238
LGA    L    68_B      L    68_B     1.349     0    0.036   0.165     1.838   77.143   80.417
LGA    Q    69_B      Q    69_B     2.382     4    0.039   0.064     3.043   66.786   35.238
LGA    A    70_B      A    70_B     2.282     0    0.063   0.084     2.697   62.857   61.714
LGA    G    71_B      G    71_B     2.018     0    0.072   0.072     2.302   64.762   64.762
LGA    G    72_B      G    72_B     1.854     0    0.032   0.032     1.868   72.857   72.857
LGA    T    73_B      T    73_B     1.719     0    0.036   0.067     2.068   72.857   71.701
LGA    I    74_B      I    74_B     1.201     0    0.033   0.109     1.509   79.286   83.750
LGA    V    75_B      V    75_B     1.671     0    0.029   0.091     2.394   77.143   74.150
LGA    E    76_B      E    76_B     1.637     0    0.054   0.184     2.188   68.810   75.873
LGA    P    77_B      P    77_B     2.725     0    0.186   0.187     3.041   59.048   57.279
LGA    T    78_B      T    78_B     2.981     0    0.136   0.357     3.538   51.905   54.150
LGA    S    79_B      S    79_B     3.964     0    0.644   0.570     6.114   50.357   40.000
LGA    G    80_B      G    80_B     2.106     0    0.438   0.438     2.496   64.762   64.762
LGA    N    81_B      N    81_B     2.426     3    0.143   0.155     3.098   64.762   38.631
LGA    T    82_B      T    82_B     2.675     0    0.085   0.140     3.395   60.952   56.259
LGA    G    83_B      G    83_B     1.560     0    0.032   0.032     1.870   75.000   75.000
LGA    V    84_B      V    84_B     1.858     0    0.029   1.329     4.653   72.857   67.007
LGA    G    85_B      G    85_B     2.305     0    0.037   0.037     2.305   64.762   64.762
LGA    L    86_B      L    86_B     1.765     0    0.044   0.534     1.866   72.857   77.202
LGA    A    87_B      A    87_B     1.199     0    0.051   0.051     1.414   81.429   81.429
LGA    M    88_B      M    88_B     1.833     0    0.067   0.715     2.748   72.857   67.857
LGA    V    89_B      V    89_B     2.440     0    0.048   1.333     5.028   64.762   59.320
LGA    A    90_B      A    90_B     1.682     0    0.053   0.053     2.065   70.833   72.952
LGA    A    91_B      A    91_B     1.411     0    0.015   0.023     2.155   75.119   76.381
LGA    A    92_B      A    92_B     2.701     0    0.114   0.111     2.935   59.048   58.667
LGA    K    93_B      K    93_B     2.814     0    0.042   0.709     3.021   55.357   62.540
LGA    G    94_B      G    94_B     2.427     0    0.100   0.100     2.427   64.762   64.762
LGA    Y    95_B      Y    95_B     1.439     0    0.075   0.143     1.694   77.143   80.000
LGA    H    96_B      H    96_B     1.315     0    0.054   1.038     2.797   81.429   73.095
LGA    L    97_B      L    97_B     1.031     0    0.048   0.163     1.305   81.429   85.952
LGA    V    98_B      V    98_B     1.886     0    0.032   1.336     4.563   72.857   67.007
LGA    I    99_B      I    99_B     2.000     0    0.023   0.688     2.851   65.000   67.976
LGA    T   100_B      T   100_B     3.270     0    0.018   0.080     3.514   51.786   50.068
LGA    M   101_B      M   101_B     4.222     0    0.033   0.651     4.978   35.833   37.262
LGA    P   102_B      P   102_B     5.681     0    0.022   0.281     5.969   22.619   23.469
LGA    E   103_B      E   103_B     6.324     0    0.028   0.169     7.600   15.238   12.381
LGA    T   104_B      T   104_B     6.923     0    0.020   0.038     7.876   13.333   11.088
LGA    M   105_B      M   105_B     6.049     0    0.101   1.175     6.238   17.143   27.679
LGA    S   106_B      S   106_B     5.751     0    0.417   0.705     7.192   22.738   18.492
LGA    V   107_B      V   107_B     5.284     0    0.656   1.331     7.296   27.619   24.762
LGA    E   108_B      E   108_B     6.072     0    0.031   1.397     8.978   22.976   14.074
LGA    R   109_B      R   109_B     3.703     4    0.028   0.643     4.532   49.167   31.515
LGA    R   110_B      R   110_B     2.727     0    0.103   1.159     6.404   55.357   42.121
LGA    K   111_B      K   111_B     3.199     0    0.061   0.694     4.046   53.571   48.783
LGA    L   112_B      L   112_B     2.528     0    0.069   1.246     4.510   62.976   54.226
LGA    M   113_B      M   113_B     1.557     0    0.012   0.212     2.267   77.143   73.988
LGA    Q   114_B      Q   114_B     1.618     0    0.031   0.150     3.210   77.143   65.291
LGA    G   115_B      G   115_B     1.324     0    0.039   0.039     1.520   83.810   83.810
LGA    Y   116_B      Y   116_B     0.697     0    0.052   0.099     2.645   92.857   79.762
LGA    G   117_B      G   117_B     0.693     0    0.074   0.074     1.374   88.214   88.214
LGA    A   118_B      A   118_B     1.059     0    0.023   0.023     1.816   79.405   81.619
LGA    E   119_B      E   119_B     2.442     0    0.047   0.660     4.291   62.976   54.392
LGA    L   120_B      L   120_B     2.960     0    0.042   1.028     3.936   50.238   49.345
LGA    I   121_B      I   121_B     4.040     1    0.016   0.065     4.427   38.690   33.274
LGA    L   122_B      L   122_B     5.034     0    0.041   1.267     6.346   26.310   27.143
LGA    T   123_B      T   123_B     5.911     0    0.038   0.092     6.414   19.286   20.884
LGA    P   124_B      P   124_B     7.494     0    0.030   0.085     8.032   10.119    8.912
LGA    G   125_B      G   125_B     8.000     0    0.054   0.054     8.379    5.952    5.952
LGA    A   126_B      A   126_B     9.307     0    0.034   0.041     9.862    2.500    2.095
LGA    D   127_B      D   127_B     7.271     0    0.063   0.388     8.151   11.905   10.714
LGA    G   128_B      G   128_B     6.879     0    0.056   0.056     7.088   14.405   14.405
LGA    M   129_B      M   129_B     5.522     0    0.046   0.482     6.178   24.048   26.667
LGA    K   130_B      K   130_B     5.610     4    0.058   0.107     5.835   22.619   12.434
LGA    G   131_B      G   131_B     5.907     0    0.026   0.026     5.939   23.810   23.810
LGA    A   132_B      A   132_B     4.453     0    0.041   0.048     5.078   37.500   37.429
LGA    I   133_B      I   133_B     3.573     0    0.094   0.153     4.005   45.000   44.226
LGA    A   134_B      A   134_B     4.455     0    0.039   0.049     5.028   37.143   34.952
LGA    K   135_B      K   135_B     4.441     0    0.031   0.620     5.237   37.143   34.709
LGA    A   136_B      A   136_B     3.108     0    0.057   0.061     3.601   50.119   51.524
LGA    E   137_B      E   137_B     2.933     2    0.070   0.131     3.348   51.786   42.910
LGA    E   138_B      E   138_B     4.114     0    0.026   0.826     7.476   40.238   29.365
LGA    L   139_B      L   139_B     3.540     0    0.043   1.230     5.750   46.667   44.821
LGA    V   140_B      V   140_B     3.006     0    0.144   1.346     4.805   50.000   51.633
LGA    K   141_B      K   141_B     3.816     4    0.023   0.074     4.240   40.238   22.011
LGA    E   142_B      E   142_B     4.268     4    0.024   0.078     4.451   37.143   20.635
LGA    K   143_B      K   143_B     3.625     4    0.046   0.065     3.847   45.000   25.556
LGA    G   144_B      G   144_B     3.369     0    0.036   0.036     3.466   51.786   51.786
LGA    Y   145_B      Y   145_B     2.435     0    0.013   0.084     2.911   62.857   60.952
LGA    F   146_B      F   146_B     1.587     0    0.047   0.098     1.809   77.143   81.558
LGA    M   147_B      M   147_B     1.236     0    0.031   0.052     2.041   81.429   77.202
LGA    P   148_B      P   148_B     0.936     0    0.638   0.708     2.893   79.881   83.129
LGA    M   149_B      M   149_B     2.614     3    0.323   0.358     2.833   67.143   40.714
LGA    Q   150_B      Q   150_B     3.231     4    0.681   0.631     5.083   48.571   24.497
LGA    F   151_B      F   151_B     2.553     0    0.110   1.227    11.186   66.905   29.697
LGA    D   152_B      D   152_B     4.339     3    0.108   0.130     6.194   34.405   19.345
LGA    N   153_B      N   153_B     7.443     3    0.094   0.119     8.515   14.643    7.679
LGA    P   154_B      P   154_B     8.262     0    0.242   0.253    10.642    2.857    1.905
LGA    A   155_B      A   155_B    12.785     0    0.577   0.574    14.614    0.000    0.000
LGA    H   160_B      H   160_B    12.355     5    0.645   0.622    13.160    0.000    0.000
LGA    E   161_B      E   161_B     8.669     0    0.099   0.734     9.799    4.405    5.661
LGA    E   162_B      E   162_B     7.207     0    0.184   0.972     7.707   10.119   10.476
LGA    T   163_B      T   163_B     8.898     0    0.107   1.185    10.531    2.619    2.585
LGA    T   164_B      T   164_B     9.700     0    0.041   0.155    10.564    1.548    0.884
LGA    G   165_B      G   165_B     7.401     0    0.055   0.055     8.092    8.690    8.690
LGA    K   166_B      K   166_B     6.857     4    0.058   0.077     7.577   10.238    6.032
LGA    E   167_B      E   167_B     9.281     0    0.064   0.863    10.061    1.786    1.481
LGA    I   168_B      I   168_B     9.413     0    0.038   0.099    10.094    1.548    1.131
LGA    L   169_B      L   169_B     7.730     0    0.039   0.428     8.723    4.881   12.381
LGA    E   170_B      E   170_B     9.388     0    0.027   0.748    10.703    1.071    1.429
LGA    A   171_B      A   171_B    11.252     0    0.110   0.112    12.088    0.000    0.000
LGA    F   172_B      F   172_B    10.138     0    0.092   0.152    10.333    0.000    0.736
LGA    G   173_B      G   173_B    10.914     0    0.655   0.655    10.914    0.119    0.119
LGA    D   174_B      D   174_B    11.561     0    0.134   0.227    14.671    0.000    0.000
LGA    D   175_B      D   175_B     9.520     0    0.200   0.375    10.329    2.500    1.845
LGA    I   176_B      I   176_B     5.524     0    0.124   0.142     6.915   23.095   23.750
LGA    P   177_B      P   177_B     3.246     0    0.079   0.422     4.040   48.333   47.279
LGA    D   178_B      D   178_B     2.837     0    0.015   0.157     4.477   60.952   52.202
LGA    A   179_B      A   179_B     1.793     0    0.044   0.045     2.148   70.833   71.238
LGA    F   180_B      F   180_B     1.469     0    0.021   0.179     2.200   79.286   72.987
LGA    V   181_B      V   181_B     0.935     0    0.022   1.333     2.716   83.690   78.163
LGA    A   182_B      A   182_B     1.476     0    0.057   0.086     1.828   77.143   76.286
LGA    G   183_B      G   183_B     1.619     0    0.042   0.042     1.619   75.000   75.000
LGA    V   184_B      V   184_B     1.937     0    0.144   0.658     4.084   66.905   64.354
LGA    G   185_B      G   185_B     2.824     0    0.056   0.056     4.432   50.595   50.595
LGA    T   186_B      T   186_B     5.570     0    0.054   0.108     7.162   24.048   19.524
LGA    G   187_B      G   187_B     3.709     0    0.049   0.049     4.205   43.452   43.452
LGA    G   188_B      G   188_B     4.909     0    0.108   0.108     4.909   34.286   34.286
LGA    T   189_B      T   189_B     4.047     0    0.027   0.121     4.917   41.905   38.231
LGA    L   190_B      L   190_B     2.207     0    0.020   0.173     2.684   62.857   66.845
LGA    T   191_B      T   191_B     2.564     0    0.017   0.124     3.423   59.048   56.190
LGA    G   192_B      G   192_B     3.396     0    0.030   0.030     3.396   50.000   50.000
LGA    V   193_B      V   193_B     3.089     0    0.059   1.330     5.255   53.571   50.748
LGA    G   194_B      G   194_B     2.194     0    0.058   0.058     2.438   64.762   64.762
LGA    H   195_B      H   195_B     2.689     0    0.047   0.217     2.963   59.048   59.429
LGA    A   196_B      A   196_B     3.475     0    0.015   0.028     3.808   48.333   47.333
LGA    L   197_B      L   197_B     3.076     0    0.036   1.238     4.216   51.786   49.345
LGA    K   198_B      K   198_B     2.487     0    0.062   0.749     3.214   59.048   63.386
LGA    K   199_B      K   199_B     3.070     2    0.093   0.527     4.290   51.786   36.825
LGA    A   200_B      A   200_B     3.385     0    0.040   0.051     3.617   50.000   48.667
LGA    N   201_B      N   201_B     3.040     0    0.028   0.128     3.614   53.571   50.952
LGA    P   202_B      P   202_B     2.349     0    0.062   0.067     2.695   62.857   61.497
LGA    N   203_B      N   203_B     2.318     0    0.028   1.122     3.787   64.762   60.179
LGA    V   204_B      V   204_B     2.477     0    0.021   0.043     2.703   66.786   62.653
LGA    Q   205_B      Q   205_B     1.781     0    0.023   0.365     2.805   72.857   69.312
LGA    I   206_B      I   206_B     1.487     0    0.021   0.074     2.018   79.286   75.060
LGA    Y   207_B      Y   207_B     1.039     0    0.041   0.103     1.669   81.429   82.976
LGA    A   208_B      A   208_B     1.475     0    0.067   0.065     1.747   81.429   79.714
LGA    L   209_B      L   209_B     1.709     0    0.015   0.279     2.494   70.833   70.833
LGA    E   210_B      E   210_B     2.524     0    0.027   0.433     2.726   59.048   64.921
LGA    P   211_B      P   211_B     3.194     0    0.057   0.355     3.619   50.000   49.048
LGA    A   212_B      A   212_B     3.427     0    0.564   0.510     3.610   48.333   48.667
LGA    P   236_B      P   236_B    14.803     0    0.478   0.912    15.912    0.000    0.000
LGA    K   237_B      K   237_B    15.205     0    0.533   0.930    18.990    0.000    0.000
LGA    V   238_B      V   238_B    14.993     0    0.617   0.911    17.308    0.000    0.000
LGA    L   239_B      L   239_B     9.089     0    0.144   1.434    11.236    1.786    6.607
LGA    D   240_B      D   240_B     7.213     0    0.024   0.065     8.621   18.690   13.631
LGA    T   241_B      T   241_B     3.698     0    0.081   0.136     6.135   53.095   40.340
LGA    D   242_B      D   242_B     2.236     0    0.196   0.179     3.756   66.905   58.512
LGA    V   243_B      V   243_B     1.614     0    0.146   1.334     3.143   77.143   72.109
LGA    Y   244_B      Y   244_B     1.052     0    0.052   0.962     4.757   85.952   70.119
LGA    N   245_B      N   245_B     0.924     0    0.029   0.245     1.714   88.214   84.881
LGA    G   246_B      G   246_B     1.059     0    0.062   0.062     1.059   88.214   88.214
LGA    I   247_B      I   247_B     0.927     0    0.031   0.101     1.319   90.476   85.952
LGA    L   248_B      L   248_B     1.266     0    0.026   1.242     2.888   77.143   74.345
LGA    E   249_B      E   249_B     2.107     0    0.102   0.658     2.676   64.881   64.868
LGA    I   250_B      I   250_B     3.004     0    0.040   0.122     3.471   51.786   54.464
LGA    K   251_B      K   251_B     4.153     2    0.064   0.112     4.991   38.690   28.307
LGA    S   252_B      S   252_B     4.544     0    0.020   0.568     5.575   34.286   31.667
LGA    D   253_B      D   253_B     4.992     0    0.033   0.499     5.760   31.429   28.869
LGA    D   254_B      D   254_B     4.026     0    0.064   0.594     5.425   40.238   36.607
LGA    A   255_B      A   255_B     3.425     0    0.059   0.077     3.671   45.000   44.667
LGA    I   256_B      I   256_B     4.398     0    0.009   0.141     5.300   37.143   32.976
LGA    T   257_B      T   257_B     4.394     0    0.055   0.101     4.928   40.238   36.463
LGA    M   258_B      M   258_B     3.219     0    0.027   0.071     3.687   50.119   53.631
LGA    A   259_B      A   259_B     3.173     0    0.046   0.051     3.386   50.000   50.000
LGA    R   260_B      R   260_B     3.812     0    0.027   1.352     9.879   43.333   26.537
LGA    E   261_B      E   261_B     3.348     0    0.060   0.313     4.261   51.905   45.820
LGA    V   262_B      V   262_B     2.170     0    0.043   1.334     3.343   64.881   60.612
LGA    G   263_B      G   263_B     2.393     0    0.061   0.061     2.430   64.762   64.762
LGA    H   264_B      H   264_B     2.948     0    0.086   0.158     4.379   57.143   48.952
LGA    Q   265_B      Q   265_B     2.563     0    0.039   1.066     5.089   60.952   53.915
LGA    E   266_B      E   266_B     1.556     0    0.029   0.122     1.881   77.143   78.571
LGA    G   267_B      G   267_B     1.254     0    0.059   0.059     1.431   81.429   81.429
LGA    I   268_B      I   268_B     1.293     0    0.047   0.178     1.930   77.143   81.548
LGA    L   269_B      L   269_B     2.567     0    0.070   0.107     3.783   57.262   52.024
LGA    V   270_B      V   270_B     2.825     0    0.050   0.090     3.574   51.905   55.238
LGA    G   271_B      G   271_B     3.901     0    0.047   0.047     3.901   46.667   46.667
LGA    I   272_B      I   272_B     3.914     0    0.032   0.192     5.260   45.000   38.333
LGA    S   273_B      S   273_B     3.168     0    0.107   0.540     3.618   51.905   50.159
LGA    A   274_B      A   274_B     2.432     0    0.065   0.061     2.593   64.881   63.333
LGA    G   275_B      G   275_B     2.650     0    0.042   0.042     2.650   59.048   59.048
LGA    A   276_B      A   276_B     2.636     0    0.054   0.055     2.885   60.952   60.190
LGA    N   277_B      N   277_B     1.914     0    0.012   0.068     2.318   72.976   69.881
LGA    I   278_B      I   278_B     1.594     0    0.065   0.164     1.760   72.857   75.000
LGA    K   279_B      K   279_B     2.228     0    0.036   0.141     3.956   64.762   56.667
LGA    G   280_B      G   280_B     1.623     0    0.031   0.031     1.860   77.143   77.143
LGA    A   281_B      A   281_B     1.042     0    0.025   0.028     1.357   81.429   83.238
LGA    I   282_B      I   282_B     1.892     0    0.037   0.143     2.450   68.810   66.786
LGA    E   283_B      E   283_B     2.290     0    0.098   0.141     2.670   62.857   62.222
LGA    V   284_B      V   284_B     1.740     0    0.045   1.351     3.495   70.833   69.660
LGA    A   285_B      A   285_B     2.146     0    0.028   0.040     2.932   62.976   63.333
LGA    K   286_B      K   286_B     3.148     0    0.024   0.318     4.885   50.119   47.249
LGA    K   287_B      K   287_B     3.333     2    0.098   0.187     3.760   48.333   39.735
LGA    L   288_B      L   288_B     3.373     0    0.033   1.247     4.368   45.119   47.738
LGA    G   289_B      G   289_B     4.159     0    0.029   0.029     4.271   38.690   38.690
LGA    K   290_B      K   290_B     4.528     2    0.019   0.496     5.074   30.119   25.926
LGA    G   291_B      G   291_B     4.768     0    0.096   0.096     4.768   34.286   34.286
LGA    K   292_B      K   292_B     3.698     0    0.021   0.541     5.003   45.119   40.847
LGA    Q   293_B      Q   293_B     2.791     0    0.060   0.648     5.736   57.262   43.492
LGA    V   294_B      V   294_B     1.585     0    0.049   1.348     3.275   77.143   72.109
LGA    I   295_B      I   295_B     1.484     0    0.033   1.316     4.274   79.286   71.667
LGA    T   296_B      T   296_B     1.150     0    0.048   0.152     1.347   81.429   82.721
LGA    V   297_B      V   297_B     1.862     0    0.043   0.102     2.174   72.857   69.388
LGA    A   298_B      A   298_B     2.224     0    0.053   0.056     2.889   60.952   61.714
LGA    P   299_B      P   299_B     3.254     0    0.079   0.265     4.410   46.905   49.252
LGA    D   300_B      D   300_B     4.755     0    0.126   0.326     6.791   38.810   30.357
LGA    G   301_B      G   301_B     3.981     0    0.037   0.037     4.555   37.262   37.262
LGA    G   302_B      G   302_B     4.246     0    0.103   0.103     4.639   37.262   37.262
LGA    D   303_B      D   303_B     4.400     0    0.278   0.672     6.163   29.405   32.560
LGA    R   304_B      R   304_B     5.434     6    0.114   0.118     5.988   25.119   11.515
LGA    Y   305_B      Y   305_B     5.646     0    0.029   0.136     5.868   22.619   27.183
LGA    L   306_B      L   306_B     5.896     0    0.046   1.254     7.621   19.286   20.536
LGA    S   307_B      S   307_B     7.258     0    0.150   0.672     8.358    8.810    8.254
LGA    T   308_B      T   308_B     7.432     0    0.041   0.161     7.432   10.833   10.476
LGA    E   309_B      E   309_B     7.632     3    0.109   0.549     8.375    8.571    5.450
LGA    L   310_B      L   310_B     6.049     0    0.085   0.131     6.727   18.333   22.321
LGA    F   311_B      F   311_B     5.614     0    0.334   0.507     5.866   22.619   29.870
LGA    N   312_B      N   312_B     7.403     0    0.447   1.140    12.587   12.500    6.429
LGA    Y   313_B      Y   313_B     6.882     0    0.253   0.183     7.134   11.667   19.087

# 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):     4.399          4.366                  4.620           50.902   47.735

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  313  281    4.0    199    2.50    61.744    56.262     7.654

LGA_LOCAL      RMSD:   2.500  Number of atoms:  199  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   4.498  Number of assigned atoms:  281 
Std_ASGN_ATOMS RMSD:   4.399  Standard rmsd on all 281 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.706730 * X  +  -0.230045 * Y  +  -0.669038 * Z  +   8.995320
  Y_new =  -0.370377 * X  +  -0.926022 * Y  +  -0.072835 * Z  +   7.620865
  Z_new =  -0.602789 * X  +   0.299271 * Y  +  -0.739650 * Z  +  25.427074 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.482719  0.646991  2.757117   [DEG:  -27.6578   37.0699  157.9712 ]
ZXZ: -1.462358  2.403347 -1.109971   [DEG:  -83.7869  137.7016  -63.5966 ]
 
# END of job
