
#######################################################
#                                                     #
#                        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       4.08     4.08
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   120      32_B - 151_B       1.98     4.37
  LONGEST_CONTINUOUS_SEGMENT:   120      33_B - 152_B       1.98     4.40
  LCS_AVERAGE:     29.88

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    79      70_B - 148_B       1.00     5.49
  LCS_AVERAGE:     18.20

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    4  281      0    3    3    3    5    5    7   14   14  118  137  154  171  191  216  245  257  266  269  271 
LCS_GDT     H     7_B     H     7_B      4   13  281      3    4    5    6   15   26   32   39  107  112  123  145  164  191  208  239  249  260  269  271 
LCS_GDT     T     8_B     T     8_B      4   14  281      3    5   10   14   27   97  105  116  127  154  178  219  240  256  262  266  268  269  271  273 
LCS_GDT     K     9_B     K     9_B     11   14  281      4   59   85  102  116  131  162  196  226  243  250  255  259  261  264  269  270  272  273  275 
LCS_GDT     I    10_B     I    10_B     11   14  281     16   65   89  109  128  157  201  221  238  246  250  255  259  261  266  269  271  272  273  275 
LCS_GDT     T    11_B     T    11_B     11   14  281      4   64   92  120  150  189  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     N    12_B     N    12_B     11   14  281      4   40   80  120  150  189  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     S    13_B     S    13_B     11   33  281      4   48   94  120  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     I    14_B     I    14_B     11   34  281     25   67   94  120  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     V    15_B     V    15_B     11   34  281     23   66   94  120  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     N    16_B     N    16_B     11   34  281     34   67   94  120  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     L    17_B     L    17_B     11   53  281      5   61   94  120  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     I    18_B     I    18_B     29   53  281      6   65  108  129  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     G    19_B     G    19_B     29   53  281      5   41  108  129  134  149  215  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     N    20_B     N    20_B     29   53  281      3   88  110  129  134  151  211  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     T    21_B     T    21_B     29   53  281     60   88  110  129  137  182  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     P    22_B     P    22_B     29   53  281     60   88  110  129  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     I    23_B     I    23_B     29   53  281     55   88  110  129  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     V    24_B     V    24_B     29   53  281     60   88  110  129  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     K    25_B     K    25_B     29   53  281     60   88  110  129  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     L    26_B     L    26_B     29   53  281     60   88  110  129  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     N    27_B     N    27_B     29   53  281     60   88  110  129  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     R    28_B     R    28_B     29   53  281     60   88  110  129  158  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     V    29_B     V    29_B     29   53  281     60   88  110  129  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     V    30_B     V    30_B     29   53  281     60   88  110  129  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     P    31_B     P    31_B     29   53  281     57   88  110  129  156  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     E    32_B     E    32_B     29  120  281     60   88  110  129  145  194  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     D    33_B     D    33_B     29  120  281     60   88  110  129  134  190  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     A    34_B     A    34_B     29  120  281     60   88  110  129  145  194  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     A    35_B     A    35_B     29  120  281     60   88  110  129  156  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     D    36_B     D    36_B     29  120  281     60   88  110  129  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     V    37_B     V    37_B     29  120  281     60   88  110  129  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     Y    38_B     Y    38_B     29  120  281     60   88  110  129  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     V    39_B     V    39_B     29  120  281     60   88  110  129  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     K    40_B     K    40_B     29  120  281     60   88  110  129  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     L    41_B     L    41_B     29  120  281     60   88  110  129  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     E    42_B     E    42_B     29  120  281     48   88  110  129  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     F    43_B     F    43_B     29  120  281     33   88  110  129  147  189  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     F    44_B     F    44_B     29  120  281      4   64  106  129  134  155  202  226  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     N    45_B     N    45_B     29  120  281     28   87  109  129  134  148  183  224  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     P    46_B     P    46_B     29  120  281      4   19   36  122  134  140  164  201  234  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     G    47_B     G    47_B     28  120  281     23   70   92  120  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     G    48_B     G    48_B     28  120  281      4    8   23   72  119  168  211  227  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     S    49_B     S    49_B     31  120  281      3   18   56   89  129  192  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     I    50_B     I    50_B     31  120  281      3   18   54   86  129  192  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     K    51_B     K    51_B     31  120  281      6   17   55   89  125  187  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     D    52_B     D    52_B     31  120  281     26   70   92  118  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     R    53_B     R    53_B     31  120  281     24   63   94  120  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     I    54_B     I    54_B     31  120  281     10   22   72  114  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     A    55_B     A    55_B     31  120  281      8   42   91  114  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     L    56_B     L    56_B     31  120  281     36   70   94  120  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     A    57_B     A    57_B     31  120  281     11   65   94  120  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     M    58_B     M    58_B     31  120  281     10   62   93  120  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     I    59_B     I    59_B     31  120  281     37   70   94  120  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     E    60_B     E    60_B     31  120  281     36   70   94  120  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     E    61_B     E    61_B     31  120  281     27   70   94  120  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     A    62_B     A    62_B     31  120  281     38   70   94  120  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     E    63_B     E    63_B     31  120  281     36   70   94  120  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     K    64_B     K    64_B     31  120  281     36   70   94  120  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     A    65_B     A    65_B     31  120  281     36   70   94  120  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     G    66_B     G    66_B     31  120  281     17   70   94  120  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     K    67_B     K    67_B     35  120  281     20   70   94  120  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     L    68_B     L    68_B     37  120  281     12   70   94  120  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     Q    69_B     Q    69_B     37  120  281     29   70   94  120  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     A    70_B     A    70_B     79  120  281      3   65   94  120  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     G    71_B     G    71_B     79  120  281     38   70   94  120  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     G    72_B     G    72_B     79  120  281     38   70   94  120  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     T    73_B     T    73_B     79  120  281     38   70   94  120  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     I    74_B     I    74_B     79  120  281     38   70   94  120  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     V    75_B     V    75_B     79  120  281     38   70   94  120  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     E    76_B     E    76_B     79  120  281     23   70   94  120  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     P    77_B     P    77_B     79  120  281     38   70   94  120  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     T    78_B     T    78_B     79  120  281     38   70   94  120  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     S    79_B     S    79_B     79  120  281     24   66   94  120  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     G    80_B     G    80_B     79  120  281      4   37   93  120  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     N    81_B     N    81_B     79  120  281      7   65  107  125  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     T    82_B     T    82_B     79  120  281     14   43   97  120  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     G    83_B     G    83_B     79  120  281     15   65   94  120  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     V    84_B     V    84_B     79  120  281     15   65   94  120  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     G    85_B     G    85_B     79  120  281     15   62   92  120  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     L    86_B     L    86_B     79  120  281     15   62   92  120  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     A    87_B     A    87_B     79  120  281     33   68   94  120  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     M    88_B     M    88_B     79  120  281     33   68   92  120  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     V    89_B     V    89_B     79  120  281     15   65   92  120  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     A    90_B     A    90_B     79  120  281     20   68   92  120  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     A    91_B     A    91_B     79  120  281     38   70   94  120  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     A    92_B     A    92_B     79  120  281     16   68   92  120  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     K    93_B     K    93_B     79  120  281     15   68   92  120  158  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     G    94_B     G    94_B     79  120  281     36   68   92  120  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     Y    95_B     Y    95_B     79  120  281     38   70   94  120  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     H    96_B     H    96_B     79  120  281     38   70   94  120  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     L    97_B     L    97_B     79  120  281     38   70   94  120  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     V    98_B     V    98_B     79  120  281     38   70   94  120  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     I    99_B     I    99_B     79  120  281     38   70   94  120  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     T   100_B     T   100_B     79  120  281     38   70   94  120  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     M   101_B     M   101_B     79  120  281     38   70   94  120  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     P   102_B     P   102_B     79  120  281     38   70   94  120  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     E   103_B     E   103_B     79  120  281     38   70   94  120  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     T   104_B     T   104_B     79  120  281     30   70   94  120  153  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     M   105_B     M   105_B     79  120  281      3   39   78  112  151  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     S   106_B     S   106_B     79  120  281      3    3    3   88  137  187  211  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     V   107_B     V   107_B     79  120  281      8   22   73  101  151  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     E   108_B     E   108_B     79  120  281      4   65   93  120  159  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     R   109_B     R   109_B     79  120  281     37   70   94  120  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     R   110_B     R   110_B     79  120  281     21   70   93  120  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     K   111_B     K   111_B     79  120  281     26   70   94  120  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     L   112_B     L   112_B     79  120  281     38   70   94  120  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     M   113_B     M   113_B     79  120  281     38   70   94  120  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     Q   114_B     Q   114_B     79  120  281     38   70   94  120  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     G   115_B     G   115_B     79  120  281     38   70   94  120  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     Y   116_B     Y   116_B     79  120  281     38   70   94  120  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     G   117_B     G   117_B     79  120  281     38   70   94  120  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     A   118_B     A   118_B     79  120  281     38   70   94  120  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     E   119_B     E   119_B     79  120  281     38   70   94  120  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     L   120_B     L   120_B     79  120  281     38   70   94  120  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     I   121_B     I   121_B     79  120  281     38   70   94  120  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     L   122_B     L   122_B     79  120  281     38   70   94  120  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     T   123_B     T   123_B     79  120  281     33   70   94  120  158  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     P   124_B     P   124_B     79  120  281     11   65   92  118  145  185  214  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     G   125_B     G   125_B     79  120  281     19   68   92  120  145  183  214  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     A   126_B     A   126_B     79  120  281      4   58   88  109  133  164  192  222  235  244  249  253  259  262  267  269  271  272  273  274 
LCS_GDT     D   127_B     D   127_B     79  120  281     38   70   94  120  145  185  215  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     G   128_B     G   128_B     79  120  281     38   70   94  120  158  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     M   129_B     M   129_B     79  120  281     36   70   94  120  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     K   130_B     K   130_B     79  120  281     38   70   94  120  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     G   131_B     G   131_B     79  120  281     38   70   94  120  158  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     A   132_B     A   132_B     79  120  281     38   70   94  120  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     I   133_B     I   133_B     79  120  281     38   70   94  120  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     A   134_B     A   134_B     79  120  281     38   70   94  120  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     K   135_B     K   135_B     79  120  281     38   70   94  120  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     A   136_B     A   136_B     79  120  281     38   70   94  120  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     E   137_B     E   137_B     79  120  281     38   70   94  120  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     E   138_B     E   138_B     79  120  281     38   70   94  120  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     L   139_B     L   139_B     79  120  281     38   70   94  120  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     V   140_B     V   140_B     79  120  281     28   70   94  120  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     K   141_B     K   141_B     79  120  281     26   70   94  120  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     E   142_B     E   142_B     79  120  281     21   70   94  120  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     K   143_B     K   143_B     79  120  281     26   70   94  120  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     G   144_B     G   144_B     79  120  281     31   70   94  120  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     Y   145_B     Y   145_B     79  120  281     34   70   94  120  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     F   146_B     F   146_B     79  120  281     38   70   94  120  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     M   147_B     M   147_B     79  120  281     38   70   94  120  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     P   148_B     P   148_B     79  120  281     36   70   94  120  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     M   149_B     M   149_B     68  120  281      3    6   58  104  151  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     Q   150_B     Q   150_B     68  120  281      7   60   86  106  154  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     F   151_B     F   151_B     44  120  281      3    6   40   98  152  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     D   152_B     D   152_B      6  120  281      3   15   21   75  102  160  199  228  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     N   153_B     N   153_B      6  119  281      3   17   26   46   71  114  131  149  199  210  248  254  259  262  267  269  271  272  273  275 
LCS_GDT     P   154_B     P   154_B      6  119  281      3    9   24   43   60   93  106  149  170  218  237  253  258  262  267  269  271  272  273  275 
LCS_GDT     A   155_B     A   155_B      6  110  281      3    6    6    7    9   24   45   70   80  100  116  138  167  212  221  246  265  271  273  274 
LCS_GDT     H   160_B     H   160_B      4   16  281      3    4    4    7   13   20   21   25   34   62   80   97  124  170  242  261  266  269  271  274 
LCS_GDT     E   161_B     E   161_B      5   16  281      3    4    6   13   22   46  101  150  198  224  238  251  258  262  267  269  271  272  273  275 
LCS_GDT     E   162_B     E   162_B     12   16  281      3    7   19   40   69   98  111  176  205  230  248  254  259  262  267  269  271  272  273  275 
LCS_GDT     T   163_B     T   163_B     12   16  281      8   11   13   18   31   57   93  131  177  209  228  241  256  262  267  269  271  272  273  275 
LCS_GDT     T   164_B     T   164_B     12   16  281      8   11   13   16   27   35   46   73  109  182  226  237  251  262  267  269  271  272  273  275 
LCS_GDT     G   165_B     G   165_B     12   16  281      8   11   16   24   44   78  129  184  219  232  248  255  259  262  267  269  271  272  273  275 
LCS_GDT     K   166_B     K   166_B     12   16  281      8   11   13   38   60   98  149  193  225  243  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     E   167_B     E   167_B     12   16  281      8   11   14   36   50   69   94  131  147  166  224  244  257  262  267  269  271  272  273  275 
LCS_GDT     I   168_B     I   168_B     12   16  281      8   11   13   21   47   81  106  136  147  158  217  237  256  262  267  269  271  272  273  275 
LCS_GDT     L   169_B     L   169_B     12   16  281      8   17   48  110  127  137  142  149  174  227  249  254  259  262  267  269  271  272  273  275 
LCS_GDT     E   170_B     E   170_B     12   16  281      8   11   30   80  115  137  140  143  149  162  190  240  255  262  267  269  271  272  273  275 
LCS_GDT     A   171_B     A   171_B     12   16  281      7   11   14   29   60   92  119  133  144  150  155  172  182  215  251  266  271  272  273  275 
LCS_GDT     F   172_B     F   172_B     12   16  281      8   11   16   33   63  100  122  139  147  152  161  183  223  262  267  269  271  272  273  275 
LCS_GDT     G   173_B     G   173_B     12   16  281      5   11   11   16   32   70   96  116  132  146  153  158  179  215  247  267  271  272  273  275 
LCS_GDT     D   174_B     D   174_B      5   39  281      3    7   13   28   43   73  110  128  140  149  153  158  171  196  213  247  269  272  273  275 
LCS_GDT     D   175_B     D   175_B      5   39  281      3    7   15   33   63  100  127  140  147  152  171  214  250  262  267  269  271  272  273  275 
LCS_GDT     I   176_B     I   176_B      5   39  281      3    4   24   33   76  106  127  139  147  152  172  229  250  262  267  269  271  272  273  275 
LCS_GDT     P   177_B     P   177_B     14   39  281      3   77  105  125  134  148  208  228  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     D   178_B     D   178_B     18   39  281     60   88  110  129  159  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     A   179_B     A   179_B     22   39  281     60   88  110  129  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     F   180_B     F   180_B     22   39  281     60   88  110  129  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     V   181_B     V   181_B     22   39  281     60   88  110  129  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     A   182_B     A   182_B     22   39  281     60   88  110  129  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     G   183_B     G   183_B     22   39  281     22   88  110  129  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     V   184_B     V   184_B     22   39  281     22   88  110  129  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     G   185_B     G   185_B     22   39  281     14   61  108  127  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     T   186_B     T   186_B     22   39  281      8   17   48   88  131  137  156  212  238  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     G   187_B     G   187_B     22   39  281      8   43   90  125  141  189  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     G   188_B     G   188_B     22   39  281      8   37   80  100  131  146  200  228  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     T   189_B     T   189_B     22   39  281      8   31   68  113  134  186  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     L   190_B     L   190_B     23   39  281     22   88  110  129  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     T   191_B     T   191_B     23   39  281     36   67  108  129  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     G   192_B     G   192_B     23   39  281     14   61  108  129  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     V   193_B     V   193_B     23   39  281     21   87  110  129  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     G   194_B     G   194_B     23   39  281     12   82  110  129  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     H   195_B     H   195_B     23   39  281     10   72  110  129  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     A   196_B     A   196_B     23   39  281     19   87  110  129  158  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     L   197_B     L   197_B     23   39  281      7   84  110  129  159  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     K   198_B     K   198_B     23   39  281      7   46  108  129  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     K   199_B     K   199_B     23   39  281     10   69  110  129  158  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     A   200_B     A   200_B     23   39  281     10   58  109  129  159  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     N   201_B     N   201_B     23   39  281     14   74  110  129  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     P   202_B     P   202_B     23   39  281      8   72  110  129  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     N   203_B     N   203_B     23   39  281     22   87  110  129  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     V   204_B     V   204_B     23   39  281     38   88  110  129  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     Q   205_B     Q   205_B     23   39  281     42   88  110  129  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     I   206_B     I   206_B     23   39  281     48   88  110  129  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     Y   207_B     Y   207_B     23   39  281     60   88  110  129  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     A   208_B     A   208_B     23   39  281     60   88  110  129  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     L   209_B     L   209_B     23   39  281     33   88  110  129  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     E   210_B     E   210_B     23   39  281     60   88  110  129  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     P   211_B     P   211_B     23   39  281     22   88  110  129  146  194  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     A   212_B     A   212_B     23   39  281     22   79  109  129  145  189  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     P   236_B     P   236_B      3   37  281      0    3    3    8   11   26   33   55   98  122  144  151  155  163  182  202  210  251  264  275 
LCS_GDT     K   237_B     K   237_B      3   77  281      1    3    9   12   20   30   37   86   98  108  117  142  152  160  193  202  227  239  264  275 
LCS_GDT     V   238_B     V   238_B      5   77  281      3    7   13   20   31   42   51   66  100  116  132  142  152  158  193  202  228  232  258  275 
LCS_GDT     L   239_B     L   239_B      6   77  281      4    8   15   33   54   91  132  141  147  165  222  232  256  262  267  269  271  272  273  275 
LCS_GDT     D   240_B     D   240_B      6   77  281      4   16   70  100  126  137  156  178  204  239  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     T   241_B     T   241_B     72   77  281      4   46  102  129  146  189  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     D   242_B     D   242_B     72   77  281     27   88  110  129  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     V   243_B     V   243_B     72   77  281     14   81  110  129  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     Y   244_B     Y   244_B     72   77  281     24   88  110  129  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     N   245_B     N   245_B     72   77  281     24   88  110  129  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     G   246_B     G   246_B     72   77  281     51   88  110  129  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     I   247_B     I   247_B     72   77  281     52   88  110  129  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     L   248_B     L   248_B     72   77  281     57   88  110  129  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     E   249_B     E   249_B     72   77  281     60   88  110  129  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     I   250_B     I   250_B     72   77  281     60   88  110  129  157  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     K   251_B     K   251_B     72   77  281     60   88  110  129  149  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     S   252_B     S   252_B     72   77  281     15   84  110  129  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     D   253_B     D   253_B     72   77  281     19   69  109  129  156  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     D   254_B     D   254_B     72   77  281     17   79  110  129  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     A   255_B     A   255_B     72   77  281     17   72  110  129  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     I   256_B     I   256_B     72   77  281     28   88  110  129  157  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     T   257_B     T   257_B     72   77  281     38   88  110  129  156  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     M   258_B     M   258_B     72   77  281     21   87  110  129  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     A   259_B     A   259_B     72   77  281     42   88  110  129  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     R   260_B     R   260_B     72   77  281     60   88  110  129  157  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     E   261_B     E   261_B     72   77  281     53   88  110  129  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     V   262_B     V   262_B     72   77  281     60   88  110  129  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     G   263_B     G   263_B     72   77  281     60   88  110  129  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     H   264_B     H   264_B     72   77  281     60   88  110  129  156  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     Q   265_B     Q   265_B     72   77  281     53   88  110  129  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     E   266_B     E   266_B     72   77  281     60   88  110  129  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     G   267_B     G   267_B     72   77  281     60   88  110  129  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     I   268_B     I   268_B     72   77  281     60   88  110  129  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     L   269_B     L   269_B     72   77  281     60   88  110  129  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     V   270_B     V   270_B     72   77  281      5   88  110  129  150  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     G   271_B     G   271_B     72   77  281     33   88  110  129  134  160  212  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     I   272_B     I   272_B     72   77  281     20   88  110  129  134  160  212  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     S   273_B     S   273_B     72   77  281     60   88  110  129  146  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     A   274_B     A   274_B     72   77  281     60   88  110  129  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     G   275_B     G   275_B     72   77  281     60   88  110  129  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     A   276_B     A   276_B     72   77  281     60   88  110  129  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     N   277_B     N   277_B     72   77  281     60   88  110  129  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     I   278_B     I   278_B     72   77  281     60   88  110  129  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     K   279_B     K   279_B     72   77  281     60   88  110  129  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     G   280_B     G   280_B     72   77  281     60   88  110  129  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     A   281_B     A   281_B     72   77  281     60   88  110  129  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     I   282_B     I   282_B     72   77  281     60   88  110  129  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     E   283_B     E   283_B     72   77  281     60   88  110  129  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     V   284_B     V   284_B     72   77  281     60   88  110  129  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     A   285_B     A   285_B     72   77  281     60   88  110  129  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     K   286_B     K   286_B     72   77  281     60   88  110  129  158  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     K   287_B     K   287_B     72   77  281     60   88  110  129  158  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     L   288_B     L   288_B     72   77  281     60   88  110  129  156  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     G   289_B     G   289_B     72   77  281     60   88  110  129  134  194  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     K   290_B     K   290_B     72   77  281     47   88  110  129  137  194  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     G   291_B     G   291_B     72   77  281     19   70  110  129  134  166  214  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     K   292_B     K   292_B     72   77  281     38   88  110  129  134  194  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     Q   293_B     Q   293_B     72   77  281     60   88  110  129  156  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     V   294_B     V   294_B     72   77  281     60   88  110  129  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     I   295_B     I   295_B     72   77  281     60   88  110  129  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     T   296_B     T   296_B     72   77  281     38   88  110  129  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     V   297_B     V   297_B     72   77  281     60   88  110  129  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     A   298_B     A   298_B     72   77  281     60   88  110  129  160  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     P   299_B     P   299_B     72   77  281     60   88  110  129  149  195  216  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     D   300_B     D   300_B     72   77  281      6   52  106  129  134  140  179  224  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     G   301_B     G   301_B     72   77  281     14   82  110  129  134  163  208  229  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     G   302_B     G   302_B     72   77  281     33   88  109  129  134  140  194  228  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     D   303_B     D   303_B     72   77  281     57   88  110  129  134  146  203  228  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     R   304_B     R   304_B     72   77  281      4   88  110  129  134  141  196  226  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     Y   305_B     Y   305_B     72   77  281     44   88  110  129  134  140  159  225  238  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     L   306_B     L   306_B     72   77  281      5   88  110  129  134  141  186  226  240  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     S   307_B     S   307_B     72   77  281     40   88  110  129  134  140  153  200  237  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     T   308_B     T   308_B     72   77  281     33   88  109  129  134  140  153  187  234  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     E   309_B     E   309_B     72   77  281      8   78  106  129  134  140  153  176  227  245  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     L   310_B     L   310_B     72   77  281      5   65  107  129  134  140  176  215  238  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     F   311_B     F   311_B     72   77  281      3   12  105  129  134  140  153  203  237  246  250  255  259  262  267  269  271  272  273  275 
LCS_GDT     N   312_B     N   312_B     72   77  281      3   75   99  114  132  137  144  158  188  227  249  255  259  262  267  269  271  272  273  275 
LCS_GDT     Y   313_B     Y   313_B     72   77  281      3    3   22   54  127  138  148  169  203  230  249  255  259  262  267  269  271  272  273  275 
LCS_AVERAGE  LCS_A:  49.36  (  18.20   29.88  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     60     88    110    129    160    195    216    229    240    246    250    255    259    262    267    269    271    272    273    275 
GDT PERCENT_AT  21.35  31.32  39.15  45.91  56.94  69.40  76.87  81.49  85.41  87.54  88.97  90.75  92.17  93.24  95.02  95.73  96.44  96.80  97.15  97.86
GDT RMS_LOCAL    0.33   0.51   0.81   1.04   1.70   1.95   2.13   2.27   2.41   2.54   2.62   2.76   2.86   3.03   3.23   3.26   3.39   3.41   3.47   3.74
GDT RMS_ALL_AT   6.74   6.72   6.12   6.10   4.21   4.19   4.18   4.18   4.17   4.16   4.16   4.14   4.13   4.11   4.10   4.10   4.10   4.10   4.10   4.09

# Checking swapping
#   possible swapping detected:  D    33_B      D    33_B
#   possible swapping detected:  F    43_B      F    43_B
#   possible swapping detected:  F    44_B      F    44_B
#   possible swapping detected:  E    60_B      E    60_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   108_B      E   108_B
#   possible swapping detected:  E   138_B      E   138_B
#   possible swapping detected:  E   161_B      E   161_B
#   possible swapping detected:  E   162_B      E   162_B
#   possible swapping detected:  E   170_B      E   170_B
#   possible swapping detected:  F   172_B      F   172_B
#   possible swapping detected:  Y   207_B      Y   207_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:  D   254_B      D   254_B
#   possible swapping detected:  E   261_B      E   261_B
#   possible swapping detected:  E   266_B      E   266_B
#   possible swapping detected:  D   300_B      D   300_B
#   possible swapping detected:  D   303_B      D   303_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    H     6_B      H     6_B    15.417     0    0.577   1.364    16.807    0.000    0.000
LGA    H     7_B      H     7_B    14.323     0    0.628   0.808    20.222    0.000    0.000
LGA    T     8_B      T     8_B    10.267     0    0.096   1.144    12.704    1.429    0.884
LGA    K     9_B      K     9_B     6.385     4    0.115   0.121     7.685   13.690    8.466
LGA    I    10_B      I    10_B     5.270     0    0.095   0.313     7.739   31.667   24.821
LGA    T    11_B      T    11_B     3.343     0    0.049   1.064     4.189   45.119   47.483
LGA    N    12_B      N    12_B     3.388     0    0.183   1.097     7.553   53.571   36.488
LGA    S    13_B      S    13_B     2.488     0    0.151   0.185     2.853   62.857   62.222
LGA    I    14_B      I    14_B     1.549     0    0.088   0.126     1.955   77.143   78.214
LGA    V    15_B      V    15_B     0.919     0    0.040   1.351     3.252   83.690   76.054
LGA    N    16_B      N    16_B     2.346     0    0.090   0.189     2.978   64.881   61.012
LGA    L    17_B      L    17_B     2.508     0    0.034   1.021     4.344   57.262   55.714
LGA    I    18_B      I    18_B     2.455     0    0.064   0.082     3.110   57.381   62.143
LGA    G    19_B      G    19_B     4.021     0    0.692   0.692     4.551   40.476   40.476
LGA    N    20_B      N    20_B     4.003     0    0.083   0.232     4.968   41.905   40.357
LGA    T    21_B      T    21_B     3.464     0    0.024   0.162     4.133   48.333   45.306
LGA    P    22_B      P    22_B     2.327     0    0.030   0.141     2.803   62.857   62.585
LGA    I    23_B      I    23_B     1.718     0    0.092   0.176     3.154   72.976   66.071
LGA    V    24_B      V    24_B     1.387     0    0.149   1.058     3.058   81.429   76.939
LGA    K    25_B      K    25_B     1.419     0    0.018   0.130     2.835   81.429   70.529
LGA    L    26_B      L    26_B     1.179     0    0.063   0.110     2.019   75.119   81.667
LGA    N    27_B      N    27_B     2.027     0    0.188   0.217     3.211   65.238   65.000
LGA    R    28_B      R    28_B     2.540     0    0.045   1.038     3.538   60.952   59.437
LGA    V    29_B      V    29_B     2.276     0    0.082   0.100     2.313   64.762   69.592
LGA    V    30_B      V    30_B     2.333     0    0.103   0.635     3.645   57.500   57.551
LGA    P    31_B      P    31_B     3.041     0    0.101   0.296     3.227   51.786   56.395
LGA    E    32_B      E    32_B     3.500     4    0.031   0.050     3.658   45.000   24.815
LGA    D    33_B      D    33_B     3.856     0    0.067   0.581     5.501   45.000   39.881
LGA    A    34_B      A    34_B     3.287     0    0.024   0.063     3.531   48.333   50.095
LGA    A    35_B      A    35_B     2.913     0    0.094   0.104     3.076   59.167   58.762
LGA    D    36_B      D    36_B     2.100     0    0.064   0.214     2.918   68.810   63.929
LGA    V    37_B      V    37_B     1.252     0    0.036   0.122     1.476   83.690   86.599
LGA    Y    38_B      Y    38_B     1.380     0    0.027   0.297     2.875   81.429   70.437
LGA    V    39_B      V    39_B     1.306     0    0.055   0.899     2.645   77.143   74.286
LGA    K    40_B      K    40_B     1.811     0    0.034   0.179     4.086   75.000   60.688
LGA    L    41_B      L    41_B     2.039     0    0.138   0.125     3.249   61.190   70.238
LGA    E    42_B      E    42_B     2.636     0    0.121   1.241     6.259   57.262   50.688
LGA    F    43_B      F    43_B     3.346     0    0.078   1.341     6.932   45.119   34.848
LGA    F    44_B      F    44_B     4.412     0    0.135   0.665     5.877   33.333   37.619
LGA    N    45_B      N    45_B     4.503     0    0.106   1.073     5.454   40.476   36.012
LGA    P    46_B      P    46_B     5.648     0    0.048   0.242     7.623   27.738   20.748
LGA    G    47_B      G    47_B     1.832     0    0.250   0.250     5.294   53.452   53.452
LGA    G    48_B      G    48_B     4.021     0    0.077   0.077     5.351   39.405   39.405
LGA    S    49_B      S    49_B     3.265     0    0.081   0.089     3.275   50.000   50.000
LGA    I    50_B      I    50_B     3.287     0    0.137   1.428     5.872   51.786   46.488
LGA    K    51_B      K    51_B     3.391     2    0.157   0.472     3.906   51.905   39.048
LGA    D    52_B      D    52_B     2.451     0    0.052   0.188     4.724   66.905   55.357
LGA    R    53_B      R    53_B     0.487     0    0.097   0.927     7.210   88.333   55.455
LGA    I    54_B      I    54_B     2.246     0    0.051   1.312     6.404   66.786   52.500
LGA    A    55_B      A    55_B     2.434     0    0.042   0.064     2.883   66.786   64.857
LGA    L    56_B      L    56_B     1.287     0    0.035   0.109     1.579   79.286   84.881
LGA    A    57_B      A    57_B     1.423     0    0.062   0.099     1.724   79.286   78.000
LGA    M    58_B      M    58_B     1.732     0    0.049   0.832     3.273   72.857   68.095
LGA    I    59_B      I    59_B     1.330     0    0.030   0.192     1.901   83.690   81.488
LGA    E    60_B      E    60_B     1.211     0    0.039   0.748     2.518   81.429   72.328
LGA    E    61_B      E    61_B     1.237     0    0.061   1.240     4.079   81.429   67.460
LGA    A    62_B      A    62_B     1.017     0    0.039   0.053     1.168   85.952   85.048
LGA    E    63_B      E    63_B     1.064     0    0.078   0.335     1.597   85.952   81.534
LGA    K    64_B      K    64_B     1.185     4    0.038   0.054     1.362   81.429   45.238
LGA    A    65_B      A    65_B     1.199     0    0.267   0.260     1.910   79.286   78.000
LGA    G    66_B      G    66_B     1.104     0    0.147   0.147     1.274   85.952   85.952
LGA    K    67_B      K    67_B     1.135     4    0.153   0.167     1.757   79.286   43.333
LGA    L    68_B      L    68_B     0.811     0    0.056   1.382     2.928   85.952   78.750
LGA    Q    69_B      Q    69_B     1.554     4    0.093   0.186     2.106   75.000   40.529
LGA    A    70_B      A    70_B     2.132     0    0.033   0.053     2.684   70.833   68.095
LGA    G    71_B      G    71_B     2.125     0    0.184   0.184     2.239   64.762   64.762
LGA    G    72_B      G    72_B     1.764     0    0.060   0.060     1.834   72.857   72.857
LGA    T    73_B      T    73_B     1.505     0    0.064   0.885     3.149   77.143   70.884
LGA    I    74_B      I    74_B     1.169     0    0.025   0.142     1.465   83.690   83.690
LGA    V    75_B      V    75_B     1.158     0    0.069   0.647     2.529   85.952   78.095
LGA    E    76_B      E    76_B     0.905     0    0.111   0.276     1.304   88.214   88.519
LGA    P    77_B      P    77_B     1.338     0    0.066   0.165     1.711   81.429   80.204
LGA    T    78_B      T    78_B     1.324     0    0.225   0.496     2.351   77.262   77.823
LGA    S    79_B      S    79_B     1.184     0    0.699   0.897     3.009   73.571   70.714
LGA    G    80_B      G    80_B     1.880     0    0.060   0.060     1.880   75.000   75.000
LGA    N    81_B      N    81_B     2.168     3    0.103   0.123     3.074   64.762   38.631
LGA    T    82_B      T    82_B     2.326     0    0.069   0.186     3.061   66.786   61.633
LGA    G    83_B      G    83_B     1.121     0    0.056   0.056     1.389   81.429   81.429
LGA    V    84_B      V    84_B     1.489     0    0.042   1.129     4.083   77.143   71.429
LGA    G    85_B      G    85_B     2.104     0    0.027   0.027     2.182   66.786   66.786
LGA    L    86_B      L    86_B     1.849     0    0.027   1.382     2.597   72.857   73.274
LGA    A    87_B      A    87_B     1.299     0    0.056   0.065     1.453   81.429   81.429
LGA    M    88_B      M    88_B     1.848     0    0.075   0.959     2.536   68.810   67.917
LGA    V    89_B      V    89_B     2.539     0    0.056   0.181     3.051   60.952   58.299
LGA    A    90_B      A    90_B     2.136     0    0.064   0.068     2.488   64.762   66.381
LGA    A    91_B      A    91_B     1.740     0    0.028   0.040     2.354   68.810   71.333
LGA    A    92_B      A    92_B     2.805     0    0.042   0.050     3.221   57.262   57.238
LGA    K    93_B      K    93_B     2.877     0    0.050   1.135     3.502   55.357   55.820
LGA    G    94_B      G    94_B     2.663     0    0.176   0.176     2.663   60.952   60.952
LGA    Y    95_B      Y    95_B     1.605     0    0.103   0.096     1.938   72.857   77.143
LGA    H    96_B      H    96_B     1.328     0    0.077   1.074     7.328   79.286   50.952
LGA    L    97_B      L    97_B     0.882     0    0.046   0.156     1.057   88.214   90.536
LGA    V    98_B      V    98_B     1.149     0    0.031   0.100     1.415   81.429   81.429
LGA    I    99_B      I    99_B     0.948     0    0.059   0.602     1.623   83.690   84.881
LGA    T   100_B      T   100_B     1.676     0    0.033   0.099     2.194   72.857   71.701
LGA    M   101_B      M   101_B     1.817     0    0.075   0.451     2.026   70.833   73.988
LGA    P   102_B      P   102_B     2.416     0    0.062   0.291     2.504   64.762   64.830
LGA    E   103_B      E   103_B     2.454     0    0.074   0.616     3.429   59.048   58.889
LGA    T   104_B      T   104_B     2.898     0    0.079   1.231     5.642   55.357   43.946
LGA    M   105_B      M   105_B     3.201     0    0.053   1.196     4.233   48.571   47.679
LGA    S   106_B      S   106_B     3.778     0    0.464   0.455     6.670   52.024   41.270
LGA    V   107_B      V   107_B     3.382     0    0.620   0.950     6.543   43.690   41.429
LGA    E   108_B      E   108_B     2.571     0    0.052   0.678     6.985   65.000   44.974
LGA    R   109_B      R   109_B     0.959     4    0.069   0.581     1.743   83.690   53.506
LGA    R   110_B      R   110_B     1.520     0    0.040   1.030     3.444   79.286   72.381
LGA    K   111_B      K   111_B     1.518     0    0.026   1.004     2.729   77.143   72.169
LGA    L   112_B      L   112_B     1.094     0    0.067   1.422     4.128   85.952   70.357
LGA    M   113_B      M   113_B     0.700     0    0.052   0.583     2.389   92.857   88.452
LGA    Q   114_B      Q   114_B     0.702     0    0.020   0.936     2.782   92.857   78.307
LGA    G   115_B      G   115_B     0.815     0    0.080   0.080     1.213   88.214   88.214
LGA    Y   116_B      Y   116_B     0.704     0    0.164   0.257     1.350   88.214   85.952
LGA    G   117_B      G   117_B     0.748     0    0.067   0.067     1.169   88.214   88.214
LGA    A   118_B      A   118_B     0.549     0    0.049   0.055     0.719   90.476   92.381
LGA    E   119_B      E   119_B     1.282     0    0.064   0.360     2.607   81.429   75.873
LGA    L   120_B      L   120_B     1.355     0    0.021   1.153     2.948   77.143   74.167
LGA    I   121_B      I   121_B     1.721     1    0.036   0.104     2.040   72.857   62.738
LGA    L   122_B      L   122_B     1.945     0    0.116   0.934     3.562   68.810   66.190
LGA    T   123_B      T   123_B     2.713     0    0.068   0.090     2.911   57.143   57.143
LGA    P   124_B      P   124_B     3.575     0    0.044   0.124     4.071   45.000   42.517
LGA    G   125_B      G   125_B     3.641     0    0.079   0.079     4.108   41.905   41.905
LGA    A   126_B      A   126_B     4.937     0    0.093   0.106     5.376   31.548   30.476
LGA    D   127_B      D   127_B     3.459     0    0.123   0.955     5.932   48.333   40.952
LGA    G   128_B      G   128_B     2.597     0    0.030   0.030     2.742   60.952   60.952
LGA    M   129_B      M   129_B     2.342     0    0.033   0.634     4.253   64.762   57.679
LGA    K   130_B      K   130_B     2.384     4    0.036   0.086     2.427   64.762   35.979
LGA    G   131_B      G   131_B     2.533     0    0.046   0.046     2.572   60.952   60.952
LGA    A   132_B      A   132_B     1.984     0    0.045   0.063     2.258   70.833   71.238
LGA    I   133_B      I   133_B     1.535     0    0.107   1.140     2.925   72.857   72.024
LGA    A   134_B      A   134_B     2.150     0    0.049   0.065     2.315   64.762   64.762
LGA    K   135_B      K   135_B     2.096     0    0.036   0.953     6.641   64.762   47.090
LGA    A   136_B      A   136_B     1.721     0    0.054   0.075     1.882   72.857   74.571
LGA    E   137_B      E   137_B     1.525     2    0.048   0.716     2.841   72.857   54.127
LGA    E   138_B      E   138_B     1.846     0    0.049   1.125     6.105   72.857   53.598
LGA    L   139_B      L   139_B     1.928     0    0.057   0.278     2.633   72.857   69.881
LGA    V   140_B      V   140_B     2.000     0    0.095   0.163     2.295   70.833   68.231
LGA    K   141_B      K   141_B     1.433     4    0.033   0.085     1.645   79.286   44.286
LGA    E   142_B      E   142_B     1.228     4    0.126   0.166     1.453   81.429   45.238
LGA    K   143_B      K   143_B     1.476     4    0.077   0.092     1.707   81.429   44.286
LGA    G   144_B      G   144_B     1.540     0    0.067   0.067     1.540   77.143   77.143
LGA    Y   145_B      Y   145_B     1.108     0    0.023   1.598    10.026   81.429   48.175
LGA    F   146_B      F   146_B     0.816     0    0.056   0.121     1.018   88.214   89.654
LGA    M   147_B      M   147_B     0.705     0    0.048   0.660     3.057   90.476   85.417
LGA    P   148_B      P   148_B     1.177     0    0.629   0.745     2.268   77.262   80.340
LGA    M   149_B      M   149_B     2.961     3    0.308   0.357     3.386   67.143   39.821
LGA    Q   150_B      Q   150_B     2.865     4    0.664   0.617     4.642   55.595   28.201
LGA    F   151_B      F   151_B     2.773     0    0.028   1.096    11.180   68.929   29.654
LGA    D   152_B      D   152_B     4.458     3    0.091   0.121     6.456   34.405   19.345
LGA    N   153_B      N   153_B     7.250     3    0.111   0.145     8.291   14.643    7.917
LGA    P   154_B      P   154_B     7.958     0    0.214   0.231    10.510    4.643    3.129
LGA    A   155_B      A   155_B    12.326     0    0.562   0.572    14.225    0.000    0.000
LGA    H   160_B      H   160_B    11.838     5    0.627   0.612    12.735    0.000    0.000
LGA    E   161_B      E   161_B     7.684     0    0.118   0.914     8.958    8.333   10.370
LGA    E   162_B      E   162_B     6.838     0    0.049   1.135     9.761   11.667    8.783
LGA    T   163_B      T   163_B     8.434     0    0.118   0.983    11.392    4.881    3.401
LGA    T   164_B      T   164_B     9.180     0    0.055   0.144    10.260    2.976    1.837
LGA    G   165_B      G   165_B     6.707     0    0.060   0.060     7.450   14.405   14.405
LGA    K   166_B      K   166_B     6.312     4    0.042   0.078     7.198   13.571    7.937
LGA    E   167_B      E   167_B     8.969     0    0.028   0.789     9.854    2.976    1.905
LGA    I   168_B      I   168_B     8.850     0    0.022   0.177     9.227    3.333    2.738
LGA    L   169_B      L   169_B     7.094     0    0.047   0.381     8.213    7.976   17.976
LGA    E   170_B      E   170_B     9.036     0    0.020   0.825    10.531    1.667    1.693
LGA    A   171_B      A   171_B    10.987     0    0.114   0.113    11.894    0.000    0.000
LGA    F   172_B      F   172_B     9.679     0    0.125   0.274     9.993    0.476    1.991
LGA    G   173_B      G   173_B    10.797     0    0.493   0.493    10.797    0.119    0.119
LGA    D   174_B      D   174_B    11.995     0    0.083   0.518    14.240    0.000    0.000
LGA    D   175_B      D   175_B     9.409     0    0.251   1.084    10.253    0.833    4.167
LGA    I   176_B      I   176_B     9.274     0    0.079   1.228    15.280    6.548    3.274
LGA    P   177_B      P   177_B     4.371     0    0.095   0.117     7.188   30.714   27.347
LGA    D   178_B      D   178_B     2.616     0    0.026   1.190     5.846   60.952   49.583
LGA    A   179_B      A   179_B     1.990     0    0.015   0.058     2.217   70.833   71.238
LGA    F   180_B      F   180_B     1.690     0    0.043   0.089     2.531   77.143   69.307
LGA    V   181_B      V   181_B     1.206     0    0.033   0.092     1.413   81.429   85.306
LGA    A   182_B      A   182_B     1.729     0    0.025   0.049     2.042   75.000   72.952
LGA    G   183_B      G   183_B     1.919     0    0.109   0.109     1.925   72.857   72.857
LGA    V   184_B      V   184_B     2.303     0    0.055   0.183     2.869   62.976   61.565
LGA    G   185_B      G   185_B     2.732     0    0.171   0.171     4.218   50.595   50.595
LGA    T   186_B      T   186_B     5.403     0    0.052   0.106     6.948   26.667   22.653
LGA    G   187_B      G   187_B     3.752     0    0.047   0.047     4.215   41.786   41.786
LGA    G   188_B      G   188_B     4.754     0    0.099   0.099     4.754   35.714   35.714
LGA    T   189_B      T   189_B     3.883     0    0.039   0.154     4.926   46.667   40.952
LGA    L   190_B      L   190_B     2.293     0    0.033   1.057     4.182   62.857   58.512
LGA    T   191_B      T   191_B     2.469     0    0.025   0.165     3.360   62.857   57.347
LGA    G   192_B      G   192_B     3.025     0    0.028   0.028     3.025   55.357   55.357
LGA    V   193_B      V   193_B     2.881     0    0.056   1.160     3.690   60.952   57.415
LGA    G   194_B      G   194_B     1.691     0    0.070   0.070     2.057   70.833   70.833
LGA    H   195_B      H   195_B     1.784     0    0.043   1.132     6.041   68.810   49.714
LGA    A   196_B      A   196_B     2.912     0    0.028   0.066     3.359   55.357   54.286
LGA    L   197_B      L   197_B     2.604     0    0.038   0.117     3.026   59.048   58.155
LGA    K   198_B      K   198_B     2.082     0    0.034   1.065     5.883   64.762   58.995
LGA    K   199_B      K   199_B     2.918     2    0.022   0.357     3.128   55.357   43.704
LGA    A   200_B      A   200_B     2.559     0    0.029   0.057     2.571   60.952   60.190
LGA    N   201_B      N   201_B     1.864     0    0.095   0.896     3.516   70.833   63.333
LGA    P   202_B      P   202_B     1.873     0    0.058   0.407     3.204   68.810   66.122
LGA    N   203_B      N   203_B     2.105     0    0.186   1.340     5.287   66.786   54.821
LGA    V   204_B      V   204_B     2.342     0    0.039   1.047     4.341   68.810   58.980
LGA    Q   205_B      Q   205_B     1.492     0    0.037   0.599     3.067   79.286   75.079
LGA    I   206_B      I   206_B     1.540     0    0.029   0.651     3.599   77.143   73.452
LGA    Y   207_B      Y   207_B     1.516     0    0.014   0.182     1.580   72.857   80.079
LGA    A   208_B      A   208_B     1.691     0    0.079   0.090     1.894   77.143   76.286
LGA    L   209_B      L   209_B     1.637     0    0.059   1.398     4.473   70.833   63.631
LGA    E   210_B      E   210_B     2.533     0    0.066   0.375     2.750   59.048   63.175
LGA    P   211_B      P   211_B     3.274     0    0.060   0.416     3.541   50.000   50.068
LGA    A   212_B      A   212_B     3.531     0    0.558   0.508     4.049   45.119   44.762
LGA    P   236_B      P   236_B    14.457     0    0.491   0.813    15.699    0.000    0.000
LGA    K   237_B      K   237_B    14.992     0    0.531   0.831    19.161    0.000    0.000
LGA    V   238_B      V   238_B    14.719     0    0.621   0.690    18.172    0.000    0.000
LGA    L   239_B      L   239_B     8.978     0    0.065   1.411    11.062    1.786    5.952
LGA    D   240_B      D   240_B     6.923     0    0.031   1.067     7.844   19.524   14.940
LGA    T   241_B      T   241_B     3.630     0    0.208   0.204     5.618   51.190   41.361
LGA    D   242_B      D   242_B     2.795     0    0.105   0.205     5.054   59.167   48.333
LGA    V   243_B      V   243_B     1.693     0    0.172   0.867     2.675   75.119   75.646
LGA    Y   244_B      Y   244_B     0.888     0    0.103   0.551     2.470   88.214   80.913
LGA    N   245_B      N   245_B     1.091     0    0.125   0.272     1.478   81.429   84.821
LGA    G   246_B      G   246_B     1.292     0    0.051   0.051     1.292   81.429   81.429
LGA    I   247_B      I   247_B     1.251     0    0.055   1.184     3.028   81.429   75.417
LGA    L   248_B      L   248_B     0.907     0    0.026   0.983     3.411   85.952   76.786
LGA    E   249_B      E   249_B     2.046     0    0.021   0.586     2.309   66.786   73.228
LGA    I   250_B      I   250_B     2.721     0    0.069   0.651     4.587   57.143   53.929
LGA    K   251_B      K   251_B     3.180     2    0.064   0.149     4.391   57.262   39.259
LGA    S   252_B      S   252_B     2.503     0    0.090   0.625     2.875   62.976   63.651
LGA    D   253_B      D   253_B     2.797     0    0.019   0.954     5.714   59.048   47.024
LGA    D   254_B      D   254_B     2.047     0    0.020   0.729     4.168   68.810   63.393
LGA    A   255_B      A   255_B     1.401     0    0.042   0.088     1.714   75.000   74.571
LGA    I   256_B      I   256_B     2.817     0    0.029   0.549     4.564   59.048   51.369
LGA    T   257_B      T   257_B     2.986     0    0.066   1.181     5.480   57.143   51.701
LGA    M   258_B      M   258_B     1.804     0    0.045   1.067     3.866   70.833   68.333
LGA    A   259_B      A   259_B     1.957     0    0.080   0.086     2.304   68.810   68.000
LGA    R   260_B      R   260_B     2.855     0    0.030   0.872     5.117   57.143   42.684
LGA    E   261_B      E   261_B     2.493     0    0.061   0.510     2.685   62.857   63.122
LGA    V   262_B      V   262_B     1.884     0    0.030   0.131     2.258   70.833   70.544
LGA    G   263_B      G   263_B     2.439     0    0.070   0.070     2.505   62.857   62.857
LGA    H   264_B      H   264_B     2.945     0    0.029   1.521     3.297   57.143   57.429
LGA    Q   265_B      Q   265_B     2.338     0    0.066   0.713     2.764   64.762   64.868
LGA    E   266_B      E   266_B     1.463     0    0.070   0.331     1.619   79.286   79.524
LGA    G   267_B      G   267_B     1.739     0    0.099   0.099     1.869   72.857   72.857
LGA    I   268_B      I   268_B     1.599     0    0.045   0.259     1.933   72.857   76.071
LGA    L   269_B      L   269_B     2.549     0    0.088   0.190     3.885   59.048   52.917
LGA    V   270_B      V   270_B     3.048     0    0.050   0.101     3.640   50.119   51.088
LGA    G   271_B      G   271_B     4.013     0    0.046   0.046     4.013   41.786   41.786
LGA    I   272_B      I   272_B     4.118     0    0.017   0.596     5.905   41.905   36.131
LGA    S   273_B      S   273_B     3.163     0    0.101   0.540     3.636   53.810   51.429
LGA    A   274_B      A   274_B     2.040     0    0.041   0.039     2.359   68.810   69.619
LGA    G   275_B      G   275_B     2.345     0    0.051   0.051     2.345   64.762   64.762
LGA    A   276_B      A   276_B     2.173     0    0.041   0.062     2.499   68.810   68.000
LGA    N   277_B      N   277_B     1.496     0    0.022   0.503     2.943   79.286   74.107
LGA    I   278_B      I   278_B     1.299     0    0.064   0.597     2.772   81.429   78.393
LGA    K   279_B      K   279_B     1.718     0    0.049   0.927     6.377   75.000   58.571
LGA    G   280_B      G   280_B     1.021     0    0.051   0.051     1.256   83.690   83.690
LGA    A   281_B      A   281_B     0.947     0    0.025   0.061     1.635   83.810   85.143
LGA    I   282_B      I   282_B     1.753     0    0.047   0.924     3.928   72.976   65.298
LGA    E   283_B      E   283_B     1.746     0    0.084   1.114     3.642   72.857   67.778
LGA    V   284_B      V   284_B     1.516     0    0.041   0.137     1.906   72.857   77.823
LGA    A   285_B      A   285_B     2.132     0    0.038   0.060     2.705   64.881   64.857
LGA    K   286_B      K   286_B     2.710     0    0.043   0.874     3.212   59.048   63.386
LGA    K   287_B      K   287_B     2.686     2    0.028   0.576     3.163   55.357   51.905
LGA    L   288_B      L   288_B     2.906     0    0.069   0.289     3.841   51.905   54.583
LGA    G   289_B      G   289_B     3.388     0    0.052   0.052     3.442   50.000   50.000
LGA    K   290_B      K   290_B     3.408     2    0.077   1.176     6.180   43.452   30.847
LGA    G   291_B      G   291_B     3.930     0    0.060   0.060     4.101   41.786   41.786
LGA    K   292_B      K   292_B     3.519     0    0.060   0.828     5.439   46.667   39.841
LGA    Q   293_B      Q   293_B     2.853     0    0.050   0.751     6.534   59.167   43.228
LGA    V   294_B      V   294_B     1.781     0    0.104   0.961     3.231   70.833   68.503
LGA    I   295_B      I   295_B     1.714     0    0.025   0.216     2.691   77.143   71.012
LGA    T   296_B      T   296_B     0.958     0    0.182   1.173     2.741   83.690   78.435
LGA    V   297_B      V   297_B     2.141     0    0.032   0.174     2.563   66.786   64.830
LGA    A   298_B      A   298_B     2.474     0    0.084   0.095     3.223   59.167   60.286
LGA    P   299_B      P   299_B     3.072     0    0.053   0.287     4.277   46.905   50.272
LGA    D   300_B      D   300_B     4.705     0    0.119   0.132     6.799   38.810   30.357
LGA    G   301_B      G   301_B     4.162     0    0.036   0.036     4.845   35.714   35.714
LGA    G   302_B      G   302_B     4.471     0    0.105   0.105     4.765   34.286   34.286
LGA    D   303_B      D   303_B     4.444     0    0.102   0.811     4.981   32.857   38.512
LGA    R   304_B      R   304_B     4.961     6    0.026   0.071     5.144   28.810   13.333
LGA    Y   305_B      Y   305_B     5.236     0    0.141   0.266     5.554   25.000   27.103
LGA    L   306_B      L   306_B     4.912     0    0.046   0.225     5.393   27.500   30.179
LGA    S   307_B      S   307_B     6.228     0    0.044   0.057     6.681   17.262   16.587
LGA    T   308_B      T   308_B     6.455     0    0.031   0.215     6.455   17.143   17.755
LGA    E   309_B      E   309_B     6.634     3    0.157   0.690     8.099   15.238    8.413
LGA    L   310_B      L   310_B     5.264     0    0.039   0.938     5.811   25.000   30.417
LGA    F   311_B      F   311_B     5.635     0    0.569   0.710     5.719   23.929   26.840
LGA    N   312_B      N   312_B     7.728     0    0.336   0.806    11.764    9.286    4.702
LGA    Y   313_B      Y   313_B     7.509     0    0.177   1.542     9.150    5.833   12.421

# 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):     4.084          4.048                  4.482           58.010   53.588

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  313  281    4.0    229    2.27    63.612    59.010     9.682

LGA_LOCAL      RMSD:   2.265  Number of atoms:  229  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   4.178  Number of assigned atoms:  281 
Std_ASGN_ATOMS RMSD:   4.084  Standard rmsd on all 281 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.397002 * X  +   0.532380 * Y  +   0.747637 * Z  +  15.957077
  Y_new =   0.910494 * X  +   0.125745 * Y  +   0.393940 * Z  + -22.779537
  Z_new =   0.115714 * X  +   0.837114 * Y  +  -0.534650 * Z  +  23.861183 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.981972 -0.115974  2.139174   [DEG:  113.5586   -6.6448  122.5657 ]
ZXZ:  2.055742  2.134890  0.137359   [DEG:  117.7853  122.3202    7.8701 ]
 
# END of job
