
#######################################################
#                                                     #
#                        LGA                          #
#                  ---------------                    #
#                                                     #
#               Local-Global Alignment                #
#        A Method for Finding 3-D Similarities        #
#               in Protein Structures                 #
#                                                     #
#                  ------------ 10/2009               #
#                                                     #
#      Adam Zemla (adamz@llnl.gov)                    #
#      Lawrence Livermore National Laboratory, CA     #
#                                                     #
#######################################################

!!!   License for LGA program has expired  !!!
#   For updated version of the LGA program   #
# please contact Adam Zemla:  adamz@llnl.gov #

# Molecule1: number of CA atoms  313 ( 2327),  selected  281 , name one
# Molecule2: number of CA atoms  281 ( 1997),  selected  281 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   281       6_B - 313_B       3.98     3.98
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   120      33_B - 152_B       1.97     4.43
  LONGEST_CONTINUOUS_SEGMENT:   120      34_B - 153_B       1.99     4.51
  LCS_AVERAGE:     33.41

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    87      56_B - 142_B       0.99     5.62
  LCS_AVERAGE:     20.53

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      5    7  281      3    3    5    5    5    7    7    7    8   19  119  147  191  248  257  262  267  273  275  276 
LCS_GDT     H     7_B     H     7_B      5   16  281      3    4    5   91  125  151  184  227  241  247  250  253  257  261  265  271  272  274  275  276 
LCS_GDT     T     8_B     T     8_B     12   16  281      3   16   31   65   80  125  152  165  197  216  248  253  255  259  264  269  272  274  275  276 
LCS_GDT     K     9_B     K     9_B     12   16  281      4   61   78  108  127  150  184  227  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     I    10_B     I    10_B     12   16  281     28   61   78  109  129  159  201  227  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     T    11_B     T    11_B     12   16  281     11   58   88  118  145  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     N    12_B     N    12_B     12   18  281      4   48   88  118  145  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     S    13_B     S    13_B     12   31  281      5   62   88  118  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     I    14_B     I    14_B     12   33  281     21   62   88  118  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     V    15_B     V    15_B     12   33  281     21   58   88  118  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     N    16_B     N    16_B     12   33  281     39   68   88  118  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     L    17_B     L    17_B     12   33  281      7   55   88  118  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     I    18_B     I    18_B     16   33  281     11   65  104  121  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     G    19_B     G    19_B     16   33  281      7   59  109  123  130  162  204  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     N    20_B     N    20_B     26   33  281     21   94  112  123  130  149  201  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     T    21_B     T    21_B     26   33  281     58   94  112  123  130  176  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     P    22_B     P    22_B     26   33  281     64   94  112  123  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     I    23_B     I    23_B     26   33  281     54   94  112  123  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     V    24_B     V    24_B     26   33  281     64   94  112  123  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     K    25_B     K    25_B     26   33  281     64   94  112  123  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     L    26_B     L    26_B     26   33  281     64   94  112  123  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     N    27_B     N    27_B     26   33  281     64   94  112  123  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     R    28_B     R    28_B     26   33  281     64   94  112  123  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     V    29_B     V    29_B     26   33  281     64   94  112  123  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     V    30_B     V    30_B     26   33  281     64   94  112  123  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     P    31_B     P    31_B     26   33  281     58   94  112  123  136  174  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     E    32_B     E    32_B     26   33  281     44   93  112  123  130  146  196  228  239  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     D    33_B     D    33_B     26  120  281     21   94  112  123  130  171  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     A    34_B     A    34_B     26  120  281      3   10   34   94  145  177  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     A    35_B     A    35_B     26  120  281     10   72  107  123  143  180  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     D    36_B     D    36_B     26  120  281     30   94  112  123  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     V    37_B     V    37_B     26  120  281     30   94  112  123  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     Y    38_B     Y    38_B     26  120  281     64   94  112  123  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     V    39_B     V    39_B     26  120  281     64   94  112  123  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     K    40_B     K    40_B     26  120  281     64   94  112  123  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     L    41_B     L    41_B     26  120  281     64   94  112  123  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     E    42_B     E    42_B     26  120  281     64   94  112  123  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     F    43_B     F    43_B     26  120  281     32   94  112  123  145  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     F    44_B     F    44_B     26  120  281     14   78  112  123  130  166  201  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     N    45_B     N    45_B     26  120  281     32   86  112  123  130  151  201  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     P    46_B     P    46_B     11  120  281      4    9   70  122  130  137  152  195  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     G    47_B     G    47_B     23  120  281      4   51   81  105  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     G    48_B     G    48_B     23  120  281      4    6   28   47   88  159  199  227  239  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     S    49_B     S    49_B     30  120  281      4   18   59   89  113  177  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     I    50_B     I    50_B     30  120  281      4   19   44   89  105  177  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     K    51_B     K    51_B     30  120  281      6   19   71   94  114  177  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     D    52_B     D    52_B     30  120  281     30   68   88  110  145  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     R    53_B     R    53_B     30  120  281     12   52   88  118  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     I    54_B     I    54_B     30  120  281      6   22   67  100  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     A    55_B     A    55_B     30  120  281      9   61   84  106  145  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     L    56_B     L    56_B     87  120  281     30   68   88  118  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     A    57_B     A    57_B     87  120  281     13   67   88  118  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     M    58_B     M    58_B     87  120  281     11   60   88  118  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     I    59_B     I    59_B     87  120  281     30   68   88  118  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     E    60_B     E    60_B     87  120  281     29   68   88  118  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     E    61_B     E    61_B     87  120  281     16   68   88  118  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     A    62_B     A    62_B     87  120  281     30   68   88  118  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     E    63_B     E    63_B     87  120  281     30   68   88  118  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     K    64_B     K    64_B     87  120  281     29   68   88  118  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     A    65_B     A    65_B     87  120  281     30   68   88  118  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     G    66_B     G    66_B     87  120  281     30   68   88  118  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     K    67_B     K    67_B     87  120  281     30   68   88  118  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     L    68_B     L    68_B     87  120  281     30   68   88  118  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     Q    69_B     Q    69_B     87  120  281     46   68   88  118  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     A    70_B     A    70_B     87  120  281     34   68   88  118  145  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     G    71_B     G    71_B     87  120  281     23   50   76  106  129  159  201  231  241  247  250  253  257  262  268  271  272  274  275  276 
LCS_GDT     G    72_B     G    72_B     87  120  281     39   67   88  118  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     T    73_B     T    73_B     87  120  281     43   68   88  118  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     I    74_B     I    74_B     87  120  281     46   68   88  118  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     V    75_B     V    75_B     87  120  281     46   68   88  118  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     E    76_B     E    76_B     87  120  281     43   68   88  118  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     P    77_B     P    77_B     87  120  281     46   68   88  118  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     T    78_B     T    78_B     87  120  281     39   68   88  118  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     S    79_B     S    79_B     87  120  281      3   46   86  118  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     G    80_B     G    80_B     87  120  281     17   41   87  118  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     N    81_B     N    81_B     87  120  281      6   54   99  120  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     T    82_B     T    82_B     87  120  281     17   38   98  117  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     G    83_B     G    83_B     87  120  281     17   66   88  118  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     V    84_B     V    84_B     87  120  281     17   66   88  118  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     G    85_B     G    85_B     87  120  281     17   65   87  118  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     L    86_B     L    86_B     87  120  281     23   66   88  118  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     A    87_B     A    87_B     87  120  281     43   68   88  118  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     M    88_B     M    88_B     87  120  281     43   68   88  118  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     V    89_B     V    89_B     87  120  281     19   67   88  117  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     A    90_B     A    90_B     87  120  281     19   67   88  118  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     A    91_B     A    91_B     87  120  281     46   68   88  118  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     A    92_B     A    92_B     87  120  281     19   66   88  111  142  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     K    93_B     K    93_B     87  120  281     17   67   88  111  142  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     G    94_B     G    94_B     87  120  281     42   68   88  118  145  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     Y    95_B     Y    95_B     87  120  281     46   68   88  118  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     H    96_B     H    96_B     87  120  281     46   68   88  118  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     L    97_B     L    97_B     87  120  281     46   68   88  118  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     V    98_B     V    98_B     87  120  281     46   68   88  118  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     I    99_B     I    99_B     87  120  281     46   68   88  118  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     T   100_B     T   100_B     87  120  281     46   68   88  118  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     M   101_B     M   101_B     87  120  281     46   68   88  118  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     P   102_B     P   102_B     87  120  281     46   68   88  118  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     E   103_B     E   103_B     87  120  281     46   68   88  118  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     T   104_B     T   104_B     87  120  281     30   68   88  118  147  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     M   105_B     M   105_B     87  120  281      8   66   88  118  145  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     S   106_B     S   106_B     87  120  281      3    3   37   99  145  177  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     V   107_B     V   107_B     87  120  281      3   19   70  106  145  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     E   108_B     E   108_B     87  120  281     28   61   87  118  145  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     R   109_B     R   109_B     87  120  281     10   63   88  118  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     R   110_B     R   110_B     87  120  281     38   68   88  118  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     K   111_B     K   111_B     87  120  281     46   68   88  118  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     L   112_B     L   112_B     87  120  281     46   68   88  118  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     M   113_B     M   113_B     87  120  281     46   68   88  118  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     Q   114_B     Q   114_B     87  120  281     46   68   88  118  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     G   115_B     G   115_B     87  120  281     46   68   88  118  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     Y   116_B     Y   116_B     87  120  281     46   68   88  118  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     G   117_B     G   117_B     87  120  281     46   68   88  118  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     A   118_B     A   118_B     87  120  281     46   68   88  118  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     E   119_B     E   119_B     87  120  281     46   68   88  118  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     L   120_B     L   120_B     87  120  281     46   68   88  118  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     I   121_B     I   121_B     87  120  281     46   68   88  118  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     L   122_B     L   122_B     87  120  281     46   68   88  118  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     T   123_B     T   123_B     87  120  281     46   68   88  118  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     P   124_B     P   124_B     87  120  281     46   68   88  118  145  179  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     G   125_B     G   125_B     87  120  281     46   68   88  118  145  179  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     A   126_B     A   126_B     87  120  281     33   61   88  108  133  160  189  218  237  246  249  251  256  261  268  271  272  274  275  276 
LCS_GDT     D   127_B     D   127_B     87  120  281     46   68   88  118  144  178  207  231  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     G   128_B     G   128_B     87  120  281     46   68   88  118  145  179  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     M   129_B     M   129_B     87  120  281     46   68   88  118  145  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     K   130_B     K   130_B     87  120  281     46   68   88  118  145  179  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     G   131_B     G   131_B     87  120  281     46   68   88  118  145  179  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     A   132_B     A   132_B     87  120  281     46   68   88  118  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     I   133_B     I   133_B     87  120  281     46   68   88  118  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     A   134_B     A   134_B     87  120  281     46   68   88  118  145  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     K   135_B     K   135_B     87  120  281     46   68   88  118  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     A   136_B     A   136_B     87  120  281     46   68   88  118  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     E   137_B     E   137_B     87  120  281     46   68   88  118  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     E   138_B     E   138_B     87  120  281     46   68   88  118  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     L   139_B     L   139_B     87  120  281     43   68   88  118  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     V   140_B     V   140_B     87  120  281     41   68   88  118  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     K   141_B     K   141_B     87  120  281     46   68   88  118  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     E   142_B     E   142_B     87  120  281     37   68   88  118  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     K   143_B     K   143_B     86  120  281      3   40   85  118  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     G   144_B     G   144_B     83  120  281      3   20   72  110  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     Y   145_B     Y   145_B     83  120  281     46   68   88  118  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     F   146_B     F   146_B     83  120  281     46   68   88  118  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     M   147_B     M   147_B     83  120  281     46   68   88  118  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     P   148_B     P   148_B     83  120  281     46   68   88  118  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     M   149_B     M   149_B     78  120  281      3    8   58   99  145  179  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     Q   150_B     Q   150_B     69  120  281      6   59   82  106  145  181  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     F   151_B     F   151_B      6  120  281      3    6   26   80  141  179  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     D   152_B     D   152_B      6  120  281      5   27   43   65   84  152  203  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     N   153_B     N   153_B      6  120  281      4    6   31   53   78   97  134  149  193  218  241  252  258  262  268  271  272  274  275  276 
LCS_GDT     P   154_B     P   154_B      6  118  281      4   11   29   47   60   90  110  136  156  212  234  248  258  262  268  271  272  274  275  276 
LCS_GDT     A   155_B     A   155_B      6  109  281      4    6    6    7    9   13   16   62   77   89  107  137  160  190  220  249  260  269  273  276 
LCS_GDT     H   160_B     H   160_B      4   19  281      3    4    5    7   15   20   24   28   34   44   53   98  112  165  241  259  265  269  273  275 
LCS_GDT     E   161_B     E   161_B      4   19  281      3    4   10   16   22   48   97  128  172  209  234  248  254  262  268  271  272  274  275  276 
LCS_GDT     E   162_B     E   162_B     14   19  281      3    8   16   41   70   97  111  134  190  230  243  251  258  262  268  271  272  274  275  276 
LCS_GDT     T   163_B     T   163_B     14   19  281      8   11   14   16   32   53   79  111  161  194  217  242  252  260  268  271  272  274  275  276 
LCS_GDT     T   164_B     T   164_B     14   19  281      8   12   14   16   21   27   41   66  107  169  206  228  249  258  267  271  272  274  275  276 
LCS_GDT     G   165_B     G   165_B     14   19  281      8   12   14   20   37   59  105  162  203  222  242  251  258  262  268  271  272  274  275  276 
LCS_GDT     K   166_B     K   166_B     14   47  281      8   12   14   39   53   92  134  175  211  235  245  252  258  262  268  271  272  274  275  276 
LCS_GDT     E   167_B     E   167_B     14   47  281      8   12   18   42   54   72   97  138  149  163  201  233  251  260  268  271  272  274  275  276 
LCS_GDT     I   168_B     I   168_B     14   47  281      8   12   14   26   45   67   94  133  147  157  187  230  250  260  268  271  272  274  275  276 
LCS_GDT     L   169_B     L   169_B     14   47  281      8   16   35   88  120  137  139  145  162  206  232  251  258  262  268  271  272  274  275  276 
LCS_GDT     E   170_B     E   170_B     14   47  281      8   15   34   69  106  132  139  142  149  157  175  217  243  259  268  271  272  274  275  276 
LCS_GDT     A   171_B     A   171_B     14   47  281      7   12   16   37   64   94  119  137  146  150  158  170  192  212  247  261  271  274  275  276 
LCS_GDT     F   172_B     F   172_B     14   47  281      7   12   22   45   76  107  128  142  147  154  169  201  239  255  267  271  272  274  275  276 
LCS_GDT     G   173_B     G   173_B     14   47  281      7   12   14   29   56   89  119  140  146  150  157  168  189  241  249  266  271  274  275  276 
LCS_GDT     D   174_B     D   174_B     14   47  281      7   12   24   62   95  118  137  142  147  157  172  217  249  259  268  271  272  274  275  276 
LCS_GDT     D   175_B     D   175_B     14   47  281      7   12   17   46   75  118  137  142  147  157  182  229  247  259  268  271  272  274  275  276 
LCS_GDT     I   176_B     I   176_B     37   47  281      3    9   36   89  124  137  139  175  224  244  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     P   177_B     P   177_B     37   47  281     12   82  109  123  130  168  205  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     D   178_B     D   178_B     37   47  281     64   94  112  123  145  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     A   179_B     A   179_B     37   47  281     64   94  112  123  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     F   180_B     F   180_B     37   47  281     64   94  112  123  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     V   181_B     V   181_B     37   47  281     64   94  112  123  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     A   182_B     A   182_B     37   47  281     64   94  112  123  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     G   183_B     G   183_B     37   47  281     20   85  112  123  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     V   184_B     V   184_B     37   47  281     12   68  112  123  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     G   185_B     G   185_B     37   47  281     14   58  104  122  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     T   186_B     T   186_B     37   47  281      7   25   63  106  128  137  164  222  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     G   187_B     G   187_B     37   47  281      9   45  104  123  134  181  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     G   188_B     G   188_B     37   47  281      7   36   75  100  128  151  200  230  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     T   189_B     T   189_B     37   47  281      7   29   63  100  129  176  206  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     L   190_B     L   190_B     37   47  281     14   82  112  123  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     T   191_B     T   191_B     37   47  281     34   68  109  123  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     G   192_B     G   192_B     37   47  281     14   63  106  123  145  181  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     V   193_B     V   193_B     37   97  281     15   91  112  123  145  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     G   194_B     G   194_B     37   97  281     26   94  112  123  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     H   195_B     H   195_B     37   97  281     13   81  111  123  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     A   196_B     A   196_B     37   97  281     37   94  112  123  145  181  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     L   197_B     L   197_B     37   97  281     37   94  112  123  145  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     K   198_B     K   198_B     37   97  281     24   94  112  123  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     K   199_B     K   199_B     37   97  281      9   86  111  123  145  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     A   200_B     A   200_B     37   97  281     25   75  109  123  143  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     N   201_B     N   201_B     37   97  281     29   88  112  123  145  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     P   202_B     P   202_B     37   97  281     29   94  112  123  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     N   203_B     N   203_B     37   97  281     37   94  112  123  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     V   204_B     V   204_B     37   97  281     54   94  112  123  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     Q   205_B     Q   205_B     37   97  281     54   94  112  123  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     I   206_B     I   206_B     37   97  281     64   94  112  123  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     Y   207_B     Y   207_B     37   97  281     64   94  112  123  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     A   208_B     A   208_B     37   97  281     64   94  112  123  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     L   209_B     L   209_B     37   97  281     64   94  112  123  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     E   210_B     E   210_B     37   97  281     64   94  112  123  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     P   211_B     P   211_B     37   97  281     29   86  112  123  141  178  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     A   212_B     A   212_B     37   97  281     32   83  112  123  141  173  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     P   236_B     P   236_B      3   97  281      0    3    3    8   11   27   47   56   90  135  147  151  158  168  182  192  213  246  267  273 
LCS_GDT     K   237_B     K   237_B      3   97  281      0    3    3    4    7    8   41   58   71  143  146  155  159  168  182  201  226  249  267  273 
LCS_GDT     V   238_B     V   238_B      5   97  281      3    6    8   11   20   24   41   58   69   86  114  153  158  166  178  197  213  246  256  273 
LCS_GDT     L   239_B     L   239_B      6   97  281      4    6   17   64   95  124  139  142  154  168  203  213  243  262  268  271  272  274  275  276 
LCS_GDT     D   240_B     D   240_B     69   97  281      4   18   70  107  126  137  139  169  197  223  245  252  258  262  268  271  272  274  275  276 
LCS_GDT     T   241_B     T   241_B     72   97  281     16   56  104  123  134  173  207  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     D   242_B     D   242_B     72   97  281     40   94  112  123  145  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     V   243_B     V   243_B     72   97  281     27   94  112  123  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     Y   244_B     Y   244_B     72   97  281     40   94  112  123  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     N   245_B     N   245_B     72   97  281     27   94  112  123  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     G   246_B     G   246_B     72   97  281     64   94  112  123  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     I   247_B     I   247_B     72   97  281     64   94  112  123  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     L   248_B     L   248_B     72   97  281     64   94  112  123  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     E   249_B     E   249_B     72   97  281     64   94  112  123  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     I   250_B     I   250_B     72   97  281     64   94  112  123  141  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     K   251_B     K   251_B     72   97  281     64   94  112  123  136  171  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     S   252_B     S   252_B     72   97  281     64   94  112  123  130  171  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     D   253_B     D   253_B     72   97  281     64   94  112  123  130  171  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     D   254_B     D   254_B     72   97  281     64   94  112  123  136  173  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     A   255_B     A   255_B     72   97  281     64   94  112  123  141  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     I   256_B     I   256_B     72   97  281     64   94  112  123  130  171  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     T   257_B     T   257_B     72   97  281     64   94  112  123  130  171  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     M   258_B     M   258_B     72   97  281     64   94  112  123  141  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     A   259_B     A   259_B     72   97  281     64   94  112  123  141  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     R   260_B     R   260_B     72   97  281     64   94  112  123  136  172  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     E   261_B     E   261_B     72   97  281     64   94  112  123  141  178  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     V   262_B     V   262_B     72   97  281     64   94  112  123  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     G   263_B     G   263_B     72   97  281     64   94  112  123  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     H   264_B     H   264_B     72   97  281     64   94  112  123  141  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     Q   265_B     Q   265_B     72   97  281     64   94  112  123  145  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     E   266_B     E   266_B     72   97  281     64   94  112  123  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     G   267_B     G   267_B     72   97  281     64   94  112  123  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     I   268_B     I   268_B     72   97  281     64   94  112  123  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     L   269_B     L   269_B     72   97  281     64   94  112  123  145  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     V   270_B     V   270_B     72   97  281     11   93  112  123  139  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     G   271_B     G   271_B     72   97  281     24   94  112  123  130  173  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     I   272_B     I   272_B     72   97  281     64   94  112  123  130  173  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     S   273_B     S   273_B     72   97  281     64   94  112  123  141  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     A   274_B     A   274_B     72   97  281     64   94  112  123  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     G   275_B     G   275_B     72   97  281     64   94  112  123  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     A   276_B     A   276_B     72   97  281     64   94  112  123  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     N   277_B     N   277_B     72   97  281     64   94  112  123  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     I   278_B     I   278_B     72   97  281     64   94  112  123  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     K   279_B     K   279_B     72   97  281     64   94  112  123  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     G   280_B     G   280_B     72   97  281     64   94  112  123  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     A   281_B     A   281_B     72   97  281     64   94  112  123  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     I   282_B     I   282_B     72   97  281     58   94  112  123  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     E   283_B     E   283_B     72   97  281     58   94  112  123  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     V   284_B     V   284_B     72   97  281     58   94  112  123  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     A   285_B     A   285_B     72   97  281     58   94  112  123  143  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     K   286_B     K   286_B     72   97  281     58   94  112  123  137  178  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     K   287_B     K   287_B     72   97  281     58   89  112  123  137  178  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     L   288_B     L   288_B     72   97  281     36   91  112  123  130  178  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     G   289_B     G   289_B     72   97  281      7   36   66  100  127  168  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     K   290_B     K   290_B     72   97  281     14   65  109  123  130  168  208  232  240  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     G   291_B     G   291_B     72   97  281     44   94  112  123  130  169  208  232  240  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     K   292_B     K   292_B     72   97  281     48   94  112  123  132  178  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     Q   293_B     Q   293_B     72   97  281     64   94  112  123  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     V   294_B     V   294_B     72   97  281     64   94  112  123  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     I   295_B     I   295_B     72   97  281     64   94  112  123  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     T   296_B     T   296_B     72   97  281     64   94  112  123  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     V   297_B     V   297_B     72   97  281     64   94  112  123  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     A   298_B     A   298_B     72   97  281     64   94  112  123  149  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     P   299_B     P   299_B     72   97  281     64   94  112  123  145  182  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     D   300_B     D   300_B     72   97  281     14   83  112  123  130  154  201  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     G   301_B     G   301_B     72   97  281     14   91  112  123  130  167  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     G   302_B     G   302_B     72   97  281     58   93  112  123  130  160  201  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     D   303_B     D   303_B     72   97  281     48   94  112  123  130  167  209  232  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     R   304_B     R   304_B     72   97  281     13   86  112  123  130  138  200  227  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     Y   305_B     Y   305_B     72   97  281     19   93  112  123  130  138  165  221  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     L   306_B     L   306_B     72   97  281     50   94  112  123  130  138  188  226  241  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     S   307_B     S   307_B     72   97  281     12   48  108  122  130  137  143  157  208  242  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     T   308_B     T   308_B     72   97  281      9   33  101  119  130  137  141  153  169  214  245  253  258  262  268  271  272  274  275  276 
LCS_GDT     E   309_B     E   309_B     72   97  281      8   34   94  117  130  137  139  150  165  206  232  252  258  262  268  271  272  274  275  276 
LCS_GDT     L   310_B     L   310_B     72   97  281      9   47  101  119  130  137  148  179  205  238  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     F   311_B     F   311_B     72   97  281      7   32   99  123  130  140  162  219  239  247  250  253  258  262  268  271  272  274  275  276 
LCS_GDT     N   312_B     N   312_B     72   97  281      9   49  101  119  130  137  143  167  205  217  245  253  258  262  268  271  272  274  275  276 
LCS_GDT     Y   313_B     Y   313_B     14   77  281      3    3    4   28   47   85  125  150  165  180  212  238  250  262  268  271  272  274  275  276 
LCS_AVERAGE  LCS_A:  51.31  (  20.53   33.41  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     64     94    112    123    149    182    209    232    241    247    250    253    258    262    268    271    272    274    275    276 
GDT PERCENT_AT  22.78  33.45  39.86  43.77  53.02  64.77  74.38  82.56  85.77  87.90  88.97  90.04  91.81  93.24  95.37  96.44  96.80  97.51  97.86  98.22
GDT RMS_LOCAL    0.29   0.57   0.74   0.90   1.71   1.97   2.19   2.42   2.56   2.63   2.70   2.80   2.99   3.10   3.31   3.41   3.44   3.55   3.57   3.61
GDT RMS_ALL_AT   6.32   6.15   6.24   6.13   4.09   4.08   4.07   4.04   4.06   4.05   4.04   4.04   4.00   4.00   3.98   3.98   3.98   3.98   3.98   3.98

# Checking swapping
#   possible swapping detected:  Y    38_B      Y    38_B
#   possible swapping detected:  E    42_B      E    42_B
#   possible swapping detected:  F    44_B      F    44_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   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:  D   253_B      D   253_B
#   possible swapping detected:  D   300_B      D   300_B
#   possible swapping detected:  Y   305_B      Y   305_B
#   possible swapping detected:  F   311_B      F   311_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    H     6_B      H     6_B     8.500     0    0.632   0.775    15.097   10.000    4.286
LGA    H     7_B      H     7_B     5.557     0    0.073   1.470     7.541   19.286   15.524
LGA    T     8_B      T     8_B     7.615     0    0.550   0.609    11.280   15.952    9.184
LGA    K     9_B      K     9_B     5.400     4    0.310   0.568     7.193   18.690   10.688
LGA    I    10_B      I    10_B     5.161     0    0.492   0.826     9.643   28.929   21.548
LGA    T    11_B      T    11_B     3.220     0    0.090   1.148     3.850   48.333   51.088
LGA    N    12_B      N    12_B     3.175     0    0.047   0.538     5.725   53.571   44.940
LGA    S    13_B      S    13_B     2.344     0    0.113   0.187     2.728   66.905   64.921
LGA    I    14_B      I    14_B     1.191     0    0.036   0.796     2.815   83.810   82.976
LGA    V    15_B      V    15_B     0.619     0    0.066   0.320     1.428   85.952   85.306
LGA    N    16_B      N    16_B     2.001     0    0.033   0.169     2.647   64.881   63.869
LGA    L    17_B      L    17_B     2.225     0    0.084   0.178     2.672   64.881   64.881
LGA    I    18_B      I    18_B     2.233     0    0.041   0.077     2.962   62.976   67.976
LGA    G    19_B      G    19_B     3.887     0    0.685   0.685     4.605   42.024   42.024
LGA    N    20_B      N    20_B     3.905     0    0.107   0.175     4.747   45.238   42.024
LGA    T    21_B      T    21_B     3.351     0    0.024   0.116     4.004   48.333   45.306
LGA    P    22_B      P    22_B     2.210     0    0.027   0.088     2.539   64.881   67.143
LGA    I    23_B      I    23_B     1.805     0    0.089   0.410     3.457   70.833   64.048
LGA    V    24_B      V    24_B     1.265     0    0.076   1.009     3.067   81.429   78.231
LGA    K    25_B      K    25_B     1.362     0    0.030   0.193     1.939   81.429   76.667
LGA    L    26_B      L    26_B     1.149     0    0.036   0.136     1.386   81.429   84.821
LGA    N    27_B      N    27_B     2.011     0    0.104   1.119     3.350   64.881   62.024
LGA    R    28_B      R    28_B     2.286     0    0.101   0.253     2.918   62.857   61.299
LGA    V    29_B      V    29_B     2.116     0    0.045   0.118     2.266   64.762   67.075
LGA    V    30_B      V    30_B     2.253     0    0.084   1.386     3.475   60.952   59.524
LGA    P    31_B      P    31_B     3.551     0    0.084   0.230     3.793   46.786   51.497
LGA    E    32_B      E    32_B     4.782     4    0.088   0.127     5.467   31.548   16.931
LGA    D    33_B      D    33_B     3.954     0    0.694   0.999     5.461   37.500   38.869
LGA    A    34_B      A    34_B     3.506     0    0.589   0.607     5.588   57.500   50.286
LGA    A    35_B      A    35_B     2.983     0    0.074   0.099     3.665   57.262   54.476
LGA    D    36_B      D    36_B     1.787     0    0.063   0.135     2.324   70.833   70.833
LGA    V    37_B      V    37_B     1.167     0    0.053   0.446     1.573   83.690   84.082
LGA    Y    38_B      Y    38_B     1.278     0    0.043   0.209     2.730   81.429   70.437
LGA    V    39_B      V    39_B     1.113     0    0.038   0.902     2.460   81.429   79.116
LGA    K    40_B      K    40_B     1.852     0    0.022   0.217     4.192   75.000   60.635
LGA    L    41_B      L    41_B     1.981     0    0.076   0.108     2.874   66.905   71.012
LGA    E    42_B      E    42_B     2.452     0    0.125   0.984     5.645   60.952   51.481
LGA    F    43_B      F    43_B     3.158     0    0.040   0.381     4.332   48.452   49.784
LGA    F    44_B      F    44_B     4.085     0    0.218   0.739     5.864   33.333   40.952
LGA    N    45_B      N    45_B     4.132     0    0.117   1.342     5.296   41.905   38.929
LGA    P    46_B      P    46_B     5.498     0    0.016   0.218     7.392   29.048   21.905
LGA    G    47_B      G    47_B     2.538     0    0.134   0.134     5.597   48.690   48.690
LGA    G    48_B      G    48_B     4.203     0    0.069   0.069     5.732   36.429   36.429
LGA    S    49_B      S    49_B     3.454     0    0.041   0.096     3.477   50.000   50.000
LGA    I    50_B      I    50_B     3.508     0    0.148   0.776     4.892   48.452   43.631
LGA    K    51_B      K    51_B     3.482     2    0.173   0.826     3.945   48.333   39.048
LGA    D    52_B      D    52_B     2.606     0    0.047   0.305     4.356   65.000   54.345
LGA    R    53_B      R    53_B     0.869     0    0.064   0.931     7.230   83.690   52.944
LGA    I    54_B      I    54_B     2.539     0    0.042   1.648     5.579   59.048   47.143
LGA    A    55_B      A    55_B     2.779     0    0.047   0.080     3.207   60.952   58.762
LGA    L    56_B      L    56_B     1.475     0    0.032   0.105     1.854   79.286   83.750
LGA    A    57_B      A    57_B     1.533     0    0.074   0.080     1.658   77.143   76.286
LGA    M    58_B      M    58_B     2.015     0    0.033   0.204     2.722   70.833   64.940
LGA    I    59_B      I    59_B     1.511     0    0.010   0.156     2.261   77.143   75.060
LGA    E    60_B      E    60_B     1.356     0    0.020   0.317     1.464   81.429   86.508
LGA    E    61_B      E    61_B     1.381     0    0.032   0.955     3.127   81.429   71.481
LGA    A    62_B      A    62_B     1.146     0    0.035   0.039     1.255   81.429   81.429
LGA    E    63_B      E    63_B     1.271     0    0.056   0.225     1.942   81.429   77.619
LGA    K    64_B      K    64_B     1.364     4    0.089   0.090     1.364   81.429   45.238
LGA    A    65_B      A    65_B     1.021     0    0.080   0.093     1.294   88.333   86.952
LGA    G    66_B      G    66_B     0.880     0    0.173   0.173     1.134   85.952   85.952
LGA    K    67_B      K    67_B     0.899     4    0.032   0.069     1.330   90.476   49.259
LGA    L    68_B      L    68_B     0.880     0    0.027   1.336     2.830   83.810   78.631
LGA    Q    69_B      Q    69_B     2.034     4    0.025   0.041     2.271   66.786   36.878
LGA    A    70_B      A    70_B     2.975     0    0.689   0.650     3.434   53.571   52.857
LGA    G    71_B      G    71_B     4.083     0    0.090   0.090     4.413   40.238   40.238
LGA    G    72_B      G    72_B     2.698     0    0.073   0.073     3.052   59.167   59.167
LGA    T    73_B      T    73_B     1.839     0    0.036   0.124     2.419   70.833   70.544
LGA    I    74_B      I    74_B     0.990     0    0.054   0.564     2.193   85.952   82.738
LGA    V    75_B      V    75_B     1.131     0    0.016   0.076     1.525   81.429   80.204
LGA    E    76_B      E    76_B     0.989     0    0.081   0.184     1.142   83.690   87.460
LGA    P    77_B      P    77_B     1.589     0    0.130   0.146     2.149   75.000   71.769
LGA    T    78_B      T    78_B     1.594     0    0.152   0.382     2.218   72.857   72.925
LGA    S    79_B      S    79_B     1.717     0    0.668   0.591     3.379   69.286   67.778
LGA    G    80_B      G    80_B     1.490     0    0.144   0.144     1.493   81.429   81.429
LGA    N    81_B      N    81_B     1.894     3    0.102   0.116     2.639   72.857   43.571
LGA    T    82_B      T    82_B     2.149     0    0.075   0.129     2.930   70.833   64.966
LGA    G    83_B      G    83_B     1.045     0    0.033   0.033     1.301   83.690   83.690
LGA    V    84_B      V    84_B     1.277     0    0.030   1.377     3.985   81.429   74.762
LGA    G    85_B      G    85_B     1.947     0    0.046   0.046     2.052   70.833   70.833
LGA    L    86_B      L    86_B     1.759     0    0.037   1.298     2.613   72.857   73.274
LGA    A    87_B      A    87_B     1.268     0    0.037   0.039     1.461   81.429   83.238
LGA    M    88_B      M    88_B     1.794     0    0.079   0.958     2.273   72.857   71.905
LGA    V    89_B      V    89_B     2.374     0    0.067   0.119     2.671   62.857   61.497
LGA    A    90_B      A    90_B     1.952     0    0.082   0.078     2.384   66.786   68.000
LGA    A    91_B      A    91_B     1.732     0    0.030   0.046     2.501   66.905   69.810
LGA    A    92_B      A    92_B     3.018     0    0.041   0.041     3.537   52.024   51.619
LGA    K    93_B      K    93_B     3.001     0    0.044   0.723     3.190   53.571   59.101
LGA    G    94_B      G    94_B     2.731     0    0.178   0.178     2.731   60.952   60.952
LGA    Y    95_B      Y    95_B     1.653     0    0.038   0.094     1.976   72.857   73.571
LGA    H    96_B      H    96_B     1.412     0    0.038   1.314     7.161   79.286   51.905
LGA    L    97_B      L    97_B     0.769     0    0.033   0.226     0.975   90.476   92.857
LGA    V    98_B      V    98_B     1.028     0    0.045   1.355     3.808   85.952   78.571
LGA    I    99_B      I    99_B     0.964     0    0.020   0.661     1.766   85.952   86.012
LGA    T   100_B      T   100_B     1.747     0    0.028   0.097     2.181   72.857   71.701
LGA    M   101_B      M   101_B     2.068     0    0.029   0.596     2.382   66.786   66.786
LGA    P   102_B      P   102_B     2.322     0    0.019   0.203     2.667   64.762   63.673
LGA    E   103_B      E   103_B     2.023     0    0.018   0.712     2.424   66.786   65.661
LGA    T   104_B      T   104_B     2.622     0    0.030   0.038     3.100   59.048   57.211
LGA    M   105_B      M   105_B     3.004     0    0.099   0.722     3.796   50.119   54.821
LGA    S   106_B      S   106_B     3.542     0    0.431   0.728     5.880   53.810   43.810
LGA    V   107_B      V   107_B     3.096     0    0.637   1.431     6.643   48.571   41.156
LGA    E   108_B      E   108_B     2.844     0    0.027   1.334     5.328   62.976   49.630
LGA    R   109_B      R   109_B     0.919     4    0.050   0.559     2.005   88.214   55.281
LGA    R   110_B      R   110_B     1.166     0    0.085   1.193     3.623   83.690   73.506
LGA    K   111_B      K   111_B     1.153     0    0.035   0.752     3.106   85.952   72.593
LGA    L   112_B      L   112_B     0.819     0    0.051   1.259     3.451   90.476   76.190
LGA    M   113_B      M   113_B     0.653     0    0.029   0.293     1.242   90.476   89.345
LGA    Q   114_B      Q   114_B     0.631     0    0.025   0.919     3.472   90.476   84.974
LGA    G   115_B      G   115_B     0.749     0    0.059   0.059     1.098   88.214   88.214
LGA    Y   116_B      Y   116_B     0.768     0    0.035   0.673     2.105   90.476   82.460
LGA    G   117_B      G   117_B     0.677     0    0.051   0.051     0.974   90.476   90.476
LGA    A   118_B      A   118_B     0.510     0    0.026   0.024     0.608   90.476   92.381
LGA    E   119_B      E   119_B     1.042     0    0.051   0.903     2.829   83.690   80.741
LGA    L   120_B      L   120_B     1.064     0    0.019   1.029     2.894   79.286   76.369
LGA    I   121_B      I   121_B     1.583     1    0.028   1.323     3.579   75.000   59.167
LGA    L   122_B      L   122_B     1.812     0    0.074   0.151     2.176   68.810   70.833
LGA    T   123_B      T   123_B     2.624     0    0.045   0.077     2.796   59.048   58.231
LGA    P   124_B      P   124_B     3.286     0    0.034   0.159     3.748   48.333   47.143
LGA    G   125_B      G   125_B     3.529     0    0.038   0.038     4.073   41.905   41.905
LGA    A   126_B      A   126_B     5.028     0    0.057   0.063     5.543   31.548   29.524
LGA    D   127_B      D   127_B     3.870     0    0.069   0.545     5.388   43.452   41.310
LGA    G   128_B      G   128_B     3.393     0    0.049   0.049     3.564   48.333   48.333
LGA    M   129_B      M   129_B     2.935     0    0.053   0.497     3.567   53.571   52.738
LGA    K   130_B      K   130_B     3.431     4    0.050   0.096     3.506   50.000   27.037
LGA    G   131_B      G   131_B     3.335     0    0.034   0.034     3.412   50.000   50.000
LGA    A   132_B      A   132_B     2.397     0    0.030   0.041     2.784   62.857   63.238
LGA    I   133_B      I   133_B     2.309     0    0.096   0.178     2.528   62.857   63.810
LGA    A   134_B      A   134_B     3.031     0    0.032   0.044     3.321   55.357   54.286
LGA    K   135_B      K   135_B     2.739     0    0.034   0.578     3.084   57.143   59.048
LGA    A   136_B      A   136_B     2.143     0    0.037   0.043     2.370   64.762   66.381
LGA    E   137_B      E   137_B     2.251     2    0.063   0.131     2.541   62.857   51.323
LGA    E   138_B      E   138_B     2.780     0    0.036   0.811     5.874   57.143   46.878
LGA    L   139_B      L   139_B     2.640     0    0.035   0.117     2.952   57.143   57.143
LGA    V   140_B      V   140_B     2.370     0    0.188   0.263     2.507   62.857   63.673
LGA    K   141_B      K   141_B     2.627     4    0.125   0.134     3.040   55.357   30.952
LGA    E   142_B      E   142_B     2.273     4    0.108   0.139     2.634   62.857   36.032
LGA    K   143_B      K   143_B     1.864     4    0.542   0.557     3.485   69.286   38.889
LGA    G   144_B      G   144_B     1.527     0    0.055   0.055     1.878   79.405   79.405
LGA    Y   145_B      Y   145_B     1.356     0    0.224   0.375     4.028   83.690   65.714
LGA    F   146_B      F   146_B     1.397     0    0.061   0.133     1.455   81.429   83.896
LGA    M   147_B      M   147_B     1.119     0    0.021   0.314     1.467   81.429   81.429
LGA    P   148_B      P   148_B     1.150     0    0.619   0.726     2.211   77.262   81.633
LGA    M   149_B      M   149_B     3.168     3    0.338   0.371     3.617   59.405   35.119
LGA    Q   150_B      Q   150_B     2.952     4    0.689   0.638     4.798   50.357   25.873
LGA    F   151_B      F   151_B     3.120     0    0.147   1.234    11.677   59.167   25.628
LGA    D   152_B      D   152_B     4.023     3    0.200   0.219     5.914   36.786   21.071
LGA    N   153_B      N   153_B     7.081     3    0.076   0.118     8.090   16.667    8.929
LGA    P   154_B      P   154_B     8.005     0    0.235   0.265     9.725    4.048    2.789
LGA    A   155_B      A   155_B    12.456     0    0.607   0.612    14.355    0.000    0.000
LGA    H   160_B      H   160_B    12.171     5    0.642   0.616    13.059    0.000    0.000
LGA    E   161_B      E   161_B     7.990     0    0.067   0.657     9.323    7.976    9.259
LGA    E   162_B      E   162_B     7.089     0    0.204   1.088     8.956   10.833    8.942
LGA    T   163_B      T   163_B     8.716     0    0.151   1.149    10.439    3.333    2.993
LGA    T   164_B      T   164_B     9.569     0    0.051   0.189    10.408    1.905    1.156
LGA    G   165_B      G   165_B     7.194     0    0.036   0.036     7.908   10.952   10.952
LGA    K   166_B      K   166_B     6.847     4    0.060   0.096     7.624   10.238    6.032
LGA    E   167_B      E   167_B     9.267     0    0.025   0.869    10.008    2.024    1.587
LGA    I   168_B      I   168_B     9.160     0    0.028   0.101     9.667    1.786    1.726
LGA    L   169_B      L   169_B     7.699     0    0.032   0.775     8.740    5.476    9.940
LGA    E   170_B      E   170_B     9.588     0    0.031   0.898    12.529    0.833    0.423
LGA    A   171_B      A   171_B    10.937     0    0.059   0.057    11.403    0.000    0.000
LGA    F   172_B      F   172_B     9.508     0    0.034   0.362     9.786    0.476    2.684
LGA    G   173_B      G   173_B    10.666     0    0.138   0.138    10.708    0.000    0.000
LGA    D   174_B      D   174_B     8.959     0    0.019   1.132    13.492    2.500    1.310
LGA    D   175_B      D   175_B     8.633     0    0.187   0.301    10.157    3.929    2.381
LGA    I   176_B      I   176_B     5.835     0    0.220   0.479     6.521   23.095   22.917
LGA    P   177_B      P   177_B     3.986     0    0.385   0.506     5.301   40.476   37.551
LGA    D   178_B      D   178_B     2.463     0    0.033   0.166     3.507   62.857   58.333
LGA    A   179_B      A   179_B     1.797     0    0.032   0.044     2.087   70.833   71.238
LGA    F   180_B      F   180_B     1.581     0    0.025   0.131     2.472   77.143   71.472
LGA    V   181_B      V   181_B     1.189     0    0.026   0.095     1.455   81.429   85.306
LGA    A   182_B      A   182_B     1.705     0    0.083   0.100     2.062   75.000   72.952
LGA    G   183_B      G   183_B     1.666     0    0.054   0.054     1.701   77.143   77.143
LGA    V   184_B      V   184_B     1.856     0    0.075   1.111     3.833   68.810   65.170
LGA    G   185_B      G   185_B     2.438     0    0.097   0.097     3.748   55.714   55.714
LGA    T   186_B      T   186_B     4.902     0    0.061   0.100     6.378   31.905   26.803
LGA    G   187_B      G   187_B     3.418     0    0.033   0.033     3.733   46.667   46.667
LGA    G   188_B      G   188_B     4.570     0    0.106   0.106     4.570   35.714   35.714
LGA    T   189_B      T   189_B     3.855     0    0.030   0.116     4.705   46.667   41.769
LGA    L   190_B      L   190_B     2.448     0    0.024   0.418     3.086   62.857   62.976
LGA    T   191_B      T   191_B     2.543     0    0.028   0.128     3.032   57.143   56.122
LGA    G   192_B      G   192_B     3.131     0    0.020   0.020     3.131   53.571   53.571
LGA    V   193_B      V   193_B     2.978     0    0.041   0.107     3.267   57.143   54.082
LGA    G   194_B      G   194_B     2.275     0    0.070   0.070     2.469   64.762   64.762
LGA    H   195_B      H   195_B     2.253     0    0.038   0.362     3.016   64.762   63.381
LGA    A   196_B      A   196_B     3.173     0    0.018   0.028     3.574   51.786   50.095
LGA    L   197_B      L   197_B     2.663     0    0.022   0.115     3.316   59.048   58.155
LGA    K   198_B      K   198_B     2.215     0    0.068   0.514     2.450   64.762   71.270
LGA    K   199_B      K   199_B     2.884     2    0.056   0.339     2.973   57.143   44.444
LGA    A   200_B      A   200_B     2.893     0    0.031   0.036     2.919   57.143   57.143
LGA    N   201_B      N   201_B     2.480     0    0.140   0.301     3.006   60.952   60.060
LGA    P   202_B      P   202_B     2.360     0    0.741   0.856     4.909   54.524   57.823
LGA    N   203_B      N   203_B     2.302     0    0.144   1.068     3.832   64.762   61.131
LGA    V   204_B      V   204_B     2.223     0    0.048   1.090     3.674   68.810   60.952
LGA    Q   205_B      Q   205_B     1.643     0    0.043   0.995     3.744   72.857   67.090
LGA    I   206_B      I   206_B     1.589     0    0.022   0.388     1.859   77.143   76.071
LGA    Y   207_B      Y   207_B     1.249     0    0.019   0.443     3.027   81.429   76.111
LGA    A   208_B      A   208_B     1.552     0    0.035   0.037     1.922   79.286   78.000
LGA    L   209_B      L   209_B     1.529     0    0.014   1.119     3.593   75.000   67.262
LGA    E   210_B      E   210_B     2.386     0    0.055   0.394     2.613   62.976   66.667
LGA    P   211_B      P   211_B     3.086     0    0.058   0.269     3.492   51.786   51.020
LGA    A   212_B      A   212_B     3.235     0    0.566   0.512     3.553   48.333   48.667
LGA    P   236_B      P   236_B    14.105     0    0.493   0.778    15.409    0.000    0.000
LGA    K   237_B      K   237_B    14.495     0    0.515   1.034    16.128    0.000    0.000
LGA    V   238_B      V   238_B    14.327     0    0.625   0.794    17.893    0.000    0.000
LGA    L   239_B      L   239_B     8.677     0    0.124   1.444    10.691    2.619    7.738
LGA    D   240_B      D   240_B     7.162     0    0.049   0.158     8.584   16.190   12.381
LGA    T   241_B      T   241_B     3.808     0    0.161   0.242     5.757   47.857   39.456
LGA    D   242_B      D   242_B     3.047     0    0.138   0.173     4.537   53.571   46.190
LGA    V   243_B      V   243_B     2.147     0    0.072   1.328     3.850   66.905   65.306
LGA    Y   244_B      Y   244_B     1.204     0    0.093   1.061     6.916   83.810   58.056
LGA    N   245_B      N   245_B     1.015     0    0.089   0.301     1.983   83.690   80.417
LGA    G   246_B      G   246_B     1.031     0    0.029   0.029     1.031   85.952   85.952
LGA    I   247_B      I   247_B     1.252     0    0.052   1.134     3.557   81.429   74.524
LGA    L   248_B      L   248_B     1.183     0    0.042   0.846     3.974   81.429   75.655
LGA    E   249_B      E   249_B     2.165     0    0.042   0.444     2.496   66.786   66.561
LGA    I   250_B      I   250_B     2.715     0    0.031   0.183     3.054   55.357   58.155
LGA    K   251_B      K   251_B     3.521     2    0.061   0.718     4.937   46.667   33.862
LGA    S   252_B      S   252_B     3.718     0    0.027   0.549     4.841   43.333   41.349
LGA    D   253_B      D   253_B     3.936     0    0.017   1.007     6.660   43.333   33.571
LGA    D   254_B      D   254_B     3.258     0    0.030   0.612     4.223   48.333   45.893
LGA    A   255_B      A   255_B     2.891     0    0.038   0.069     3.068   53.571   52.857
LGA    I   256_B      I   256_B     3.707     0    0.013   0.160     4.578   45.000   40.357
LGA    T   257_B      T   257_B     3.688     0    0.078   1.156     6.262   46.667   40.612
LGA    M   258_B      M   258_B     2.750     0    0.045   0.924     3.580   55.357   57.381
LGA    A   259_B      A   259_B     2.757     0    0.040   0.043     2.902   57.143   57.143
LGA    R   260_B      R   260_B     3.376     0    0.033   1.330     8.285   50.000   32.684
LGA    E   261_B      E   261_B     3.080     0    0.056   0.946     4.512   53.571   48.148
LGA    V   262_B      V   262_B     2.062     0    0.028   0.397     2.429   66.786   67.075
LGA    G   263_B      G   263_B     2.197     0    0.094   0.094     2.272   64.762   64.762
LGA    H   264_B      H   264_B     2.755     0    0.107   0.876     4.972   59.048   52.095
LGA    Q   265_B      Q   265_B     2.436     0    0.076   1.080     4.722   64.762   58.624
LGA    E   266_B      E   266_B     1.511     0    0.050   0.843     3.243   75.000   73.492
LGA    G   267_B      G   267_B     1.717     0    0.063   0.063     1.717   72.857   72.857
LGA    I   268_B      I   268_B     1.489     0    0.034   0.222     1.882   77.143   78.214
LGA    L   269_B      L   269_B     2.547     0    0.033   0.204     4.110   59.048   52.143
LGA    V   270_B      V   270_B     2.888     0    0.052   0.129     3.386   53.571   55.102
LGA    G   271_B      G   271_B     3.553     0    0.037   0.037     3.553   48.333   48.333
LGA    I   272_B      I   272_B     3.521     0    0.038   0.228     5.521   48.452   40.893
LGA    S   273_B      S   273_B     2.802     0    0.128   0.538     3.145   59.167   56.111
LGA    A   274_B      A   274_B     1.794     0    0.036   0.047     2.085   72.976   72.952
LGA    G   275_B      G   275_B     2.110     0    0.046   0.046     2.133   66.786   66.786
LGA    A   276_B      A   276_B     2.218     0    0.034   0.043     2.545   68.810   66.476
LGA    N   277_B      N   277_B     1.424     0    0.021   0.067     1.959   81.548   78.274
LGA    I   278_B      I   278_B     1.197     0    0.061   0.245     1.395   81.429   82.560
LGA    K   279_B      K   279_B     1.838     0    0.039   0.464     5.082   72.857   60.053
LGA    G   280_B      G   280_B     1.133     0    0.023   0.023     1.360   81.429   81.429
LGA    A   281_B      A   281_B     0.963     0    0.029   0.033     1.609   83.810   85.143
LGA    I   282_B      I   282_B     1.901     0    0.028   1.485     4.893   69.048   55.893
LGA    E   283_B      E   283_B     2.136     0    0.056   0.323     2.549   64.881   68.466
LGA    V   284_B      V   284_B     1.894     0    0.021   0.121     2.546   66.905   69.524
LGA    A   285_B      A   285_B     2.514     0    0.031   0.039     3.257   57.262   58.762
LGA    K   286_B      K   286_B     3.199     0    0.033   0.736     5.282   50.119   47.460
LGA    K   287_B      K   287_B     3.356     2    0.293   0.800     3.763   48.333   43.228
LGA    L   288_B      L   288_B     3.553     0    0.641   0.627     5.336   40.714   44.524
LGA    G   289_B      G   289_B     3.320     0    0.095   0.095     3.436   50.000   50.000
LGA    K   290_B      K   290_B     4.018     2    0.107   0.412     6.683   43.452   27.831
LGA    G   291_B      G   291_B     4.000     0    0.029   0.029     4.043   40.238   40.238
LGA    K   292_B      K   292_B     3.294     0    0.035   0.595     4.710   51.905   45.291
LGA    Q   293_B      Q   293_B     2.315     0    0.061   1.273     8.268   62.857   41.693
LGA    V   294_B      V   294_B     1.596     0    0.043   0.781     3.434   75.000   72.041
LGA    I   295_B      I   295_B     1.553     0    0.036   0.738     4.163   77.143   66.548
LGA    T   296_B      T   296_B     1.133     0    0.118   0.239     1.257   81.429   85.306
LGA    V   297_B      V   297_B     1.969     0    0.042   0.333     2.967   72.857   68.299
LGA    A   298_B      A   298_B     2.117     0    0.069   0.066     2.729   62.857   63.238
LGA    P   299_B      P   299_B     2.855     0    0.046   0.201     3.942   53.810   55.306
LGA    D   300_B      D   300_B     4.233     0    0.097   0.220     6.543   45.119   35.417
LGA    G   301_B      G   301_B     3.812     0    0.047   0.047     4.423   40.238   40.238
LGA    G   302_B      G   302_B     4.115     0    0.103   0.103     4.362   38.690   38.690
LGA    D   303_B      D   303_B     3.776     0    0.179   1.173     4.916   37.262   39.643
LGA    R   304_B      R   304_B     5.037     6    0.104   0.104     5.646   26.310   11.948
LGA    Y   305_B      Y   305_B     5.409     0    0.066   0.194     5.772   23.810   26.270
LGA    L   306_B      L   306_B     5.161     0    0.048   0.213     5.937   23.810   29.762
LGA    S   307_B      S   307_B     7.182     0    0.082   0.645     8.265    8.810    8.254
LGA    T   308_B      T   308_B     7.646     0    0.056   0.136     7.646    8.571    9.660
LGA    E   309_B      E   309_B     8.010     3    0.061   0.666     9.683    7.262    3.598
LGA    L   310_B      L   310_B     6.370     0    0.046   0.102     6.987   17.262   21.190
LGA    F   311_B      F   311_B     4.862     0    0.426   0.829     5.317   33.095   42.771
LGA    N   312_B      N   312_B     7.221     0    0.255   1.223    12.742   14.524    7.440
LGA    Y   313_B      Y   313_B     8.830     0    0.356   1.240     9.680    3.214   16.627

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      281    1124   1124  100.00    1997   1997  100.00               281
SUMMARY(RMSD_GDC):     3.976          3.949                  4.262           56.717   52.993

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  313  281    4.0    232    2.42    64.057    59.366     9.203

LGA_LOCAL      RMSD:   2.421  Number of atoms:  232  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   4.041  Number of assigned atoms:  281 
Std_ASGN_ATOMS RMSD:   3.976  Standard rmsd on all 281 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.663320 * X  +   0.685095 * Y  +   0.301084 * Z  +  46.622627
  Y_new =   0.717490 * X  +   0.467909 * Y  +   0.516013 * Z  +   4.149810
  Z_new =   0.212638 * X  +   0.558307 * Y  +  -0.801922 * Z  +  19.334633 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.316984 -0.214274  2.533414   [DEG:  132.7534  -12.2770  145.1539 ]
ZXZ:  2.613408  2.501302  0.363900   [DEG:  149.7372  143.3140   20.8499 ]
 
# END of job
