
#######################################################
#                                                     #
#                        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       3.87     3.87
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   135      14_B - 148_B       2.00     4.10
  LCS_AVERAGE:     38.73

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    97      52_B - 148_B       0.97     4.89
  LONGEST_CONTINUOUS_SEGMENT:    97      53_B - 149_B       1.00     4.88
  LCS_AVERAGE:     22.67

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  281
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     H     6_B     H     6_B      3   16  281      3    8   65  111  155  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     H     7_B     H     7_B     13   17  281      7   70  100  119  137  162  193  223  242  248  254  256  262  264  270  272  275  276  276  277 
LCS_GDT     T     8_B     T     8_B     13   17  281      7   68  101  120  144  176  206  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     K     9_B     K     9_B     13   17  281      7   69  101  121  150  177  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     I    10_B     I    10_B     13   17  281      7   13  101  121  150  177  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     T    11_B     T    11_B     13   17  281      7   50  101  121  150  182  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     N    12_B     N    12_B     13   17  281      7   12   46  120  146  177  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     S    13_B     S    13_B     13   33  281      7   13   97  121  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     I    14_B     I    14_B     13  135  281     28   75  101  121  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     V    15_B     V    15_B     13  135  281     32   72  101  121  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     N    16_B     N    16_B     13  135  281     47   75  101  121  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     L    17_B     L    17_B     27  135  281     25   75  101  121  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     I    18_B     I    18_B     29  135  281     10   70  110  126  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     G    19_B     G    19_B     29  135  281      5   47  115  129  136  141  200  233  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     N    20_B     N    20_B     29  135  281     11  100  116  129  136  164  215  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     T    21_B     T    21_B     29  135  281     77  102  116  129  153  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     P    22_B     P    22_B     29  135  281     69  102  116  129  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     I    23_B     I    23_B     29  135  281     62  102  116  129  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     V    24_B     V    24_B     29  135  281     77  102  116  129  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     K    25_B     K    25_B     29  135  281     77  102  116  129  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     L    26_B     L    26_B     29  135  281     77  102  116  129  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     N    27_B     N    27_B     29  135  281     65  102  116  129  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     R    28_B     R    28_B     29  135  281     77  102  116  129  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     V    29_B     V    29_B     29  135  281     77  102  116  129  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     V    30_B     V    30_B     29  135  281     77  102  116  129  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     P    31_B     P    31_B     29  135  281     77  102  116  129  155  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     E    32_B     E    32_B     29  135  281     77  102  116  129  153  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     D    33_B     D    33_B     29  135  281     77  102  116  129  136  192  217  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     A    34_B     A    34_B     29  135  281     77  102  116  129  154  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     A    35_B     A    35_B     29  135  281     77  102  116  129  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     D    36_B     D    36_B     29  135  281     77  102  116  129  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     V    37_B     V    37_B     29  135  281     77  102  116  129  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     Y    38_B     Y    38_B     29  135  281     77  102  116  129  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     V    39_B     V    39_B     29  135  281     77  102  116  129  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     K    40_B     K    40_B     29  135  281     77  102  116  129  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     L    41_B     L    41_B     29  135  281     77  102  116  129  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     E    42_B     E    42_B     29  135  281     77  102  116  129  159  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     F    43_B     F    43_B     29  135  281     75  102  116  129  150  191  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     F    44_B     F    44_B     29  135  281     41   99  115  129  138  162  204  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     N    45_B     N    45_B     29  135  281      4   99  115  129  136  143  177  231  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     P    46_B     P    46_B     29  135  281      4   15   80  129  136  141  155  196  241  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     G    47_B     G    47_B     33  135  281     18   65   91  120  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     G    48_B     G    48_B     33  135  281      4   10   32   71  121  172  210  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     S    49_B     S    49_B     33  135  281      4   33   59   90  135  184  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     I    50_B     I    50_B     33  135  281      4   26   59   88  135  184  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     K    51_B     K    51_B     33  135  281      8   35   68   92  132  184  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     D    52_B     D    52_B     97  135  281     32   73  101  120  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     R    53_B     R    53_B     97  135  281     21   72   98  121  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     I    54_B     I    54_B     97  135  281      9   44   84  121  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     A    55_B     A    55_B     97  135  281      9   53   91  120  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     L    56_B     L    56_B     97  135  281     40   75  101  121  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     A    57_B     A    57_B     97  135  281     28   70  101  121  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     M    58_B     M    58_B     97  135  281     28   68  101  121  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     I    59_B     I    59_B     97  135  281     38   75  101  121  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     E    60_B     E    60_B     97  135  281     37   75  101  121  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     E    61_B     E    61_B     97  135  281     37   75  101  121  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     A    62_B     A    62_B     97  135  281     44   75  101  121  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     E    63_B     E    63_B     97  135  281     44   75  101  121  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     K    64_B     K    64_B     97  135  281     37   75  101  121  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     A    65_B     A    65_B     97  135  281     40   75  101  121  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     G    66_B     G    66_B     97  135  281     44   75  101  121  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     K    67_B     K    67_B     97  135  281     46   75  101  121  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     L    68_B     L    68_B     97  135  281     46   75  101  121  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     Q    69_B     Q    69_B     97  135  281     47   75  101  121  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     A    70_B     A    70_B     97  135  281     45   75  101  121  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     G    71_B     G    71_B     97  135  281     45   75  101  121  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     G    72_B     G    72_B     97  135  281     47   75  101  121  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     T    73_B     T    73_B     97  135  281     47   75  101  121  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     I    74_B     I    74_B     97  135  281     47   75  101  121  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     V    75_B     V    75_B     97  135  281     47   75  101  121  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     E    76_B     E    76_B     97  135  281     47   75  101  121  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     P    77_B     P    77_B     97  135  281     47   75  101  121  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     T    78_B     T    78_B     97  135  281     45   75  101  121  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     S    79_B     S    79_B     97  135  281     35   75  101  121  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     G    80_B     G    80_B     97  135  281     14   42   91  121  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     N    81_B     N    81_B     97  135  281     14   49  107  125  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     T    82_B     T    82_B     97  135  281     19   58  105  124  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     G    83_B     G    83_B     97  135  281     29   70  101  121  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     V    84_B     V    84_B     97  135  281     37   72  101  121  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     G    85_B     G    85_B     97  135  281     29   70  101  121  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     L    86_B     L    86_B     97  135  281     29   70  101  121  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     A    87_B     A    87_B     97  135  281     45   75  101  121  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     M    88_B     M    88_B     97  135  281     45   75  101  121  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     V    89_B     V    89_B     97  135  281     38   72  101  121  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     A    90_B     A    90_B     97  135  281     38   75  101  121  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     A    91_B     A    91_B     97  135  281     45   75  101  121  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     A    92_B     A    92_B     97  135  281     43   75  101  121  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     K    93_B     K    93_B     97  135  281     38   72  101  121  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     G    94_B     G    94_B     97  135  281     44   75  101  121  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     Y    95_B     Y    95_B     97  135  281     47   75  101  121  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     H    96_B     H    96_B     97  135  281     47   75  101  121  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     L    97_B     L    97_B     97  135  281     47   75  101  121  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     V    98_B     V    98_B     97  135  281     47   75  101  121  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     I    99_B     I    99_B     97  135  281     47   75  101  121  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     T   100_B     T   100_B     97  135  281     47   75  101  121  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     M   101_B     M   101_B     97  135  281     47   75  101  121  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     P   102_B     P   102_B     97  135  281     47   75  101  121  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     E   103_B     E   103_B     97  135  281     47   75  101  121  158  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     T   104_B     T   104_B     97  135  281     47   75  101  121  154  190  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     M   105_B     M   105_B     97  135  281      9   75  101  121  158  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     S   106_B     S   106_B     97  135  281      3   66  101  121  153  186  217  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     V   107_B     V   107_B     97  135  281     12   28   94  119  153  186  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     E   108_B     E   108_B     97  135  281      4   29   75  110  129  158  201  229  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     R   109_B     R   109_B     97  135  281     10   58   97  121  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     R   110_B     R   110_B     97  135  281     47   75  101  121  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     K   111_B     K   111_B     97  135  281     39   74  101  121  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     L   112_B     L   112_B     97  135  281     43   75  101  121  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     M   113_B     M   113_B     97  135  281     46   75  101  121  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     Q   114_B     Q   114_B     97  135  281     47   75  101  121  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     G   115_B     G   115_B     97  135  281     47   75  101  121  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     Y   116_B     Y   116_B     97  135  281     47   75  101  121  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     G   117_B     G   117_B     97  135  281     47   75  101  121  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     A   118_B     A   118_B     97  135  281     47   75  101  121  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     E   119_B     E   119_B     97  135  281     47   75  101  121  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     L   120_B     L   120_B     97  135  281     47   75  101  121  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     I   121_B     I   121_B     97  135  281     47   75  101  121  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     L   122_B     L   122_B     97  135  281     47   75  101  121  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     T   123_B     T   123_B     97  135  281     47   75  101  121  158  190  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     P   124_B     P   124_B     97  135  281     45   75  101  121  152  182  215  234  244  250  253  258  263  266  270  272  275  276  276  277 
LCS_GDT     G   125_B     G   125_B     97  135  281     45   75  101  121  149  181  214  234  244  250  253  258  263  266  270  272  275  276  276  277 
LCS_GDT     A   126_B     A   126_B     97  135  281     16   70  101  120  144  170  206  226  242  249  252  256  263  266  270  272  275  276  276  277 
LCS_GDT     D   127_B     D   127_B     97  135  281     47   75  101  121  154  186  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     G   128_B     G   128_B     97  135  281     47   75  101  121  158  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     M   129_B     M   129_B     97  135  281     47   75  101  121  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     K   130_B     K   130_B     97  135  281     47   75  101  121  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     G   131_B     G   131_B     97  135  281     47   75  101  121  159  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     A   132_B     A   132_B     97  135  281     47   75  101  121  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     I   133_B     I   133_B     97  135  281     47   75  101  121  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     A   134_B     A   134_B     97  135  281     47   75  101  121  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     K   135_B     K   135_B     97  135  281     47   75  101  121  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     A   136_B     A   136_B     97  135  281     47   75  101  121  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     E   137_B     E   137_B     97  135  281     47   75  101  121  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     E   138_B     E   138_B     97  135  281     47   75  101  121  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     L   139_B     L   139_B     97  135  281     47   75  101  121  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     V   140_B     V   140_B     97  135  281     47   75  101  121  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     K   141_B     K   141_B     97  135  281     47   75  101  121  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     E   142_B     E   142_B     97  135  281     41   75  101  121  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     K   143_B     K   143_B     97  135  281     35   75  101  121  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     G   144_B     G   144_B     97  135  281     38   75  101  121  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     Y   145_B     Y   145_B     97  135  281     46   75  101  121  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     F   146_B     F   146_B     97  135  281     47   75  101  121  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     M   147_B     M   147_B     97  135  281     47   75  101  121  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     P   148_B     P   148_B     97  135  281     47   75  101  121  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     M   149_B     M   149_B     97  132  281      3    5   54   99  150  182  217  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     Q   150_B     Q   150_B     96  132  281      5   47   84  110  152  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     F   151_B     F   151_B     87  132  281      3   10   56  115  158  191  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     D   152_B     D   152_B      6  124  281      7   21   52   80   95  136  196  233  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     N   153_B     N   153_B      6  121  281      3    6   32   49   70   93  134  145  170  229  245  258  263  266  270  272  275  276  276  277 
LCS_GDT     P   154_B     P   154_B      6  120  281      3   16   35   48   54   92  109  135  188  229  239  253  263  266  270  272  275  276  276  277 
LCS_GDT     A   155_B     A   155_B      6  109  281      3    6    8    9   10   12   14   33   70   84   99  119  152  178  209  247  260  271  276  277 
LCS_GDT     H   160_B     H   160_B      4   18  281      3    4    5    7   17   20   26   27   33   42   51   78  107  153  221  259  268  271  275  277 
LCS_GDT     E   161_B     E   161_B      5   18  281      3    4    5   16   22   31   54  114  171  208  228  248  254  266  270  272  275  276  276  277 
LCS_GDT     E   162_B     E   162_B     12   18  281      3    7   19   32   60   79  111  153  201  232  245  256  263  266  270  272  275  276  276  277 
LCS_GDT     T   163_B     T   163_B     12   18  281      8   11   14   18   32   56   80  118  169  203  225  241  255  266  270  272  275  276  276  277 
LCS_GDT     T   164_B     T   164_B     12   18  281      9   11   14   18   22   28   47   73  108  158  209  233  251  259  267  272  275  276  276  277 
LCS_GDT     G   165_B     G   165_B     12   18  281      9   11   14   18   39   62  104  156  204  224  241  253  263  266  270  272  275  276  276  277 
LCS_GDT     K   166_B     K   166_B     12   18  281      9   11   14   33   51   77  127  182  213  239  250  258  263  266  270  272  275  276  276  277 
LCS_GDT     E   167_B     E   167_B     12   18  281      9   11   26   45   53   73   95  140  147  167  207  240  256  266  270  272  275  276  276  277 
LCS_GDT     I   168_B     I   168_B     12   45  281      9   11   14   25   48   66  111  131  146  154  180  233  253  265  270  272  275  276  276  277 
LCS_GDT     L   169_B     L   169_B     12   45  281      9   17   41   92  130  139  143  147  166  214  245  256  263  266  270  272  275  276  276  277 
LCS_GDT     E   170_B     E   170_B     12   45  281      9   17   47   92  124  139  141  145  152  165  184  234  253  265  270  272  275  276  276  277 
LCS_GDT     A   171_B     A   171_B     12   45  281      9   11   16   35   63  100  122  138  145  151  155  168  191  241  257  269  275  276  276  277 
LCS_GDT     F   172_B     F   172_B     12   45  281      9   11   14   35   63  103  127  142  146  151  161  196  229  255  267  272  275  276  276  277 
LCS_GDT     G   173_B     G   173_B     12   45  281      8   11   18   36   51   89  126  139  145  151  155  167  203  243  258  269  275  276  276  277 
LCS_GDT     D   174_B     D   174_B      5   45  281      4    6   15   32   51   82  112  137  145  151  155  167  178  223  257  264  275  276  276  277 
LCS_GDT     D   175_B     D   175_B      5   45  281      4    9   18   36   64  108  134  142  146  151  170  234  253  260  270  272  275  276  276  277 
LCS_GDT     I   176_B     I   176_B     37   45  281     10   80  112  129  136  139  166  219  242  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     P   177_B     P   177_B     37   45  281     77  102  116  129  153  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     D   178_B     D   178_B     37   45  281     77  102  116  129  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     A   179_B     A   179_B     37   45  281     77  102  116  129  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     F   180_B     F   180_B     37   45  281     77  102  116  129  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     V   181_B     V   181_B     37   45  281     77  102  116  129  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     A   182_B     A   182_B     37   45  281     77  102  116  129  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     G   183_B     G   183_B     37   45  281     22   98  116  129  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     V   184_B     V   184_B     37   45  281     19   64  116  129  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     G   185_B     G   185_B     37   45  281     37   70  101  126  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     T   186_B     T   186_B     37   45  281      6   29   72  116  133  142  172  231  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     G   187_B     G   187_B     37   45  281      6   58  115  129  150  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     G   188_B     G   188_B     37   45  281      6   32   76  111  133  156  209  233  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     T   189_B     T   189_B     37   45  281      6   33   58  102  135  185  217  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     L   190_B     L   190_B     37  101  281     18   48  116  129  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     T   191_B     T   191_B     37  101  281     18   75  115  129  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     G   192_B     G   192_B     37  101  281     18   53  108  128  152  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     V   193_B     V   193_B     37  101  281     17   72  116  129  155  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     G   194_B     G   194_B     37  101  281     18   78  116  129  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     H   195_B     H   195_B     37  101  281     18   78  116  129  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     A   196_B     A   196_B     37  101  281     17   95  116  129  150  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     L   197_B     L   197_B     37  101  281     62  102  116  129  155  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     K   198_B     K   198_B     37  101  281     42  101  116  129  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     K   199_B     K   199_B     37  101  281     21  100  116  129  155  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     A   200_B     A   200_B     37  101  281     50  101  116  129  153  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     N   201_B     N   201_B     37  101  281     50  101  116  129  155  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     P   202_B     P   202_B     37  101  281     34  100  116  129  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     N   203_B     N   203_B     37  101  281     50  102  116  129  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     V   204_B     V   204_B     37  101  281     77  102  116  129  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     Q   205_B     Q   205_B     37  101  281     77  102  116  129  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     I   206_B     I   206_B     37  101  281     77  102  116  129  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     Y   207_B     Y   207_B     37  101  281     77  102  116  129  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     A   208_B     A   208_B     37  101  281     77  102  116  129  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     L   209_B     L   209_B     37  101  281     76  102  116  129  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     E   210_B     E   210_B     37  101  281     76  102  116  129  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     P   211_B     P   211_B     37  101  281     59   98  116  129  155  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     A   212_B     A   212_B     37  101  281     28   91  116  129  142  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     P   236_B     P   236_B      3  101  281      0    3    3    7    9   26   34   51   79  133  148  151  155  162  177  187  197  250  259  269 
LCS_GDT     K   237_B     K   237_B      3  101  281      1    3    3    4    6    9   27   82   99  111  122  132  152  160  174  199  225  237  259  269 
LCS_GDT     V   238_B     V   238_B      5  101  281      4    5    5   10   15   28   36   48   64   80   92  132  147  154  166  191  203  219  259  267 
LCS_GDT     L   239_B     L   239_B      5  101  281      4    6   13   32   51  115  138  149  154  163  182  223  245  263  270  272  275  276  276  277 
LCS_GDT     D   240_B     D   240_B     74  101  281      4    8   67  102  126  139  141  179  198  229  248  258  263  266  270  272  275  276  276  277 
LCS_GDT     T   241_B     T   241_B     74  101  281      5   58  108  129  150  187  217  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     D   242_B     D   242_B     74  101  281     46  102  116  129  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     V   243_B     V   243_B     74  101  281     24  100  116  129  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     Y   244_B     Y   244_B     74  101  281     41  102  116  129  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     N   245_B     N   245_B     74  101  281     58  102  116  129  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     G   246_B     G   246_B     74  101  281     76  102  116  129  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     I   247_B     I   247_B     74  101  281     77  102  116  129  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     L   248_B     L   248_B     74  101  281     77  102  116  129  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     E   249_B     E   249_B     74  101  281     75  102  116  129  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     I   250_B     I   250_B     74  101  281     77  102  116  129  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     K   251_B     K   251_B     74  101  281     77  102  116  129  136  191  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     S   252_B     S   252_B     74  101  281     77  102  116  129  136  170  217  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     D   253_B     D   253_B     74  101  281     77  102  116  129  136  168  215  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     D   254_B     D   254_B     74  101  281     77  102  116  129  136  192  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     A   255_B     A   255_B     74  101  281     77  102  116  129  150  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     I   256_B     I   256_B     74  101  281     77  102  116  129  136  183  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     T   257_B     T   257_B     74  101  281     77  102  116  129  136  183  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     M   258_B     M   258_B     74  101  281     77  102  116  129  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     A   259_B     A   259_B     74  101  281     77  102  116  129  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     R   260_B     R   260_B     74  101  281     77  102  116  129  136  192  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     E   261_B     E   261_B     74  101  281     77  102  116  129  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     V   262_B     V   262_B     74  101  281     77  102  116  129  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     G   263_B     G   263_B     74  101  281     77  102  116  129  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     H   264_B     H   264_B     74  101  281     77  102  116  129  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     Q   265_B     Q   265_B     74  101  281     77  102  116  129  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     E   266_B     E   266_B     74  101  281     77  102  116  129  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     G   267_B     G   267_B     74  101  281     77  102  116  129  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     I   268_B     I   268_B     74  101  281     77  102  116  129  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     L   269_B     L   269_B     74  101  281     77  102  116  129  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     V   270_B     V   270_B     74  101  281     72  102  116  129  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     G   271_B     G   271_B     74  101  281     77  102  116  129  136  183  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     I   272_B     I   272_B     74  101  281     77  102  116  129  136  191  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     S   273_B     S   273_B     74  101  281     77  102  116  129  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     A   274_B     A   274_B     74  101  281     77  102  116  129  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     G   275_B     G   275_B     74  101  281     77  102  116  129  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     A   276_B     A   276_B     74  101  281     77  102  116  129  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     N   277_B     N   277_B     74  101  281     77  102  116  129  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     I   278_B     I   278_B     74  101  281     77  102  116  129  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     K   279_B     K   279_B     74  101  281     77  102  116  129  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     G   280_B     G   280_B     74  101  281     77  102  116  129  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     A   281_B     A   281_B     74  101  281     77  102  116  129  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     I   282_B     I   282_B     74  101  281     77  102  116  129  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     E   283_B     E   283_B     74  101  281     77  102  116  129  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     V   284_B     V   284_B     74  101  281     77  102  116  129  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     A   285_B     A   285_B     74  101  281     77  102  116  129  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     K   286_B     K   286_B     74  101  281     77  102  116  129  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     K   287_B     K   287_B     74  101  281     77  102  116  129  155  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     L   288_B     L   288_B     74  101  281     77  102  116  129  155  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     G   289_B     G   289_B     74  101  281     77  102  116  129  136  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     K   290_B     K   290_B     74  101  281     77  102  116  129  136  192  217  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     G   291_B     G   291_B     74  101  281     58  102  116  129  136  168  217  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     K   292_B     K   292_B     74  101  281     77  102  116  129  143  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     Q   293_B     Q   293_B     74  101  281     77  102  116  129  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     V   294_B     V   294_B     74  101  281     77  102  116  129  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     I   295_B     I   295_B     74  101  281     77  102  116  129  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     T   296_B     T   296_B     74  101  281     77  102  116  129  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     V   297_B     V   297_B     74  101  281     77  102  116  129  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     A   298_B     A   298_B     74  101  281     77  102  116  129  160  193  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     P   299_B     P   299_B     74  101  281     77  102  116  129  151  192  218  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     D   300_B     D   300_B     74  101  281     14   98  116  129  136  147  193  233  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     G   301_B     G   301_B     74  101  281     41  102  116  129  136  165  210  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     G   302_B     G   302_B     74  101  281     62  102  116  129  136  146  205  234  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     D   303_B     D   303_B     74  101  281     76  102  116  129  136  146  204  231  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     R   304_B     R   304_B     74  101  281     75  102  116  129  136  141  198  231  244  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     Y   305_B     Y   305_B     74  101  281     72  102  116  129  136  141  183  227  243  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     L   306_B     L   306_B     74  101  281     62  102  116  129  136  141  177  227  243  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     S   307_B     S   307_B     74  101  281     38  100  116  129  136  141  149  164  237  248  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     T   308_B     T   308_B     74  101  281      6   94  115  129  136  141  149  164  219  247  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     E   309_B     E   309_B     74  101  281     14   69  111  129  136  141  149  164  207  246  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     L   310_B     L   310_B     74  101  281     14   94  115  129  136  141  169  217  240  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     F   311_B     F   311_B     74  101  281     42  102  116  129  136  141  172  221  241  250  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     N   312_B     N   312_B     74  101  281      4   58  112  129  136  141  149  172  226  246  254  258  263  266  270  272  275  276  276  277 
LCS_GDT     Y   313_B     Y   313_B     74  101  281      4   20  105  127  136  141  158  200  228  247  254  258  263  266  270  272  275  276  276  277 
LCS_AVERAGE  LCS_A:  53.80  (  22.67   38.73  100.00 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT     77    102    116    129    160    193    218    234    244    250    254    258    263    266    270    272    275    276    276    277 
GDT PERCENT_AT  27.40  36.30  41.28  45.91  56.94  68.68  77.58  83.27  86.83  88.97  90.39  91.81  93.59  94.66  96.09  96.80  97.86  98.22  98.22  98.58
GDT RMS_LOCAL    0.25   0.44   0.64   0.83   1.67   1.94   2.16   2.31   2.44   2.54   2.68   2.77   2.91   3.04   3.18   3.26   3.41   3.47   3.47   3.54
GDT RMS_ALL_AT   6.31   6.35   6.07   6.27   4.01   3.97   3.97   3.96   3.95   3.94   3.94   3.92   3.90   3.89   3.88   3.88   3.88   3.88   3.88   3.87

# Checking swapping
#   possible swapping detected:  D    36_B      D    36_B
#   possible swapping detected:  Y    38_B      Y    38_B
#   possible swapping detected:  F    44_B      F    44_B
#   possible swapping detected:  D    52_B      D    52_B
#   possible swapping detected:  E    60_B      E    60_B
#   possible swapping detected:  E    63_B      E    63_B
#   possible swapping detected:  Y   116_B      Y   116_B
#   possible swapping detected:  D   127_B      D   127_B
#   possible swapping detected:  E   138_B      E   138_B
#   possible swapping detected:  Y   145_B      Y   145_B
#   possible swapping detected:  E   162_B      E   162_B
#   possible swapping detected:  E   167_B      E   167_B
#   possible swapping detected:  D   174_B      D   174_B
#   possible swapping detected:  D   175_B      D   175_B
#   possible swapping detected:  D   178_B      D   178_B
#   possible swapping detected:  Y   207_B      Y   207_B
#   possible swapping detected:  E   210_B      E   210_B
#   possible swapping detected:  D   240_B      D   240_B
#   possible swapping detected:  D   254_B      D   254_B
#   possible swapping detected:  E   283_B      E   283_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     3.052     0    0.045   1.083    10.597   45.357   24.381
LGA    H     7_B      H     7_B     5.225     0    0.620   1.271    10.320   36.548   16.762
LGA    T     8_B      T     8_B     4.179     0    0.026   0.061     4.472   37.143   38.027
LGA    K     9_B      K     9_B     3.697     4    0.019   0.089     3.757   43.333   24.074
LGA    I    10_B      I    10_B     3.644     0    0.032   0.591     5.243   43.333   41.190
LGA    T    11_B      T    11_B     3.435     0    0.064   0.085     3.457   50.000   50.000
LGA    N    12_B      N    12_B     3.541     0    0.051   1.123     5.551   46.667   39.226
LGA    S    13_B      S    13_B     2.516     0    0.043   0.058     2.903   62.976   62.302
LGA    I    14_B      I    14_B     1.173     0    0.044   0.085     1.770   83.810   87.202
LGA    V    15_B      V    15_B     0.754     0    0.094   0.347     2.010   88.214   81.701
LGA    N    16_B      N    16_B     2.147     0    0.024   0.078     3.318   64.881   60.119
LGA    L    17_B      L    17_B     2.286     0    0.105   0.169     2.734   64.881   62.917
LGA    I    18_B      I    18_B     2.257     0    0.080   0.109     2.924   62.976   67.024
LGA    G    19_B      G    19_B     4.418     0    0.688   0.688     4.746   37.262   37.262
LGA    N    20_B      N    20_B     4.103     0    0.109   0.140     5.161   41.905   37.440
LGA    T    21_B      T    21_B     3.066     0    0.015   0.144     3.746   51.905   50.136
LGA    P    22_B      P    22_B     1.953     0    0.026   0.077     2.267   70.833   74.150
LGA    I    23_B      I    23_B     1.623     0    0.071   0.100     3.089   75.000   68.036
LGA    V    24_B      V    24_B     1.225     0    0.071   0.137     1.783   81.429   80.204
LGA    K    25_B      K    25_B     1.322     0    0.043   0.168     2.335   81.429   73.968
LGA    L    26_B      L    26_B     1.144     0    0.054   0.078     1.822   77.143   81.548
LGA    N    27_B      N    27_B     2.102     0    0.111   0.198     3.126   63.095   64.940
LGA    R    28_B      R    28_B     2.261     0    0.130   1.105     5.657   59.167   53.636
LGA    V    29_B      V    29_B     2.288     0    0.055   0.085     2.456   64.762   65.918
LGA    V    30_B      V    30_B     2.267     0    0.022   1.379     3.698   60.952   58.571
LGA    P    31_B      P    31_B     3.045     0    0.018   0.041     3.200   53.571   54.082
LGA    E    32_B      E    32_B     3.409     4    0.017   0.058     3.714   46.667   25.556
LGA    D    33_B      D    33_B     3.810     0    0.058   0.582     5.165   43.333   39.643
LGA    A    34_B      A    34_B     3.126     0    0.039   0.038     3.363   50.000   51.429
LGA    A    35_B      A    35_B     2.694     0    0.034   0.047     2.842   60.952   61.714
LGA    D    36_B      D    36_B     2.136     0    0.021   0.091     3.217   68.810   63.036
LGA    V    37_B      V    37_B     1.208     0    0.046   0.115     1.527   79.286   81.497
LGA    Y    38_B      Y    38_B     1.242     0    0.025   0.218     3.200   83.690   70.000
LGA    V    39_B      V    39_B     1.124     0    0.025   0.058     1.448   81.429   84.014
LGA    K    40_B      K    40_B     1.904     0    0.050   0.410     4.255   70.833   58.783
LGA    L    41_B      L    41_B     1.967     0    0.049   0.075     2.815   66.905   72.024
LGA    E    42_B      E    42_B     2.727     0    0.088   0.948     5.991   57.262   48.148
LGA    F    43_B      F    43_B     3.312     0    0.046   0.163     3.982   46.667   48.874
LGA    F    44_B      F    44_B     4.142     0    0.241   0.894     6.150   32.262   43.117
LGA    N    45_B      N    45_B     4.453     0    0.114   1.016     5.493   41.905   36.726
LGA    P    46_B      P    46_B     5.554     0    0.039   0.197     7.946   27.738   20.204
LGA    G    47_B      G    47_B     2.155     0    0.157   0.157     5.380   53.452   53.452
LGA    G    48_B      G    48_B     3.880     0    0.109   0.109     5.586   39.762   39.762
LGA    S    49_B      S    49_B     3.183     0    0.058   0.062     3.244   50.000   50.000
LGA    I    50_B      I    50_B     3.244     0    0.157   1.151     5.466   53.571   51.548
LGA    K    51_B      K    51_B     3.163     2    0.181   0.798     3.588   53.571   42.275
LGA    D    52_B      D    52_B     2.295     0    0.025   0.277     3.778   66.905   59.464
LGA    R    53_B      R    53_B     0.724     0    0.102   0.867     6.729   83.690   54.935
LGA    I    54_B      I    54_B     2.102     0    0.108   1.316     5.460   66.786   56.131
LGA    A    55_B      A    55_B     2.388     0    0.051   0.065     2.796   68.810   66.476
LGA    L    56_B      L    56_B     1.322     0    0.023   0.171     1.641   79.286   84.881
LGA    A    57_B      A    57_B     1.374     0    0.071   0.070     1.478   81.429   81.429
LGA    M    58_B      M    58_B     1.660     0    0.049   0.293     2.590   72.857   67.917
LGA    I    59_B      I    59_B     1.300     0    0.034   0.127     1.912   83.690   80.417
LGA    E    60_B      E    60_B     1.292     0    0.020   0.183     1.305   81.429   84.444
LGA    E    61_B      E    61_B     1.323     0    0.032   1.302     4.053   81.429   65.132
LGA    A    62_B      A    62_B     1.133     0    0.034   0.038     1.193   81.429   81.429
LGA    E    63_B      E    63_B     1.294     0    0.061   0.242     1.964   81.429   77.619
LGA    K    64_B      K    64_B     1.436     4    0.033   0.042     1.436   81.429   45.238
LGA    A    65_B      A    65_B     1.238     0    0.095   0.100     1.484   83.690   83.238
LGA    G    66_B      G    66_B     1.292     0    0.156   0.156     1.355   81.429   81.429
LGA    K    67_B      K    67_B     1.140     4    0.057   0.083     1.347   81.429   45.238
LGA    L    68_B      L    68_B     1.103     0    0.051   0.155     1.320   81.429   83.690
LGA    Q    69_B      Q    69_B     1.629     4    0.038   0.069     2.198   79.286   42.434
LGA    A    70_B      A    70_B     1.213     0    0.060   0.080     1.366   81.429   81.429
LGA    G    71_B      G    71_B     1.127     0    0.080   0.080     1.464   81.429   81.429
LGA    G    72_B      G    72_B     1.157     0    0.041   0.041     1.315   81.429   81.429
LGA    T    73_B      T    73_B     1.180     0    0.036   0.053     1.401   81.429   81.429
LGA    I    74_B      I    74_B     1.091     0    0.027   0.093     1.250   81.429   83.690
LGA    V    75_B      V    75_B     1.053     0    0.026   0.110     1.414   88.214   85.306
LGA    E    76_B      E    76_B     0.814     0    0.030   0.373     0.965   90.476   90.476
LGA    P    77_B      P    77_B     1.073     0    0.056   0.126     1.216   83.690   84.014
LGA    T    78_B      T    78_B     1.189     0    0.131   0.326     1.783   79.286   78.980
LGA    S    79_B      S    79_B     0.907     0    0.694   0.632     2.893   79.881   80.397
LGA    G    80_B      G    80_B     1.982     0    0.037   0.037     1.982   75.000   75.000
LGA    N    81_B      N    81_B     2.123     3    0.076   0.100     2.824   66.786   40.536
LGA    T    82_B      T    82_B     2.231     0    0.054   0.122     2.967   68.810   63.810
LGA    G    83_B      G    83_B     1.004     0    0.024   0.024     1.345   85.952   85.952
LGA    V    84_B      V    84_B     1.154     0    0.022   0.132     1.745   81.429   80.204
LGA    G    85_B      G    85_B     1.712     0    0.039   0.039     1.727   75.000   75.000
LGA    L    86_B      L    86_B     1.518     0    0.032   1.341     2.811   77.143   75.417
LGA    A    87_B      A    87_B     0.887     0    0.029   0.033     1.058   85.952   86.857
LGA    M    88_B      M    88_B     1.372     0    0.061   0.957     2.572   77.143   75.238
LGA    V    89_B      V    89_B     2.032     0    0.037   0.069     2.419   68.810   67.075
LGA    A    90_B      A    90_B     1.687     0    0.058   0.056     2.099   70.833   72.952
LGA    A    91_B      A    91_B     1.342     0    0.024   0.031     1.912   77.143   78.000
LGA    A    92_B      A    92_B     2.248     0    0.094   0.088     2.423   66.786   66.381
LGA    K    93_B      K    93_B     2.486     0    0.078   0.627     2.713   62.857   63.968
LGA    G    94_B      G    94_B     2.273     0    0.124   0.124     2.273   68.810   68.810
LGA    Y    95_B      Y    95_B     1.461     0    0.078   0.163     1.794   77.143   80.000
LGA    H    96_B      H    96_B     1.259     0    0.037   1.029     6.637   81.429   54.667
LGA    L    97_B      L    97_B     0.829     0    0.019   0.100     0.917   90.476   90.476
LGA    V    98_B      V    98_B     1.138     0    0.033   0.058     1.270   81.429   81.429
LGA    I    99_B      I    99_B     0.999     0    0.009   0.660     2.130   83.690   83.869
LGA    T   100_B      T   100_B     1.355     0    0.044   0.069     1.459   81.429   81.429
LGA    M   101_B      M   101_B     1.659     0    0.043   0.234     1.899   72.857   73.929
LGA    P   102_B      P   102_B     2.190     0    0.032   0.235     2.245   64.762   65.918
LGA    E   103_B      E   103_B     2.572     0    0.033   0.385     4.207   57.143   53.333
LGA    T   104_B      T   104_B     2.905     0    0.050   0.055     3.292   57.143   54.082
LGA    M   105_B      M   105_B     2.714     0    0.166   1.046     3.951   51.905   62.917
LGA    S   106_B      S   106_B     3.183     0    0.333   0.785     5.848   53.571   45.476
LGA    V   107_B      V   107_B     3.410     0    0.633   0.664     4.416   48.333   43.537
LGA    E   108_B      E   108_B     4.392     0    0.052   1.375     7.579   43.571   29.259
LGA    R   109_B      R   109_B     2.463     4    0.028   0.651     3.071   67.262   42.165
LGA    R   110_B      R   110_B     1.523     0    0.092   1.129     4.370   72.857   62.424
LGA    K   111_B      K   111_B     2.035     0    0.045   0.464     4.796   70.833   58.042
LGA    L   112_B      L   112_B     1.483     0    0.052   0.235     2.684   81.548   74.226
LGA    M   113_B      M   113_B     0.864     0    0.006   0.246     1.918   88.214   87.143
LGA    Q   114_B      Q   114_B     0.873     0    0.015   0.050     1.814   90.476   82.593
LGA    G   115_B      G   115_B     0.660     0    0.019   0.019     0.836   95.238   95.238
LGA    Y   116_B      Y   116_B     0.434     0    0.074   0.106     1.115   95.238   92.103
LGA    G   117_B      G   117_B     0.595     0    0.045   0.045     1.023   88.214   88.214
LGA    A   118_B      A   118_B     0.744     0    0.013   0.015     1.064   88.214   88.667
LGA    E   119_B      E   119_B     1.367     0    0.044   0.658     2.705   81.429   74.921
LGA    L   120_B      L   120_B     1.376     0    0.019   0.347     1.922   77.143   77.143
LGA    I   121_B      I   121_B     1.682     1    0.031   0.066     1.867   75.000   64.821
LGA    L   122_B      L   122_B     2.074     0    0.026   0.080     2.585   64.881   66.845
LGA    T   123_B      T   123_B     2.616     0    0.061   0.062     2.829   59.048   58.231
LGA    P   124_B      P   124_B     3.375     0    0.019   0.133     3.767   50.000   48.095
LGA    G   125_B      G   125_B     3.579     0    0.038   0.038     3.802   45.000   45.000
LGA    A   126_B      A   126_B     4.500     0    0.051   0.051     4.947   38.690   37.238
LGA    D   127_B      D   127_B     3.065     0    0.038   0.477     4.474   53.810   51.190
LGA    G   128_B      G   128_B     2.641     0    0.050   0.050     2.822   60.952   60.952
LGA    M   129_B      M   129_B     2.007     0    0.066   0.511     2.869   66.786   65.833
LGA    K   130_B      K   130_B     2.222     4    0.037   0.086     2.222   64.762   35.979
LGA    G   131_B      G   131_B     2.273     0    0.011   0.011     2.311   64.762   64.762
LGA    A   132_B      A   132_B     1.680     0    0.022   0.035     1.927   75.000   74.571
LGA    I   133_B      I   133_B     1.316     0    0.084   0.145     1.463   81.429   81.429
LGA    A   134_B      A   134_B     1.884     0    0.031   0.044     2.117   72.857   71.238
LGA    K   135_B      K   135_B     1.837     0    0.012   0.642     2.197   72.857   73.915
LGA    A   136_B      A   136_B     1.383     0    0.041   0.046     1.534   79.286   79.714
LGA    E   137_B      E   137_B     1.369     2    0.058   0.091     1.630   77.143   61.429
LGA    E   138_B      E   138_B     1.724     0    0.030   0.771     4.223   72.857   63.069
LGA    L   139_B      L   139_B     1.536     0    0.029   0.136     1.762   72.857   75.000
LGA    V   140_B      V   140_B     1.570     0    0.128   0.186     1.777   72.857   74.082
LGA    K   141_B      K   141_B     1.676     4    0.024   0.067     1.924   72.857   40.476
LGA    E   142_B      E   142_B     1.431     4    0.081   0.135     1.561   79.286   44.286
LGA    K   143_B      K   143_B     1.306     4    0.047   0.063     1.392   81.429   45.238
LGA    G   144_B      G   144_B     1.595     0    0.057   0.057     1.595   72.857   72.857
LGA    Y   145_B      Y   145_B     1.201     0    0.030   0.089     1.406   81.429   82.937
LGA    F   146_B      F   146_B     0.918     0    0.053   0.169     1.121   88.214   87.186
LGA    M   147_B      M   147_B     0.865     0    0.059   0.110     1.104   88.214   89.345
LGA    P   148_B      P   148_B     0.887     0    0.622   0.695     2.298   81.786   84.218
LGA    M   149_B      M   149_B     3.273     3    0.304   0.344     3.802   61.190   36.012
LGA    Q   150_B      Q   150_B     3.118     4    0.662   0.611     4.946   50.119   25.767
LGA    F   151_B      F   151_B     2.627     0    0.085   1.241    11.277   66.905   29.697
LGA    D   152_B      D   152_B     4.492     3    0.224   0.235     6.646   33.452   18.869
LGA    N   153_B      N   153_B     7.448     3    0.122   0.151     8.485   13.690    7.440
LGA    P   154_B      P   154_B     8.194     0    0.267   0.261    10.512    3.095    2.041
LGA    A   155_B      A   155_B    12.724     0    0.598   0.594    14.645    0.000    0.000
LGA    H   160_B      H   160_B    12.461     5    0.643   0.621    13.329    0.000    0.000
LGA    E   161_B      E   161_B     8.632     0    0.127   0.725     9.868    4.405    6.614
LGA    E   162_B      E   162_B     7.182     0    0.182   1.007     7.934   10.119   10.106
LGA    T   163_B      T   163_B     8.837     0    0.167   1.166    10.418    2.619    2.585
LGA    T   164_B      T   164_B     9.734     0    0.044   0.114    10.791    1.548    0.884
LGA    G   165_B      G   165_B     7.478     0    0.050   0.050     8.162    8.690    8.690
LGA    K   166_B      K   166_B     6.918     4    0.042   0.071     7.649    9.405    5.661
LGA    E   167_B      E   167_B     9.306     0    0.039   0.930    10.105    1.786    1.481
LGA    I   168_B      I   168_B     9.387     0    0.021   0.066    10.040    1.786    1.310
LGA    L   169_B      L   169_B     7.703     0    0.029   1.164     8.593    4.881   12.976
LGA    E   170_B      E   170_B     9.273     0    0.019   0.826    10.557    1.071    1.270
LGA    A   171_B      A   171_B    11.091     0    0.108   0.111    11.936    0.000    0.000
LGA    F   172_B      F   172_B     9.994     0    0.092   0.093    10.147    0.119    0.779
LGA    G   173_B      G   173_B    10.626     0    0.649   0.649    10.626    0.357    0.357
LGA    D   174_B      D   174_B    11.382     0    0.140   0.286    14.624    0.000    0.000
LGA    D   175_B      D   175_B     9.308     0    0.247   0.378    10.126    2.738    1.964
LGA    I   176_B      I   176_B     5.329     0    0.126   0.615     7.192   25.595   25.298
LGA    P   177_B      P   177_B     3.213     0    0.076   0.361     4.066   51.905   49.320
LGA    D   178_B      D   178_B     2.619     0    0.016   0.176     4.244   60.952   54.762
LGA    A   179_B      A   179_B     1.821     0    0.038   0.039     2.097   70.833   71.238
LGA    F   180_B      F   180_B     1.576     0    0.008   0.130     2.128   77.143   73.680
LGA    V   181_B      V   181_B     1.092     0    0.019   0.050     1.332   81.429   84.014
LGA    A   182_B      A   182_B     1.595     0    0.043   0.065     1.920   75.000   74.571
LGA    G   183_B      G   183_B     1.605     0    0.068   0.068     1.605   75.000   75.000
LGA    V   184_B      V   184_B     1.902     0    0.144   1.078     3.673   68.810   64.082
LGA    G   185_B      G   185_B     2.345     0    0.095   0.095     3.728   55.714   55.714
LGA    T   186_B      T   186_B     4.806     0    0.033   0.074     6.252   33.095   27.483
LGA    G   187_B      G   187_B     3.443     0    0.027   0.027     3.788   46.667   46.667
LGA    G   188_B      G   188_B     4.616     0    0.089   0.089     4.616   35.714   35.714
LGA    T   189_B      T   189_B     3.951     0    0.020   0.099     4.790   45.000   40.816
LGA    L   190_B      L   190_B     2.341     0    0.034   0.170     2.748   62.857   66.845
LGA    T   191_B      T   191_B     2.680     0    0.022   0.106     3.531   57.143   54.150
LGA    G   192_B      G   192_B     3.492     0    0.020   0.020     3.492   50.000   50.000
LGA    V   193_B      V   193_B     3.183     0    0.048   0.083     3.374   51.786   51.020
LGA    G   194_B      G   194_B     2.392     0    0.057   0.057     2.596   62.857   62.857
LGA    H   195_B      H   195_B     2.858     0    0.020   0.409     3.421   53.571   55.095
LGA    A   196_B      A   196_B     3.564     0    0.032   0.036     3.910   46.667   46.000
LGA    L   197_B      L   197_B     3.126     0    0.023   0.083     3.615   51.786   51.845
LGA    K   198_B      K   198_B     2.667     0    0.098   0.427     2.726   57.143   67.884
LGA    K   199_B      K   199_B     3.034     2    0.077   0.510     4.323   51.786   36.825
LGA    A   200_B      A   200_B     3.269     0    0.041   0.050     3.483   50.000   50.000
LGA    N   201_B      N   201_B     2.975     0    0.037   0.161     3.927   55.357   51.845
LGA    P   202_B      P   202_B     2.315     0    0.113   0.146     2.785   62.857   61.497
LGA    N   203_B      N   203_B     2.290     0    0.031   1.112     3.282   64.762   61.071
LGA    V   204_B      V   204_B     2.399     0    0.010   0.953     4.058   66.786   57.823
LGA    Q   205_B      Q   205_B     1.794     0    0.023   0.876     3.461   72.857   68.519
LGA    I   206_B      I   206_B     1.696     0    0.032   0.096     2.175   75.000   72.917
LGA    Y   207_B      Y   207_B     1.312     0    0.022   0.082     1.455   81.429   82.183
LGA    A   208_B      A   208_B     1.691     0    0.025   0.031     1.932   75.000   74.571
LGA    L   209_B      L   209_B     1.761     0    0.017   0.249     2.555   70.833   70.952
LGA    E   210_B      E   210_B     2.442     0    0.035   0.351     2.570   62.857   67.513
LGA    P   211_B      P   211_B     2.975     0    0.061   0.302     3.348   57.143   55.102
LGA    A   212_B      A   212_B     3.148     0    0.572   0.519     3.360   53.571   52.857
LGA    P   236_B      P   236_B    14.440     0    0.485   0.726    15.602    0.000    0.000
LGA    K   237_B      K   237_B    14.821     0    0.521   0.989    17.616    0.000    0.000
LGA    V   238_B      V   238_B    14.733     0    0.599   0.896    17.048    0.000    0.000
LGA    L   239_B      L   239_B     8.956     0    0.113   1.408    11.041    2.143    7.143
LGA    D   240_B      D   240_B     7.264     0    0.042   1.092     8.373   18.690   13.095
LGA    T   241_B      T   241_B     3.702     0    0.092   0.116     6.101   49.881   38.503
LGA    D   242_B      D   242_B     2.504     0    0.203   0.165     4.019   60.952   54.762
LGA    V   243_B      V   243_B     1.836     0    0.118   0.217     1.975   72.857   75.374
LGA    Y   244_B      Y   244_B     1.501     0    0.044   1.036     5.328   81.667   64.365
LGA    N   245_B      N   245_B     1.003     0    0.015   0.242     1.504   83.690   81.488
LGA    G   246_B      G   246_B     1.221     0    0.081   0.081     1.221   83.690   83.690
LGA    I   247_B      I   247_B     1.010     0    0.031   0.081     1.270   88.214   84.821
LGA    L   248_B      L   248_B     0.979     0    0.027   0.099     1.654   83.810   87.143
LGA    E   249_B      E   249_B     1.742     0    0.093   0.256     2.772   72.976   71.164
LGA    I   250_B      I   250_B     2.523     0    0.036   0.100     3.001   57.262   63.036
LGA    K   251_B      K   251_B     3.560     2    0.047   0.109     4.336   45.000   33.069
LGA    S   252_B      S   252_B     3.838     0    0.020   0.600     4.879   43.333   40.317
LGA    D   253_B      D   253_B     4.152     0    0.014   0.992     7.121   40.238   29.821
LGA    D   254_B      D   254_B     3.374     0    0.051   0.665     4.669   48.333   45.179
LGA    A   255_B      A   255_B     2.924     0    0.052   0.072     3.110   51.786   51.429
LGA    I   256_B      I   256_B     3.754     0    0.013   0.109     4.573   45.000   40.357
LGA    T   257_B      T   257_B     3.713     0    0.043   0.092     4.127   46.667   44.354
LGA    M   258_B      M   258_B     2.676     0    0.032   0.862     3.581   55.357   57.381
LGA    A   259_B      A   259_B     2.755     0    0.043   0.047     2.945   57.143   57.143
LGA    R   260_B      R   260_B     3.277     0    0.015   1.321     9.517   51.786   31.515
LGA    E   261_B      E   261_B     2.812     0    0.035   0.159     3.459   59.167   54.868
LGA    V   262_B      V   262_B     1.762     0    0.026   0.078     2.127   70.833   72.925
LGA    G   263_B      G   263_B     2.263     0    0.067   0.067     2.284   64.762   64.762
LGA    H   264_B      H   264_B     2.563     0    0.089   0.250     3.667   62.857   55.238
LGA    Q   265_B      Q   265_B     2.162     0    0.025   1.070     4.196   68.810   62.751
LGA    E   266_B      E   266_B     1.388     0    0.054   0.134     1.688   79.286   82.487
LGA    G   267_B      G   267_B     1.377     0    0.026   0.026     1.431   81.429   81.429
LGA    I   268_B      I   268_B     1.378     0    0.039   0.161     1.915   77.143   80.417
LGA    L   269_B      L   269_B     2.625     0    0.029   0.110     3.844   59.048   52.917
LGA    V   270_B      V   270_B     2.761     0    0.030   0.086     3.385   53.571   56.190
LGA    G   271_B      G   271_B     3.476     0    0.031   0.031     3.476   50.000   50.000
LGA    I   272_B      I   272_B     3.357     0    0.019   0.164     4.781   51.786   45.298
LGA    S   273_B      S   273_B     2.817     0    0.093   0.574     3.249   59.167   56.111
LGA    A   274_B      A   274_B     2.052     0    0.033   0.039     2.308   68.810   68.000
LGA    G   275_B      G   275_B     2.205     0    0.035   0.035     2.205   64.762   64.762
LGA    A   276_B      A   276_B     2.258     0    0.036   0.041     2.523   68.810   66.476
LGA    N   277_B      N   277_B     1.635     0    0.016   0.071     2.245   77.143   73.988
LGA    I   278_B      I   278_B     1.342     0    0.043   0.120     1.498   81.429   81.429
LGA    K   279_B      K   279_B     1.740     0    0.041   0.127     2.746   72.857   66.667
LGA    G   280_B      G   280_B     1.194     0    0.017   0.017     1.410   81.429   81.429
LGA    A   281_B      A   281_B     0.789     0    0.019   0.024     1.118   85.952   86.857
LGA    I   282_B      I   282_B     1.460     0    0.022   0.103     2.034   77.143   73.988
LGA    E   283_B      E   283_B     1.757     0    0.081   0.929     2.458   70.833   72.011
LGA    V   284_B      V   284_B     1.396     0    0.030   0.060     1.845   77.143   80.272
LGA    A   285_B      A   285_B     1.771     0    0.024   0.042     2.473   68.810   69.619
LGA    K   286_B      K   286_B     2.570     0    0.029   0.344     4.287   59.048   55.767
LGA    K   287_B      K   287_B     2.672     2    0.075   0.161     3.099   55.357   47.090
LGA    L   288_B      L   288_B     2.928     0    0.035   0.181     3.569   51.905   54.583
LGA    G   289_B      G   289_B     3.409     0    0.022   0.022     3.504   48.333   48.333
LGA    K   290_B      K   290_B     3.570     2    0.040   0.341     5.226   43.333   31.111
LGA    G   291_B      G   291_B     3.904     0    0.063   0.063     3.904   43.333   43.333
LGA    K   292_B      K   292_B     3.296     0    0.035   0.507     4.619   51.786   47.249
LGA    Q   293_B      Q   293_B     2.614     0    0.081   0.684     5.908   59.048   44.868
LGA    V   294_B      V   294_B     1.596     0    0.043   0.072     1.835   75.000   77.755
LGA    I   295_B      I   295_B     1.537     0    0.052   1.086     3.922   77.143   74.583
LGA    T   296_B      T   296_B     1.132     0    0.011   0.129     1.364   81.429   84.014
LGA    V   297_B      V   297_B     1.794     0    0.026   0.084     2.080   72.857   70.544
LGA    A   298_B      A   298_B     2.085     0    0.028   0.041     2.678   64.881   66.476
LGA    P   299_B      P   299_B     3.163     0    0.024   0.138     4.175   46.905   52.449
LGA    D   300_B      D   300_B     4.401     0    0.102   0.247     5.906   43.452   36.250
LGA    G   301_B      G   301_B     3.943     0    0.021   0.021     4.435   38.690   38.690
LGA    G   302_B      G   302_B     4.312     0    0.100   0.100     4.724   34.286   34.286
LGA    D   303_B      D   303_B     4.588     0    0.165   0.619     5.533   28.929   30.952
LGA    R   304_B      R   304_B     4.927     6    0.051   0.065     5.172   28.810   13.333
LGA    Y   305_B      Y   305_B     5.154     0    0.036   0.056     5.387   26.190   31.587
LGA    L   306_B      L   306_B     5.445     0    0.037   0.119     5.864   23.810   25.000
LGA    S   307_B      S   307_B     6.687     0    0.182   0.682     7.819   11.905   11.270
LGA    T   308_B      T   308_B     6.920     0    0.033   0.157     6.920   14.286   13.878
LGA    E   309_B      E   309_B     7.209     3    0.110   0.690     8.611   11.667    6.296
LGA    L   310_B      L   310_B     5.723     0    0.059   0.111     6.395   21.548   26.548
LGA    F   311_B      F   311_B     5.534     0    0.328   0.471     5.811   22.619   28.312
LGA    N   312_B      N   312_B     7.234     0    0.449   1.078    12.142   13.452    7.083
LGA    Y   313_B      Y   313_B     6.446     0    0.616   0.498     8.330   13.095   20.635

# 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):     3.866          3.840                  4.113           58.831   55.394

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  313  281    4.0    234    2.31    65.569    62.248     9.708

LGA_LOCAL      RMSD:   2.310  Number of atoms:  234  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.961  Number of assigned atoms:  281 
Std_ASGN_ATOMS RMSD:   3.866  Standard rmsd on all 281 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.176473 * X  +   0.765122 * Y  +  -0.619230 * Z  +   8.738756
  Y_new =   0.812831 * X  +   0.468078 * Y  +   0.346711 * Z  +   9.193617
  Z_new =   0.555125 * X  +  -0.442144 * Y  +  -0.704518 * Z  +  23.549919 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.784587 -0.588513 -2.581137   [DEG:  102.2493  -33.7193 -147.8883 ]
ZXZ: -2.081214  2.352540  2.243386   [DEG: -119.2448  134.7906  128.5365 ]
 
# END of job
