
#######################################################
#                                                     #
#                        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  306 ( 2259),  selected  279 , name one
# Molecule2: number of CA atoms  281 ( 1997),  selected  279 , 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:   279       8_B - 313_B       4.08     4.08
  LCS_AVERAGE:     99.29

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   119      34_B - 152_B       1.97     4.65
  LONGEST_CONTINUOUS_SEGMENT:   119      35_B - 153_B       1.96     4.79
  LONGEST_CONTINUOUS_SEGMENT:   119      36_B - 154_B       1.96     4.98
  LCS_AVERAGE:     32.23

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    98      51_B - 148_B       0.98     5.78
  LONGEST_CONTINUOUS_SEGMENT:    98      52_B - 149_B       0.99     5.78
  LCS_AVERAGE:     22.80

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  279
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     T     8_B     T     8_B     11   16  279     16   40   95  118  138  163  196  222  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     K     9_B     K     9_B     11   16  279     16   40   95  118  138  165  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     I    10_B     I    10_B     11   16  279      7   32   95  118  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     T    11_B     T    11_B     11   16  279      7   12   95  118  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     N    12_B     N    12_B     11   16  279      7   12   85  116  138  165  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     S    13_B     S    13_B     11   16  279      7    9   85  118  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     I    14_B     I    14_B     11   33  279      7    9   93  118  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     V    15_B     V    15_B     11   33  279     24   66   95  118  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     N    16_B     N    16_B     11   33  279     37   71   95  118  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     L    17_B     L    17_B     11   33  279     37   71   95  118  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     I    18_B     I    18_B     29   33  279      5   50  107  121  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     G    19_B     G    19_B     29   33  279      3    8  105  129  133  139  161  217  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     N    20_B     N    20_B     29   50  279      3   84  114  129  133  139  181  222  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     T    21_B     T    21_B     29   50  279     72   98  114  129  133  155  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     P    22_B     P    22_B     29   50  279     70   98  114  129  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     I    23_B     I    23_B     29   50  279     67   98  114  129  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     V    24_B     V    24_B     29   50  279     72   98  114  129  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     K    25_B     K    25_B     29   50  279     72   98  114  129  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     L    26_B     L    26_B     29   50  279     72   98  114  129  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     N    27_B     N    27_B     29   50  279     58   98  114  129  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     R    28_B     R    28_B     29   50  279     72   98  114  129  135  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     V    29_B     V    29_B     29   50  279     72   98  114  129  133  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     V    30_B     V    30_B     29   50  279     72   98  114  129  133  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     P    31_B     P    31_B     29   50  279     72   98  114  129  133  161  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     E    32_B     E    32_B     29   50  279     56   98  114  129  133  157  198  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     D    33_B     D    33_B     29   50  279     56   98  114  129  133  157  199  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     A    34_B     A    34_B     29  119  279     72   98  114  129  133  164  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     A    35_B     A    35_B     29  119  279     72   98  114  129  133  167  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     D    36_B     D    36_B     29  119  279     72   98  114  129  135  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     V    37_B     V    37_B     29  119  279     72   98  114  129  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     Y    38_B     Y    38_B     29  119  279     72   98  114  129  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     V    39_B     V    39_B     29  119  279     72   98  114  129  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     K    40_B     K    40_B     29  119  279     72   98  114  129  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     L    41_B     L    41_B     29  119  279     72   98  114  129  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     E    42_B     E    42_B     29  119  279     72   98  114  129  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     F    43_B     F    43_B     29  119  279     72   98  114  129  136  166  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     F    44_B     F    44_B     29  119  279     64   98  114  129  134  159  198  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     N    45_B     N    45_B     29  119  279      4   94  114  129  133  146  183  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     P    46_B     P    46_B     29  119  279      4   26  111  127  133  139  170  206  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     G    47_B     G    47_B     33  119  279      4   40   77  109  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     G    48_B     G    48_B     33  119  279      4   11   20   39   96  144  185  219  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     S    49_B     S    49_B     33  119  279      4   35   59   93  135  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     I    50_B     I    50_B     33  119  279      4   37   64   95  135  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     K    51_B     K    51_B     98  119  279     11   37   73  101  135  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     D    52_B     D    52_B     98  119  279     24   70   94  118  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     R    53_B     R    53_B     98  119  279     26   67   95  118  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     I    54_B     I    54_B     98  119  279     15   53   88  118  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     A    55_B     A    55_B     98  119  279     11   57   94  118  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     L    56_B     L    56_B     98  119  279     37   71   95  118  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     A    57_B     A    57_B     98  119  279     25   67   95  118  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     M    58_B     M    58_B     98  119  279     21   64   95  118  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     I    59_B     I    59_B     98  119  279     37   71   95  118  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     E    60_B     E    60_B     98  119  279     37   71   95  118  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     E    61_B     E    61_B     98  119  279     25   71   95  118  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     A    62_B     A    62_B     98  119  279     25   71   95  118  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     E    63_B     E    63_B     98  119  279     37   71   95  118  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     K    64_B     K    64_B     98  119  279     32   71   95  118  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     A    65_B     A    65_B     98  119  279     25   71   95  118  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     G    66_B     G    66_B     98  119  279     37   71   95  118  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     K    67_B     K    67_B     98  119  279     26   71   95  118  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     L    68_B     L    68_B     98  119  279     34   71   95  118  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     Q    69_B     Q    69_B     98  119  279     34   71   95  118  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     A    70_B     A    70_B     98  119  279     12   69   95  118  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     G    71_B     G    71_B     98  119  279      8   69   95  118  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     G    72_B     G    72_B     98  119  279     41   71   95  118  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     T    73_B     T    73_B     98  119  279     41   71   95  118  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     I    74_B     I    74_B     98  119  279     41   71   95  118  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     V    75_B     V    75_B     98  119  279     41   71   95  118  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     E    76_B     E    76_B     98  119  279     41   71   95  118  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     P    77_B     P    77_B     98  119  279     41   71   95  118  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     T    78_B     T    78_B     98  119  279     37   71   95  118  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     S    79_B     S    79_B     98  119  279     30   71   95  118  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     G    80_B     G    80_B     98  119  279      4   34   88  117  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     N    81_B     N    81_B     98  119  279     18   56   95  118  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     T    82_B     T    82_B     98  119  279     17   62   92  117  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     G    83_B     G    83_B     98  119  279     23   68   95  118  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     V    84_B     V    84_B     98  119  279     24   71   95  118  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     G    85_B     G    85_B     98  119  279     39   71   95  118  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     L    86_B     L    86_B     98  119  279     39   71   95  118  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     A    87_B     A    87_B     98  119  279     40   71   95  118  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     M    88_B     M    88_B     98  119  279     39   71   95  118  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     V    89_B     V    89_B     98  119  279     41   71   95  118  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     A    90_B     A    90_B     98  119  279     41   71   95  118  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     A    91_B     A    91_B     98  119  279     41   71   95  118  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     A    92_B     A    92_B     98  119  279     40   71   95  118  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     K    93_B     K    93_B     98  119  279     41   71   95  118  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     G    94_B     G    94_B     98  119  279     41   71   95  118  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     Y    95_B     Y    95_B     98  119  279     41   71   95  118  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     H    96_B     H    96_B     98  119  279     41   71   95  118  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     L    97_B     L    97_B     98  119  279     41   71   95  118  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     V    98_B     V    98_B     98  119  279     41   71   95  118  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     I    99_B     I    99_B     98  119  279     41   71   95  118  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     T   100_B     T   100_B     98  119  279     41   71   95  118  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     M   101_B     M   101_B     98  119  279     41   71   95  118  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     P   102_B     P   102_B     98  119  279     41   71   95  118  138  166  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     E   103_B     E   103_B     98  119  279     40   71   95  118  138  166  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     T   104_B     T   104_B     98  119  279     41   71   95  118  138  164  196  222  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     M   105_B     M   105_B     98  119  279     14   71   95  118  138  166  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     S   106_B     S   106_B     98  119  279      3    3   68  118  138  166  196  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     V   107_B     V   107_B     98  119  279      3   52   89  118  138  167  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     E   108_B     E   108_B     98  119  279     17   60   76  116  134  157  193  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     R   109_B     R   109_B     98  119  279     17   65   95  118  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     R   110_B     R   110_B     98  119  279     37   71   95  118  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     K   111_B     K   111_B     98  119  279     41   71   95  118  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     L   112_B     L   112_B     98  119  279     41   71   95  118  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     M   113_B     M   113_B     98  119  279     41   71   95  118  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     Q   114_B     Q   114_B     98  119  279     41   71   95  118  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     G   115_B     G   115_B     98  119  279     41   71   95  118  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     Y   116_B     Y   116_B     98  119  279     40   71   95  118  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     G   117_B     G   117_B     98  119  279     40   71   95  118  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     A   118_B     A   118_B     98  119  279     41   71   95  118  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     E   119_B     E   119_B     98  119  279     41   71   95  118  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     L   120_B     L   120_B     98  119  279     41   71   95  118  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     I   121_B     I   121_B     98  119  279     41   71   95  118  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     L   122_B     L   122_B     98  119  279     40   71   95  118  138  167  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     T   123_B     T   123_B     98  119  279     36   71   95  118  138  166  200  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     P   124_B     P   124_B     98  119  279     17   68   94  116  134  155  185  212  229  243  245  250  257  261  268  270  274  275  275  276 
LCS_GDT     G   125_B     G   125_B     98  119  279     11   67   94  116  130  151  181  206  229  243  245  251  257  262  268  270  274  275  275  276 
LCS_GDT     A   126_B     A   126_B     98  119  279     17   54   89  111  125  144  166  193  220  236  244  250  256  260  267  270  274  275  275  276 
LCS_GDT     D   127_B     D   127_B     98  119  279     29   71   94  116  134  156  185  212  232  243  245  252  257  262  268  270  274  275  275  276 
LCS_GDT     G   128_B     G   128_B     98  119  279     29   69   94  116  134  158  188  219  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     M   129_B     M   129_B     98  119  279     41   71   95  118  138  166  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     K   130_B     K   130_B     98  119  279     41   71   95  118  138  166  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     G   131_B     G   131_B     98  119  279     41   71   95  118  138  166  198  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     A   132_B     A   132_B     98  119  279     41   71   95  118  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     I   133_B     I   133_B     98  119  279     41   71   95  118  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     A   134_B     A   134_B     98  119  279     41   71   95  118  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     K   135_B     K   135_B     98  119  279     41   71   95  118  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     A   136_B     A   136_B     98  119  279     41   71   95  118  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     E   137_B     E   137_B     98  119  279     41   71   95  118  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     E   138_B     E   138_B     98  119  279     41   71   95  118  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     L   139_B     L   139_B     98  119  279     41   71   95  118  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     V   140_B     V   140_B     98  119  279     41   71   95  118  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     K   141_B     K   141_B     98  119  279     40   71   95  118  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     E   142_B     E   142_B     98  119  279     40   71   95  118  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     K   143_B     K   143_B     98  119  279     24   71   95  118  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     G   144_B     G   144_B     98  119  279     20   71   95  118  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     Y   145_B     Y   145_B     98  119  279     19   71   95  118  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     F   146_B     F   146_B     98  119  279     40   71   95  118  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     M   147_B     M   147_B     98  119  279     40   71   95  118  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     P   148_B     P   148_B     98  119  279     19   71   95  118  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     M   149_B     M   149_B     98  119  279      3   20   51   97  134  164  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     Q   150_B     Q   150_B     97  119  279      6   35   82  105  132  166  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     F   151_B     F   151_B      6  119  279      3    9   44   91  135  167  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     D   152_B     D   152_B      6  119  279      4    6    6   71  104  154  195  222  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     N   153_B     N   153_B      6  119  279      4    6   31   49   67   98  129  148  195  212  241  252  258  262  268  270  274  275  275  276 
LCS_GDT     P   154_B     P   154_B      6  119  279      4   12   32   48   56   77  117  132  190  212  236  250  258  262  268  270  274  275  275  276 
LCS_GDT     A   155_B     A   155_B      6  115  279      4    6    6    7    8   11   50   57   74   87   98  122  152  179  213  236  259  275  275  276 
LCS_GDT     H   160_B     H   160_B      5   18  279      3    4    5   10   18   22   25   31   33   43   70   80  138  180  241  257  262  266  271  276 
LCS_GDT     E   161_B     E   161_B      5   18  279      3    4    5   15   21   31   70  103  155  194  224  242  252  262  268  270  274  275  275  276 
LCS_GDT     E   162_B     E   162_B     12   18  279      3    7   15   26   50   75  111  140  182  231  244  252  258  262  268  270  274  275  275  276 
LCS_GDT     T   163_B     T   163_B     12   18  279      8   11   15   19   36   57   82  103  151  184  215  243  252  262  268  270  274  275  275  276 
LCS_GDT     T   164_B     T   164_B     12   18  279      8   11   15   17   21   29   46   68  112  157  203  225  244  252  267  270  274  275  275  276 
LCS_GDT     G   165_B     G   165_B     12   18  279      8   11   15   25   41   63   98  152  193  225  244  252  258  262  268  270  274  275  275  276 
LCS_GDT     K   166_B     K   166_B     12   18  279      8   11   18   44   56   95  132  156  201  234  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     E   167_B     E   167_B     12   18  279      8   14   24   46   53   75   99  139  146  164  199  231  249  262  268  270  274  275  275  276 
LCS_GDT     I   168_B     I   168_B     12   45  279      8   11   15   21   46   68  104  133  146  152  173  225  244  259  268  270  274  275  275  276 
LCS_GDT     L   169_B     L   169_B     12   45  279      8   14   44   96  126  138  140  145  159  194  236  252  258  262  268  270  274  275  275  276 
LCS_GDT     E   170_B     E   170_B     12   45  279      8   16   46   90  121  136  140  143  148  161  179  213  242  256  268  270  274  275  275  276 
LCS_GDT     A   171_B     A   171_B     12   45  279      6   11   15   34   65   97  121  136  146  150  155  168  185  225  256  263  274  275  275  276 
LCS_GDT     F   172_B     F   172_B     12   45  279      6   11   15   24   65   98  121  139  146  150  155  169  207  245  256  270  274  275  275  276 
LCS_GDT     G   173_B     G   173_B     12   45  279      7   11   19   39   49   92  132  138  143  150  154  163  183  199  241  263  274  275  275  276 
LCS_GDT     D   174_B     D   174_B     12   45  279      3    7   19   39   52   92  132  138  145  150  155  164  183  201  241  258  274  275  275  276 
LCS_GDT     D   175_B     D   175_B     12   45  279      3   11   19   39   66  109  132  142  146  152  166  198  242  256  268  270  274  275  275  276 
LCS_GDT     I   176_B     I   176_B     37   45  279     22   90  110  129  133  139  149  193  233  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     P   177_B     P   177_B     37   45  279     65   96  114  129  133  164  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     D   178_B     D   178_B     37   45  279     72   98  114  129  133  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     A   179_B     A   179_B     37   45  279     72   98  114  129  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     F   180_B     F   180_B     37   45  279     72   98  114  129  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     V   181_B     V   181_B     37   45  279     72   98  114  129  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     A   182_B     A   182_B     37   45  279     34   98  114  129  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     G   183_B     G   183_B     37   45  279     23   89  114  129  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     V   184_B     V   184_B     37   45  279     11   70  111  129  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     G   185_B     G   185_B     37   45  279      5   64   94  116  134  166  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     T   186_B     T   186_B     37   45  279      5   27   58   99  126  139  151  209  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     G   187_B     G   187_B     37   45  279     14   73  113  129  134  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     G   188_B     G   188_B     37   45  279     25   65   89  115  132  150  195  222  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     T   189_B     T   189_B     37   45  279      6   33   55  105  128  159  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     L   190_B     L   190_B     37   45  279     15   68  114  129  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     T   191_B     T   191_B     37   45  279     18   88  114  129  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     G   192_B     G   192_B     37   45  279     18   68  113  129  133  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     V   193_B     V   193_B     37   45  279     15   88  114  129  136  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     G   194_B     G   194_B     37   45  279     18   79  114  129  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     H   195_B     H   195_B     37   45  279     13   82  114  129  136  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     A   196_B     A   196_B     37   45  279     23   98  114  129  133  166  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     L   197_B     L   197_B     37   45  279     36   98  114  129  133  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     K   198_B     K   198_B     37   45  279     15   98  114  129  133  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     K   199_B     K   199_B     37   45  279     15   93  114  129  133  166  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     A   200_B     A   200_B     37   90  279     23   98  114  129  133  167  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     N   201_B     N   201_B     37   90  279     30   98  114  129  133  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     P   202_B     P   202_B     37   90  279     16   98  114  129  133  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     N   203_B     N   203_B     37   90  279     48   98  114  129  135  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     V   204_B     V   204_B     37   90  279     70   98  114  129  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     Q   205_B     Q   205_B     37   90  279     72   98  114  129  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     I   206_B     I   206_B     37   90  279     72   98  114  129  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     Y   207_B     Y   207_B     37   90  279     72   98  114  129  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     A   208_B     A   208_B     37   90  279     66   98  114  129  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     L   209_B     L   209_B     37   90  279     39   98  114  129  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     E   210_B     E   210_B     37   90  279     25   96  114  129  133  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     P   211_B     P   211_B     37   90  279     25   77  114  129  133  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     A   212_B     A   212_B     37   90  279     25   77  111  129  133  164  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     P   236_B     P   236_B      3   90  279      0    3    3    5   11   14   42   62  111  142  149  151  155  160  175  185  231  239  254  264 
LCS_GDT     K   237_B     K   237_B      3   90  279      0    3    3    5    9   18   39   54   63  131  138  149  152  157  188  221  231  239  254  264 
LCS_GDT     V   238_B     V   238_B      5   90  279      3    5    7   12   17   25   39   54   64   81   97  131  148  155  173  183  231  239  254  264 
LCS_GDT     L   239_B     L   239_B      6   90  279      4    7   14   29   58  118  138  142  147  162  215  226  231  252  268  270  274  275  275  276 
LCS_GDT     D   240_B     D   240_B     73   90  279      9   27   85  110  130  138  146  172  195  222  243  252  258  262  268  270  274  275  275  276 
LCS_GDT     T   241_B     T   241_B     73   90  279      8   59  106  129  134  165  199  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     D   242_B     D   242_B     73   90  279     59   98  114  129  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     V   243_B     V   243_B     73   90  279     31   95  114  129  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     Y   244_B     Y   244_B     73   90  279     69   98  114  129  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     N   245_B     N   245_B     73   90  279     64   98  114  129  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     G   246_B     G   246_B     73   90  279     61   98  114  129  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     I   247_B     I   247_B     73   90  279     53   96  114  129  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     L   248_B     L   248_B     73   90  279     53   98  114  129  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     E   249_B     E   249_B     73   90  279     26   94  114  129  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     I   250_B     I   250_B     73   90  279     39   98  114  129  133  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     K   251_B     K   251_B     73   90  279     53   98  114  129  133  155  193  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     S   252_B     S   252_B     73   90  279     53   98  114  129  133  143  177  217  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     D   253_B     D   253_B     73   90  279     72   98  114  129  133  141  177  214  236  242  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     D   254_B     D   254_B     73   90  279     72   98  114  129  133  146  193  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     A   255_B     A   255_B     73   90  279     72   98  114  129  133  161  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     I   256_B     I   256_B     73   90  279     72   98  114  129  133  141  183  217  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     T   257_B     T   257_B     73   90  279     72   98  114  129  133  146  184  219  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     M   258_B     M   258_B     73   90  279     72   98  114  129  133  163  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     A   259_B     A   259_B     73   90  279     72   98  114  129  133  162  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     R   260_B     R   260_B     73   90  279     72   98  114  129  133  146  194  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     E   261_B     E   261_B     73   90  279     72   98  114  129  133  161  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     V   262_B     V   262_B     73   90  279     72   98  114  129  137  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     G   263_B     G   263_B     73   90  279     72   98  114  129  133  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     H   264_B     H   264_B     73   90  279     72   98  114  129  133  159  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     Q   265_B     Q   265_B     73   90  279     72   98  114  129  133  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     E   266_B     E   266_B     73   90  279     72   98  114  129  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     G   267_B     G   267_B     73   90  279     72   98  114  129  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     I   268_B     I   268_B     73   90  279     72   98  114  129  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     L   269_B     L   269_B     73   90  279     72   98  114  129  133  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     V   270_B     V   270_B     73   90  279     72   98  114  129  134  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     G   271_B     G   271_B     73   90  279     72   98  114  129  133  164  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     I   272_B     I   272_B     73   90  279     72   98  114  129  133  146  198  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     S   273_B     S   273_B     73   90  279     72   98  114  129  133  166  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     A   274_B     A   274_B     73   90  279     72   98  114  129  134  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     G   275_B     G   275_B     73   90  279     72   98  114  129  133  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     A   276_B     A   276_B     73   90  279     72   98  114  129  133  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     N   277_B     N   277_B     73   90  279     72   98  114  129  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     I   278_B     I   278_B     73   90  279     72   98  114  129  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     K   279_B     K   279_B     73   90  279     72   98  114  129  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     G   280_B     G   280_B     73   90  279     72   98  114  129  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     A   281_B     A   281_B     73   90  279     72   98  114  129  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     I   282_B     I   282_B     73   90  279     72   98  114  129  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     E   283_B     E   283_B     73   90  279     72   98  114  129  136  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     V   284_B     V   284_B     73   90  279     72   98  114  129  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     A   285_B     A   285_B     73   90  279     72   98  114  129  137  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     K   286_B     K   286_B     73   90  279     72   98  114  129  133  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     K   287_B     K   287_B     73   90  279     72   98  114  129  133  167  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     L   288_B     L   288_B     73   90  279     72   98  114  129  133  167  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     G   289_B     G   289_B     73   90  279     72   98  114  129  133  167  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     K   290_B     K   290_B     73   90  279     72   98  114  129  133  146  199  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     G   291_B     G   291_B     73   90  279     18   64  110  129  133  139  163  199  233  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     K   292_B     K   292_B     73   90  279     65   98  114  129  133  164  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     Q   293_B     Q   293_B     73   90  279     72   98  114  129  133  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     V   294_B     V   294_B     73   90  279     72   98  114  129  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     I   295_B     I   295_B     73   90  279     72   98  114  129  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     T   296_B     T   296_B     73   90  279     72   98  114  129  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     V   297_B     V   297_B     73   90  279     72   98  114  129  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     A   298_B     A   298_B     73   90  279     72   98  114  129  138  168  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     P   299_B     P   299_B     73   90  279     72   98  114  129  134  165  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     D   300_B     D   300_B     73   90  279     72   98  114  129  133  154  194  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     G   301_B     G   301_B     73   90  279     72   98  114  129  133  165  201  223  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     G   302_B     G   302_B     73   90  279      4   96  114  129  133  139  183  217  237  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     D   303_B     D   303_B     73   90  279     49   94  113  129  133  139  144  163  205  233  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     R   304_B     R   304_B     73   90  279     49   96  114  129  133  139  144  163  191  233  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     Y   305_B     Y   305_B     73   90  279     49   96  114  129  133  139  144  163  196  233  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     L   306_B     L   306_B     73   90  279     42   94  110  129  133  139  142  152  174  205  242  249  258  262  268  270  274  275  275  276 
LCS_GDT     S   307_B     S   307_B     73   90  279     16   94  110  129  133  139  142  152  170  189  224  248  258  262  268  270  274  275  275  276 
LCS_GDT     T   308_B     T   308_B     73   90  279     16   94  109  129  133  139  142  152  171  192  228  248  258  262  268  270  274  275  275  276 
LCS_GDT     E   309_B     E   309_B     73   90  279     12   94  108  129  133  139  142  152  171  194  228  248  258  262  268  270  274  275  275  276 
LCS_GDT     L   310_B     L   310_B     73   90  279     21   94  114  129  133  139  144  173  205  233  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     F   311_B     F   311_B     73   90  279      3    3   16   98  133  139  151  200  236  243  245  252  258  262  268  270  274  275  275  276 
LCS_GDT     N   312_B     N   312_B     73   90  279      3   94  110  129  133  139  143  158  177  221  242  249  258  262  268  270  274  275  275  276 
LCS_GDT     Y   313_B     Y   313_B     73   78  279      3    3    3   33   70  119  138  152  181  203  228  249  258  262  268  270  274  275  275  276 
LCS_AVERAGE  LCS_A:  51.44  (  22.80   32.23   99.29 )

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     72     98    114    129    138    168    201    223    237    243    245    252    258    262    268    270    274    275    275    276 
GDT PERCENT_AT  25.62  34.88  40.57  45.91  49.11  59.79  71.53  79.36  84.34  86.48  87.19  89.68  91.81  93.24  95.37  96.09  97.51  97.86  97.86  98.22
GDT RMS_LOCAL    0.30   0.53   0.71   0.90   1.49   1.96   2.25   2.47   2.63   2.71   2.76   2.96   3.15   3.25   3.45   3.50   3.70   3.76   3.76   3.82
GDT RMS_ALL_AT   7.11   6.72   6.65   6.85   4.62   4.23   4.20   4.18   4.16   4.16   4.16   4.13   4.12   4.11   4.10   4.10   4.09   4.09   4.09   4.09

# Checking swapping
#   possible swapping detected:  Y    38_B      Y    38_B
#   possible swapping detected:  E    42_B      E    42_B
#   possible swapping detected:  E    76_B      E    76_B
#   possible swapping detected:  E   103_B      E   103_B
#   possible swapping detected:  E   108_B      E   108_B
#   possible swapping detected:  Y   116_B      Y   116_B
#   possible swapping detected:  E   119_B      E   119_B
#   possible swapping detected:  E   138_B      E   138_B
#   possible swapping detected:  E   161_B      E   161_B
#   possible swapping detected:  E   170_B      E   170_B
#   possible swapping detected:  Y   207_B      Y   207_B
#   possible swapping detected:  D   240_B      D   240_B
#   possible swapping detected:  D   242_B      D   242_B
#   possible swapping detected:  E   249_B      E   249_B
#   possible swapping detected:  D   253_B      D   253_B
#   possible swapping detected:  D   254_B      D   254_B
#   possible swapping detected:  E   261_B      E   261_B
#   possible swapping detected:  E   266_B      E   266_B
#   possible swapping detected:  D   300_B      D   300_B
#   possible swapping detected:  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    T     8_B      T     8_B     3.841     0    0.031   0.074     4.348   41.786   44.354
LGA    K     9_B      K     9_B     3.633     4    0.009   0.094     3.830   48.452   26.349
LGA    I    10_B      I    10_B     2.667     0    0.048   0.222     3.441   53.571   56.310
LGA    T    11_B      T    11_B     2.853     0    0.052   1.077     3.176   59.048   57.211
LGA    N    12_B      N    12_B     3.191     0    0.142   1.130     4.959   51.786   45.298
LGA    S    13_B      S    13_B     2.486     0    0.040   0.072     2.782   64.881   63.571
LGA    I    14_B      I    14_B     1.628     0    0.060   1.285     4.945   79.405   67.976
LGA    V    15_B      V    15_B     0.833     0    0.058   0.325     1.578   83.690   81.565
LGA    N    16_B      N    16_B     2.006     0    0.064   0.153     3.230   64.881   63.036
LGA    L    17_B      L    17_B     2.173     0    0.115   0.175     2.709   66.786   64.881
LGA    I    18_B      I    18_B     2.426     0    0.105   0.156     3.129   59.167   64.107
LGA    G    19_B      G    19_B     4.752     0    0.697   0.697     5.137   33.095   33.095
LGA    N    20_B      N    20_B     4.494     0    0.063   0.178     5.702   40.476   36.131
LGA    T    21_B      T    21_B     3.791     0    0.129   1.037     5.216   43.452   40.068
LGA    P    22_B      P    22_B     2.485     0    0.034   0.346     2.972   62.857   62.653
LGA    I    23_B      I    23_B     1.875     0    0.062   0.094     2.881   70.833   67.857
LGA    V    24_B      V    24_B     1.345     0    0.127   1.058     3.104   81.429   76.939
LGA    K    25_B      K    25_B     1.492     0    0.068   0.138     3.183   79.286   67.884
LGA    L    26_B      L    26_B     1.562     0    0.306   0.375     3.306   67.262   74.345
LGA    N    27_B      N    27_B     1.931     0    0.070   0.297     2.888   69.048   68.929
LGA    R    28_B      R    28_B     2.441     0    0.064   0.515     3.228   59.167   59.957
LGA    V    29_B      V    29_B     2.698     0    0.052   0.078     2.907   57.143   59.388
LGA    V    30_B      V    30_B     2.698     0    0.017   1.367     3.976   53.571   53.197
LGA    P    31_B      P    31_B     3.759     0    0.046   0.060     3.886   45.000   45.238
LGA    E    32_B      E    32_B     4.204     4    0.040   0.068     4.554   37.143   20.000
LGA    D    33_B      D    33_B     4.288     0    0.047   0.677     4.591   37.143   39.702
LGA    A    34_B      A    34_B     3.628     0    0.039   0.059     3.867   43.333   44.667
LGA    A    35_B      A    35_B     3.101     0    0.030   0.076     3.339   55.476   55.810
LGA    D    36_B      D    36_B     2.377     0    0.046   0.126     3.395   66.905   59.345
LGA    V    37_B      V    37_B     1.219     0    0.059   0.102     1.652   79.286   81.497
LGA    Y    38_B      Y    38_B     1.244     0    0.015   0.250     3.582   83.690   66.230
LGA    V    39_B      V    39_B     1.146     0    0.043   0.105     1.494   81.429   82.721
LGA    K    40_B      K    40_B     1.994     0    0.032   0.597     4.677   68.810   57.989
LGA    L    41_B      L    41_B     2.206     0    0.042   0.079     2.736   60.952   65.893
LGA    E    42_B      E    42_B     3.065     0    0.026   1.052     6.709   51.786   42.593
LGA    F    43_B      F    43_B     3.396     0    0.020   0.279     4.055   46.667   47.749
LGA    F    44_B      F    44_B     3.805     0    0.172   0.713     5.185   37.500   45.714
LGA    N    45_B      N    45_B     4.210     0    0.093   1.061     5.267   43.690   38.333
LGA    P    46_B      P    46_B     4.903     0    0.050   0.240     7.217   36.071   27.551
LGA    G    47_B      G    47_B     2.086     0    0.196   0.196     5.689   52.738   52.738
LGA    G    48_B      G    48_B     4.068     0    0.081   0.081     5.238   40.952   40.952
LGA    S    49_B      S    49_B     2.708     0    0.101   0.546     2.914   57.143   59.762
LGA    I    50_B      I    50_B     2.751     0    0.153   1.113     4.190   59.048   57.500
LGA    K    51_B      K    51_B     2.828     2    0.148   0.792     3.203   57.143   44.497
LGA    D    52_B      D    52_B     2.415     0    0.054   0.229     4.080   64.881   54.286
LGA    R    53_B      R    53_B     0.884     0    0.071   1.074     4.488   83.690   80.996
LGA    I    54_B      I    54_B     1.826     0    0.023   0.182     3.082   72.857   66.012
LGA    A    55_B      A    55_B     2.070     0    0.014   0.040     2.455   70.833   69.619
LGA    L    56_B      L    56_B     1.313     0    0.041   0.158     1.522   79.286   82.619
LGA    A    57_B      A    57_B     1.235     0    0.079   0.084     1.279   81.429   81.429
LGA    M    58_B      M    58_B     1.525     0    0.034   0.577     2.818   79.286   74.167
LGA    I    59_B      I    59_B     1.234     0    0.029   0.102     1.937   83.690   80.417
LGA    E    60_B      E    60_B     1.251     0    0.013   0.151     1.662   81.429   80.476
LGA    E    61_B      E    61_B     1.321     0    0.037   0.958     3.403   79.286   71.640
LGA    A    62_B      A    62_B     1.417     0    0.055   0.052     1.723   79.286   79.714
LGA    E    63_B      E    63_B     1.545     0    0.041   0.349     1.747   75.000   76.667
LGA    K    64_B      K    64_B     1.758     4    0.057   0.060     1.917   72.857   40.476
LGA    A    65_B      A    65_B     1.792     0    0.098   0.110     2.161   72.857   71.238
LGA    G    66_B      G    66_B     1.886     0    0.166   0.166     2.056   70.833   70.833
LGA    K    67_B      K    67_B     1.878     4    0.115   0.126     2.184   72.857   39.577
LGA    L    68_B      L    68_B     1.407     0    0.081   1.397     2.977   75.000   73.095
LGA    Q    69_B      Q    69_B     2.238     4    0.069   0.118     2.738   66.786   36.032
LGA    A    70_B      A    70_B     2.430     0    0.665   0.621     3.998   57.500   57.429
LGA    G    71_B      G    71_B     2.723     0    0.061   0.061     2.723   60.952   60.952
LGA    G    72_B      G    72_B     2.293     0    0.060   0.060     2.322   68.810   68.810
LGA    T    73_B      T    73_B     1.426     0    0.063   0.070     1.929   79.286   77.755
LGA    I    74_B      I    74_B     0.870     0    0.017   0.117     1.167   88.214   89.345
LGA    V    75_B      V    75_B     1.091     0    0.094   0.998     3.344   83.690   79.524
LGA    E    76_B      E    76_B     1.080     0    0.038   1.100     5.424   81.429   69.101
LGA    P    77_B      P    77_B     1.574     0    0.197   0.264     1.996   75.000   75.306
LGA    T    78_B      T    78_B     1.556     0    0.214   0.471     2.843   68.929   69.456
LGA    S    79_B      S    79_B     1.228     0    0.695   0.643     3.028   73.571   74.762
LGA    G    80_B      G    80_B     2.272     0    0.045   0.045     2.272   70.833   70.833
LGA    N    81_B      N    81_B     1.869     3    0.082   0.108     2.425   70.833   43.512
LGA    T    82_B      T    82_B     2.183     0    0.063   0.159     2.870   68.810   63.810
LGA    G    83_B      G    83_B     1.135     0    0.050   0.050     1.384   81.429   81.429
LGA    V    84_B      V    84_B     1.321     0    0.014   0.143     1.846   81.429   77.755
LGA    G    85_B      G    85_B     1.769     0    0.078   0.078     1.769   72.857   72.857
LGA    L    86_B      L    86_B     1.323     0    0.025   0.179     1.664   81.429   80.357
LGA    A    87_B      A    87_B     1.086     0    0.066   0.062     1.181   81.429   83.238
LGA    M    88_B      M    88_B     1.575     0    0.548   0.835     3.541   77.143   67.440
LGA    V    89_B      V    89_B     2.049     0    0.042   0.115     2.720   68.810   64.898
LGA    A    90_B      A    90_B     1.442     0    0.037   0.051     1.775   77.143   78.000
LGA    A    91_B      A    91_B     1.260     0    0.017   0.021     1.892   77.143   78.000
LGA    A    92_B      A    92_B     2.282     0    0.077   0.073     2.552   64.881   64.857
LGA    K    93_B      K    93_B     2.525     0    0.078   0.831     2.903   59.048   65.238
LGA    G    94_B      G    94_B     2.236     0    0.044   0.044     2.236   64.762   64.762
LGA    Y    95_B      Y    95_B     1.460     0    0.054   0.083     1.621   77.143   77.857
LGA    H    96_B      H    96_B     1.240     0    0.037   1.430     7.067   81.429   51.286
LGA    L    97_B      L    97_B     0.818     0    0.029   0.133     1.049   85.952   90.595
LGA    V    98_B      V    98_B     1.342     0    0.057   0.066     1.601   81.429   80.204
LGA    I    99_B      I    99_B     1.213     0    0.016   0.123     1.882   77.143   81.548
LGA    T   100_B      T   100_B     1.788     0    0.023   0.062     1.908   72.857   72.857
LGA    M   101_B      M   101_B     2.226     0    0.028   1.060     2.736   60.952   62.976
LGA    P   102_B      P   102_B     3.178     0    0.021   0.237     3.498   53.571   53.061
LGA    E   103_B      E   103_B     3.415     0    0.028   0.141     5.286   50.000   39.259
LGA    T   104_B      T   104_B     3.788     0    0.034   0.101     4.530   43.333   39.048
LGA    M   105_B      M   105_B     3.338     0    0.084   0.854     5.942   45.119   37.976
LGA    S   106_B      S   106_B     3.676     0    0.364   0.775     7.148   46.667   37.143
LGA    V   107_B      V   107_B     3.228     0    0.664   1.362     5.765   48.333   41.361
LGA    E   108_B      E   108_B     4.012     0    0.058   0.935     6.294   43.571   34.392
LGA    R   109_B      R   109_B     1.820     4    0.059   0.672     2.431   77.381   48.788
LGA    R   110_B      R   110_B     1.397     0    0.100   0.894     4.292   77.143   65.455
LGA    K   111_B      K   111_B     1.909     0    0.026   0.893     6.813   75.000   56.296
LGA    L   112_B      L   112_B     1.215     0    0.037   0.230     2.248   85.952   80.536
LGA    M   113_B      M   113_B     0.812     0    0.015   0.262     1.452   90.476   89.345
LGA    Q   114_B      Q   114_B     0.934     0    0.018   0.270     2.003   90.476   81.693
LGA    G   115_B      G   115_B     0.787     0    0.064   0.064     0.861   90.476   90.476
LGA    Y   116_B      Y   116_B     0.587     0    0.037   0.257     1.987   92.857   83.889
LGA    G   117_B      G   117_B     0.559     0    0.068   0.068     1.020   88.214   88.214
LGA    A   118_B      A   118_B     0.915     0    0.024   0.029     1.293   85.952   86.857
LGA    E   119_B      E   119_B     1.595     0    0.034   0.712     2.857   75.000   71.164
LGA    L   120_B      L   120_B     1.760     0    0.019   0.342     2.574   66.905   69.940
LGA    I   121_B      I   121_B     2.553     1    0.079   0.075     2.804   59.048   50.952
LGA    L   122_B      L   122_B     2.880     0    0.074   0.128     3.504   53.571   51.845
LGA    T   123_B      T   123_B     3.493     0    0.031   0.100     3.882   46.667   48.095
LGA    P   124_B      P   124_B     4.786     0    0.029   0.129     5.261   32.857   30.748
LGA    G   125_B      G   125_B     5.094     0    0.055   0.055     5.382   27.500   27.500
LGA    A   126_B      A   126_B     6.035     0    0.030   0.043     6.314   20.357   19.714
LGA    D   127_B      D   127_B     4.732     0    0.118   0.350     5.651   32.976   31.667
LGA    G   128_B      G   128_B     4.327     0    0.013   0.013     4.513   38.810   38.810
LGA    M   129_B      M   129_B     3.268     0    0.069   1.005     5.674   50.119   43.512
LGA    K   130_B      K   130_B     3.339     4    0.048   0.084     3.464   50.000   27.778
LGA    G   131_B      G   131_B     3.580     0    0.080   0.080     3.580   46.667   46.667
LGA    A   132_B      A   132_B     2.653     0    0.027   0.034     3.047   59.167   58.762
LGA    I   133_B      I   133_B     2.066     0    0.065   0.112     2.506   66.786   65.833
LGA    A   134_B      A   134_B     2.616     0    0.036   0.048     2.913   57.143   57.143
LGA    K   135_B      K   135_B     2.670     0    0.028   0.676     4.671   59.048   53.545
LGA    A   136_B      A   136_B     1.953     0    0.048   0.055     2.281   70.833   71.238
LGA    E   137_B      E   137_B     1.739     2    0.048   0.082     2.023   68.810   56.772
LGA    E   138_B      E   138_B     2.315     0    0.021   1.200     6.728   64.762   45.873
LGA    L   139_B      L   139_B     2.237     0    0.022   0.137     2.826   64.762   62.857
LGA    V   140_B      V   140_B     2.002     0    0.093   0.187     2.087   66.786   67.075
LGA    K   141_B      K   141_B     2.106     4    0.062   0.084     2.385   64.762   35.979
LGA    E   142_B      E   142_B     2.278     4    0.061   0.117     2.354   64.762   35.979
LGA    K   143_B      K   143_B     1.842     4    0.026   0.063     2.011   70.833   39.577
LGA    G   144_B      G   144_B     1.668     0    0.076   0.076     1.741   72.857   72.857
LGA    Y   145_B      Y   145_B     1.386     0    0.060   0.177     1.599   79.286   86.032
LGA    F   146_B      F   146_B     1.149     0    0.062   0.089     1.506   81.429   80.649
LGA    M   147_B      M   147_B     1.033     0    0.072   0.117     1.585   83.690   81.488
LGA    P   148_B      P   148_B     1.612     0    0.240   0.301     3.120   67.262   72.109
LGA    M   149_B      M   149_B     3.289     3    0.228   0.266     4.213   61.190   35.238
LGA    Q   150_B      Q   150_B     3.320     4    0.656   0.609     5.328   48.571   24.497
LGA    F   151_B      F   151_B     3.016     0    0.066   1.227    11.640   61.071   26.580
LGA    D   152_B      D   152_B     4.010     3    0.161   0.173     5.756   36.786   21.071
LGA    N   153_B      N   153_B     7.172     3    0.131   0.165     8.305   15.833    8.512
LGA    P   154_B      P   154_B     7.789     0    0.236   0.358     9.062    4.643    3.878
LGA    A   155_B      A   155_B    12.424     0    0.583   0.586    14.329    0.000    0.000
LGA    H   160_B      H   160_B    11.915     5    0.609   0.605    12.683    0.000    0.000
LGA    E   161_B      E   161_B     8.412     0    0.139   0.782     9.462    5.119    6.085
LGA    E   162_B      E   162_B     6.964     0    0.148   0.970     7.702   11.667   11.534
LGA    T   163_B      T   163_B     8.566     0    0.154   0.229     9.938    3.333    2.585
LGA    T   164_B      T   164_B     9.617     0    0.071   0.101    11.095    1.548    0.884
LGA    G   165_B      G   165_B     7.052     0    0.034   0.034     7.831   10.119   10.119
LGA    K   166_B      K   166_B     6.869     4    0.016   0.076     7.769   10.238    6.455
LGA    E   167_B      E   167_B     9.317     0    0.050   0.949    10.043    1.667    1.481
LGA    I   168_B      I   168_B     9.415     0    0.028   0.104     9.995    1.548    1.250
LGA    L   169_B      L   169_B     7.829     0    0.030   1.157     8.799    4.881   11.310
LGA    E   170_B      E   170_B     9.622     0    0.013   0.808    10.940    0.833    0.635
LGA    A   171_B      A   171_B    11.211     0    0.092   0.096    11.968    0.000    0.000
LGA    F   172_B      F   172_B    10.255     0    0.042   0.228    10.391    0.000    0.563
LGA    G   173_B      G   173_B    11.014     0    0.666   0.666    11.014    0.357    0.357
LGA    D   174_B      D   174_B    11.281     0    0.127   0.328    14.715    0.119    0.060
LGA    D   175_B      D   175_B     9.384     0    0.247   0.847    10.339    2.262    1.190
LGA    I   176_B      I   176_B     5.399     0    0.141   0.605     6.834   25.595   26.310
LGA    P   177_B      P   177_B     3.467     0    0.076   0.424     4.321   46.786   46.395
LGA    D   178_B      D   178_B     2.895     0    0.030   0.223     4.752   59.167   50.595
LGA    A   179_B      A   179_B     1.839     0    0.029   0.039     2.287   70.833   71.238
LGA    F   180_B      F   180_B     1.452     0    0.014   0.115     2.148   79.286   73.723
LGA    V   181_B      V   181_B     0.918     0    0.025   0.063     1.117   83.690   86.599
LGA    A   182_B      A   182_B     1.357     0    0.019   0.028     1.573   79.286   78.000
LGA    G   183_B      G   183_B     1.629     0    0.093   0.093     1.629   75.000   75.000
LGA    V   184_B      V   184_B     2.071     0    0.364   1.140     3.484   61.190   62.925
LGA    G   185_B      G   185_B     3.537     0    0.262   0.262     4.918   42.262   42.262
LGA    T   186_B      T   186_B     5.216     0    0.090   0.138     7.045   27.619   22.721
LGA    G   187_B      G   187_B     3.383     0    0.083   0.083     3.854   46.667   46.667
LGA    G   188_B      G   188_B     4.549     0    0.059   0.059     4.549   35.714   35.714
LGA    T   189_B      T   189_B     4.023     0    0.023   0.123     4.961   41.905   38.231
LGA    L   190_B      L   190_B     2.476     0    0.018   1.335     2.855   62.857   67.024
LGA    T   191_B      T   191_B     2.629     0    0.046   0.122     3.207   57.143   56.122
LGA    G   192_B      G   192_B     3.344     0    0.029   0.029     3.344   50.000   50.000
LGA    V   193_B      V   193_B     3.056     0    0.048   0.129     3.247   53.571   52.041
LGA    G   194_B      G   194_B     2.356     0    0.077   0.077     2.485   64.762   64.762
LGA    H   195_B      H   195_B     2.844     0    0.024   1.147     4.208   53.571   55.429
LGA    A   196_B      A   196_B     3.579     0    0.010   0.043     3.927   46.667   46.000
LGA    L   197_B      L   197_B     3.119     0    0.019   0.082     3.510   51.786   51.845
LGA    K   198_B      K   198_B     2.715     0    0.043   0.650     3.849   57.143   57.354
LGA    K   199_B      K   199_B     3.394     2    0.048   0.216     3.520   48.333   38.148
LGA    A   200_B      A   200_B     3.222     0    0.045   0.059     3.382   50.000   50.000
LGA    N   201_B      N   201_B     2.983     0    0.051   0.376     4.190   55.357   51.964
LGA    P   202_B      P   202_B     2.600     0    0.105   0.118     3.072   57.143   56.122
LGA    N   203_B      N   203_B     2.433     0    0.060   1.115     3.657   62.857   57.381
LGA    V   204_B      V   204_B     2.288     0    0.037   1.016     3.950   70.952   61.088
LGA    Q   205_B      Q   205_B     1.565     0    0.022   0.399     3.255   77.143   72.275
LGA    I   206_B      I   206_B     1.396     0    0.029   0.071     2.020   81.429   77.202
LGA    Y   207_B      Y   207_B     1.024     0    0.049   0.101     1.477   81.429   87.540
LGA    A   208_B      A   208_B     1.497     0    0.052   0.050     1.698   81.429   79.714
LGA    L   209_B      L   209_B     1.867     0    0.064   0.785     3.126   68.810   65.952
LGA    E   210_B      E   210_B     2.612     0    0.053   0.307     2.723   59.048   60.529
LGA    P   211_B      P   211_B     2.960     0    0.060   0.107     3.181   53.571   53.061
LGA    A   212_B      A   212_B     3.342     0    0.571   0.521     3.609   48.333   48.667
LGA    P   236_B      P   236_B    15.007     0    0.493   0.735    16.005    0.000    0.000
LGA    K   237_B      K   237_B    15.339     0    0.502   1.006    18.253    0.000    0.000
LGA    V   238_B      V   238_B    15.024     0    0.603   0.929    17.313    0.000    0.000
LGA    L   239_B      L   239_B     9.147     0    0.150   1.416    11.271    1.786    5.952
LGA    D   240_B      D   240_B     7.092     0    0.022   0.088     8.019   16.190   12.976
LGA    T   241_B      T   241_B     3.740     0    0.108   0.158     5.316   51.190   42.789
LGA    D   242_B      D   242_B     2.711     0    0.215   0.173     4.144   57.262   52.024
LGA    V   243_B      V   243_B     1.905     0    0.071   0.122     2.227   72.976   76.667
LGA    Y   244_B      Y   244_B     1.385     0    0.075   0.419     2.382   77.143   72.262
LGA    N   245_B      N   245_B     1.114     0    0.050   0.307     1.686   81.429   80.357
LGA    G   246_B      G   246_B     1.263     0    0.096   0.096     1.263   81.429   81.429
LGA    I   247_B      I   247_B     1.102     0    0.037   0.061     1.551   88.214   82.679
LGA    L   248_B      L   248_B     1.153     0    0.048   0.100     1.872   77.143   79.286
LGA    E   249_B      E   249_B     1.873     0    0.130   0.334     3.146   70.952   69.524
LGA    I   250_B      I   250_B     2.841     0    0.067   0.544     3.288   53.571   56.429
LGA    K   251_B      K   251_B     4.018     2    0.041   0.106     4.763   40.357   29.683
LGA    S   252_B      S   252_B     4.621     0    0.027   0.583     5.709   32.857   30.714
LGA    D   253_B      D   253_B     5.100     0    0.083   0.968     8.520   30.119   20.536
LGA    D   254_B      D   254_B     4.098     0    0.038   0.714     5.838   38.810   35.298
LGA    A   255_B      A   255_B     3.537     0    0.071   0.092     3.822   43.333   43.333
LGA    I   256_B      I   256_B     4.497     0    0.222   0.200     5.181   35.714   32.262
LGA    T   257_B      T   257_B     4.580     0    0.056   0.121     5.233   34.286   32.313
LGA    M   258_B      M   258_B     3.320     0    0.035   0.871     3.786   48.333   51.012
LGA    A   259_B      A   259_B     3.404     0    0.062   0.060     3.659   48.333   47.333
LGA    R   260_B      R   260_B     3.970     0    0.011   1.002     6.475   43.333   32.078
LGA    E   261_B      E   261_B     3.425     0    0.068   0.181     4.072   51.905   47.196
LGA    V   262_B      V   262_B     2.236     0    0.021   0.070     2.701   62.857   64.830
LGA    G   263_B      G   263_B     3.042     0    0.139   0.139     3.219   51.786   51.786
LGA    H   264_B      H   264_B     3.457     0    0.562   0.947     7.147   46.786   32.667
LGA    Q   265_B      Q   265_B     2.863     0    0.041   1.050     4.705   59.167   53.704
LGA    E   266_B      E   266_B     1.522     0    0.091   0.125     1.947   77.143   79.524
LGA    G   267_B      G   267_B     1.860     0    0.115   0.115     1.899   72.857   72.857
LGA    I   268_B      I   268_B     1.770     0    0.024   0.149     2.483   68.810   75.179
LGA    L   269_B      L   269_B     3.008     0    0.110   1.342     5.608   51.786   49.167
LGA    V   270_B      V   270_B     2.880     0    0.039   0.126     3.243   53.571   58.367
LGA    G   271_B      G   271_B     3.532     0    0.051   0.051     3.532   48.333   48.333
LGA    I   272_B      I   272_B     3.821     0    0.023   0.188     4.732   43.333   39.524
LGA    S   273_B      S   273_B     3.375     0    0.039   0.092     3.670   51.905   50.159
LGA    A   274_B      A   274_B     2.645     0    0.034   0.046     2.891   60.952   60.190
LGA    G   275_B      G   275_B     2.776     0    0.040   0.040     2.776   57.143   57.143
LGA    A   276_B      A   276_B     2.749     0    0.032   0.044     3.034   60.952   58.762
LGA    N   277_B      N   277_B     2.036     0    0.010   0.058     2.392   68.810   66.786
LGA    I   278_B      I   278_B     1.715     0    0.044   0.093     1.890   72.857   72.857
LGA    K   279_B      K   279_B     2.150     0    0.047   0.536     4.875   64.762   53.651
LGA    G   280_B      G   280_B     1.716     0    0.055   0.055     1.905   77.143   77.143
LGA    A   281_B      A   281_B     0.819     0    0.020   0.037     1.180   83.690   85.048
LGA    I   282_B      I   282_B     1.817     0    0.019   0.083     2.392   70.952   69.881
LGA    E   283_B      E   283_B     2.252     0    0.080   0.860     2.526   64.762   65.714
LGA    V   284_B      V   284_B     1.664     0    0.020   0.050     2.151   70.833   76.667
LGA    A   285_B      A   285_B     2.059     0    0.019   0.045     2.821   62.976   63.333
LGA    K   286_B      K   286_B     3.004     0    0.024   0.680     5.320   51.786   48.201
LGA    K   287_B      K   287_B     3.190     2    0.090   0.146     3.561   48.333   39.735
LGA    L   288_B      L   288_B     3.142     0    0.020   0.145     3.810   48.333   52.738
LGA    G   289_B      G   289_B     3.670     0    0.059   0.059     3.870   45.000   45.000
LGA    K   290_B      K   290_B     4.385     2    0.660   0.984     4.933   35.714   28.413
LGA    G   291_B      G   291_B     5.295     0    0.024   0.024     5.295   28.810   28.810
LGA    K   292_B      K   292_B     3.762     0    0.067   0.635     6.799   43.452   35.714
LGA    Q   293_B      Q   293_B     2.980     0    0.060   1.201     5.922   55.357   42.434
LGA    V   294_B      V   294_B     1.676     0    0.050   0.081     1.994   75.000   77.755
LGA    I   295_B      I   295_B     1.573     0    0.052   1.143     3.944   77.143   74.583
LGA    T   296_B      T   296_B     1.183     0    0.022   0.101     1.548   79.286   81.497
LGA    V   297_B      V   297_B     2.088     0    0.048   1.081     4.389   66.786   64.354
LGA    A   298_B      A   298_B     2.504     0    0.063   0.085     2.770   59.048   60.190
LGA    P   299_B      P   299_B     3.539     0    0.131   0.248     3.827   45.000   46.190
LGA    D   300_B      D   300_B     3.983     0    0.072   0.218     4.488   43.333   42.619
LGA    G   301_B      G   301_B     3.440     0    0.034   0.034     4.241   45.119   45.119
LGA    G   302_B      G   302_B     4.546     0    0.016   0.016     5.795   30.595   30.595
LGA    D   303_B      D   303_B     6.060     0    0.259   1.202     8.082   14.167   19.107
LGA    R   304_B      R   304_B     6.300     6    0.085   0.088     6.772   17.262    7.835
LGA    Y   305_B      Y   305_B     6.352     0    0.022   0.211     6.685   15.238   26.270
LGA    L   306_B      L   306_B     7.139     0    0.048   0.117     7.695    9.405    9.345
LGA    S   307_B      S   307_B     8.053     0    0.229   0.204     9.304    4.524    4.603
LGA    T   308_B      T   308_B     7.987     0    0.080   0.150     7.987    7.143    7.551
LGA    E   309_B      E   309_B     7.944     3    0.088   0.678     9.043    7.976    4.233
LGA    L   310_B      L   310_B     6.384     0    0.588   0.632     8.131   12.262   19.286
LGA    F   311_B      F   311_B     4.842     0    0.411   0.393     5.363   28.810   32.035
LGA    N   312_B      N   312_B     7.302     0    0.610   1.254    13.031   14.524    7.440
LGA    Y   313_B      Y   313_B     7.556     0    0.613   0.447    14.016    6.429    2.460

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      279    1116   1116  100.00    1977   1977  100.00               281
SUMMARY(RMSD_GDC):     4.082          4.069                  4.326           54.670   51.480

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  306  281    4.0    223    2.47    64.057    58.286     8.672

LGA_LOCAL      RMSD:   2.471  Number of atoms:  223  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   4.179  Number of assigned atoms:  279 
Std_ASGN_ATOMS RMSD:   4.082  Standard rmsd on all 279 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.814880 * X  +  -0.540119 * Y  +  -0.210337 * Z  +   6.430305
  Y_new =   0.523390 * X  +   0.529730 * Y  +   0.667420 * Z  +  -0.737578
  Z_new =  -0.249064 * X  +  -0.653956 * Y  +   0.714359 * Z  +   1.116512 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.570937  0.251714 -0.741282   [DEG:   32.7123   14.4221  -42.4723 ]
ZXZ: -2.836296  0.775088 -2.777696   [DEG: -162.5078   44.4093 -159.1503 ]
 
# END of job
