
#######################################################
#                                                     #
#                        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  302 ( 2523),  selected  285 , name one
# Molecule2: number of CA atoms  285 ( 2384),  selected  285 , 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:   190      18_B - 207_B       4.79    10.34
  LCS_AVERAGE:     60.23

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   176      18_B - 193_B       1.91    13.10
  LCS_AVERAGE:     54.24

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   110     192_B - 301_B       0.99    14.18
  LCS_AVERAGE:     32.70

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  285
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     E    18_B     E    18_B     91  176  190      5   92  139  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     N    19_B     N    19_B     91  176  190      5   91  138  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     T    20_B     T    20_B     91  176  190     32  112  140  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     Y    21_B     Y    21_B     91  176  190     60  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     L    22_B     L    22_B     91  176  190     60  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     S    23_B     S    23_B     91  176  190     60  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     K    24_B     K    24_B     91  176  190     72  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     S    25_B     S    25_B     91  176  190     72  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     Q    26_B     Q    26_B     91  176  190     72  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     Q    27_B     Q    27_B     91  176  190     72  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     D    28_B     D    28_B     91  176  190     72  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     T    29_B     T    29_B     91  176  190     45  124  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     Q    30_B     Q    30_B     91  176  190     45  122  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     V    31_B     V    31_B     91  176  190     70  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     N    32_B     N    32_B     91  176  190     72  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     C    33_B     C    33_B     91  176  190     72  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     Q    34_B     Q    34_B     91  176  190     72  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     L    35_B     L    35_B     91  176  190     72  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     K    36_B     K    36_B     91  176  190     67  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     I    37_B     I    37_B     91  176  190     70  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     N    38_B     N    38_B     91  176  190     55  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     S    39_B     S    39_B     91  176  190      4   99  142  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     S    40_B     S    40_B     91  176  190     37  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     Q    41_B     Q    41_B     91  176  190     55  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     H    42_B     H    42_B     91  176  190     72  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     L    43_B     L    43_B     91  176  190     72  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     V    44_B     V    44_B     91  176  190     72  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     V    45_B     V    45_B     91  176  190     72  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     N    46_B     N    46_B     91  176  190     46  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     S    47_B     S    47_B     91  176  190     72  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     Q    48_B     Q    48_B     91  176  190     72  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     T    49_B     T    49_B     91  176  190     72  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     R    50_B     R    50_B     91  176  190     72  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     D    51_B     D    51_B     91  176  190     72  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     C    52_B     C    52_B     91  176  190     72  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     F    53_B     F    53_B     91  176  190     72  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     E    54_B     E    54_B     91  176  190     72  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     Y    55_B     Y    55_B     91  176  190     72  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     F    56_B     F    56_B     91  176  190     72  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     I    57_B     I    57_B     91  176  190     72  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     T    58_B     T    58_B     91  176  190     72  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     Q    59_B     Q    59_B     91  176  190     72  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     Y    60_B     Y    60_B     91  176  190     72  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     G    61_B     G    61_B     91  176  190     62  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     E    62_B     E    62_B     91  176  190     57  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     S    63_B     S    63_B     91  176  190     62  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     N    64_B     N    64_B     91  176  190     72  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     L    65_B     L    65_B     91  176  190     22  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     Q    66_B     Q    66_B     91  176  190     22  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     K    67_B     K    67_B     91  176  190     40  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     V    68_B     V    68_B     91  176  190     65  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     K    69_B     K    69_B     91  176  190     72  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     T    70_B     T    70_B     91  176  190     40  123  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     H    71_B     H    71_B     91  176  190     40  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     F    72_B     F    72_B     91  176  190     72  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     E    73_B     E    73_B     91  176  190     72  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     K    74_B     K    74_B     91  176  190     57  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     F    75_B     F    75_B     91  176  190     72  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     I    76_B     I    76_B     91  176  190     72  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     Q    77_B     Q    77_B     91  176  190     62  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     D    78_B     D    78_B     91  176  190     62  127  144  154  160  164  169  171  172  173  177  185  194  203  208  219  228  238  246  257 
LCS_GDT     Q    79_B     Q    79_B     91  176  190     63  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     Y    80_B     Y    80_B     91  176  190     72  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     L    81_B     L    81_B     91  176  190     27  119  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     E    82_B     E    82_B     91  176  190     69  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     P    83_B     P    83_B     91  176  190     63  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     A    84_B     A    84_B     91  176  190     72  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     R    85_B     R    85_B     91  176  190     72  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     S    86_B     S    86_B     91  176  190     72  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     Q    87_B     Q    87_B     91  176  190     72  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     I    88_B     I    88_B     91  176  190     72  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     I    89_B     I    89_B     91  176  190     72  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     D    90_B     D    90_B     91  176  190     72  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     L    91_B     L    91_B     91  176  190     72  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     W    92_B     W    92_B     91  176  190     72  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     T    93_B     T    93_B     91  176  190     72  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     R    94_B     R    94_B     91  176  190     72  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     Y    95_B     Y    95_B     91  176  190     72  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     L    96_B     L    96_B     91  176  190     72  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     K    97_B     K    97_B     91  176  190     68  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     Y    98_B     Y    98_B     91  176  190     68  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     R    99_B     R    99_B     91  176  190     72  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     E   100_B     E   100_B     91  176  190     72  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     Q   101_B     Q   101_B     91  176  190     22  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     L   102_B     L   102_B     91  176  190     59  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     A   103_B     A   103_B     91  176  190     14   77  133  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     Q   104_B     Q   104_B     91  176  190     13   47  122  153  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     I   105_B     I   105_B     91  176  190     16   84  139  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     Q   106_B     Q   106_B     91  176  190     13   56  121  151  160  164  169  171  172  172  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     P   107_B     P   107_B     91  176  190     10   35   89  141  157  164  169  171  172  172  173  177  187  203  208  220  229  238  247  257 
LCS_GDT     S   108_B     S   108_B     91  176  190     12   35   89  137  154  164  169  171  172  172  172  177  180  188  198  215  227  238  247  257 
LCS_GDT     Q   109_B     Q   109_B     79  176  190      3   17   40   81  131  155  166  169  172  172  172  174  176  179  184  192  198  209  238  257 
LCS_GDT     S   110_B     S   110_B     78  176  190      3   25   77  137  155  164  169  171  172  172  172  177  180  183  191  205  210  224  247  257 
LCS_GDT     K   111_B     K   111_B     70  176  190      5   23   89  137  155  164  169  171  172  172  172  175  179  183  191  195  210  213  232  257 
LCS_GDT     Q   112_B     Q   112_B     69  176  190      5   25   83  137  155  164  169  171  172  172  172  177  180  183  191  205  210  224  247  257 
LCS_GDT     Q   113_B     Q   113_B     73  176  190     13   66  139  154  160  164  169  171  172  172  173  177  184  194  207  215  227  236  247  257 
LCS_GDT     D   114_B     D   114_B     73  176  190     29  122  143  154  160  164  169  171  172  172  177  185  194  203  208  217  227  238  247  257 
LCS_GDT     Q   115_B     Q   115_B     74  176  190     62  127  144  154  160  164  169  171  172  173  177  185  194  203  208  217  229  238  247  257 
LCS_GDT     N   116_B     N   116_B     74  176  190     53  124  143  154  160  164  169  171  172  173  177  185  194  203  208  217  229  238  247  257 
LCS_GDT     Y   117_B     Y   117_B     74  176  190     57  125  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     F   118_B     F   118_B     74  176  190     72  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     Q   119_B     Q   119_B     74  176  190     69  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     K   120_B     K   120_B     74  176  190     65  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     V   121_B     V   121_B     74  176  190     43  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     F   122_B     F   122_B     74  176  190     72  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     N   123_B     N   123_B     74  176  190     72  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     S   124_B     S   124_B     74  176  190     72  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     I   125_B     I   125_B     74  176  190     62  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     Q   126_B     Q   126_B     74  176  190     72  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     D   127_B     D   127_B     74  176  190     72  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     I   128_B     I   128_B     74  176  190     72  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     R   129_B     R   129_B     74  176  190     72  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     K   130_B     K   130_B     74  176  190     72  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     R   131_B     R   131_B     74  176  190     72  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     F   132_B     F   132_B     74  176  190     72  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     F   133_B     F   133_B     74  176  190     72  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     S   134_B     S   134_B     74  176  190     72  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     A   135_B     A   135_B     74  176  190     72  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     S   136_B     S   136_B     74  176  190     72  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     E   137_B     E   137_B     74  176  190     72  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     I   138_B     I   138_B     74  176  190     72  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     E   139_B     E   139_B     74  176  190     72  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     G   140_B     G   140_B     74  176  190     72  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     L   141_B     L   141_B     74  176  190     72  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     F   142_B     F   142_B     74  176  190     72  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     S   143_B     S   143_B     74  176  190     62  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     T   144_B     T   144_B     74  176  190     23  116  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     E   145_B     E   145_B     74  176  190     26  122  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     D   146_B     D   146_B     74  176  190     72  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     I   147_B     I   147_B     74  176  190     62  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     Y   148_B     Y   148_B     74  176  190     53  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     Q   149_B     Q   149_B     74  176  190     66  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     N   150_B     N   150_B     74  176  190     72  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     Y   151_B     Y   151_B     74  176  190     72  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     T   152_B     T   152_B     74  176  190     71  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     L   153_B     L   153_B     74  176  190     72  127  144  154  160  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     D   154_B     D   154_B     74  176  190     72  127  144  154  160  164  169  171  172  173  177  185  194  203  208  217  227  238  247  257 
LCS_GDT     R   155_B     R   155_B     74  176  190     72  127  144  154  160  164  169  171  172  173  177  185  194  203  208  217  227  238  247  257 
LCS_GDT     M   156_B     M   156_B     74  176  190     72  127  144  154  160  164  169  171  172  173  177  185  194  203  208  217  227  238  247  257 
LCS_GDT     K   157_B     K   157_B     74  176  190     72  127  144  154  160  164  169  171  172  173  177  185  194  203  208  217  227  238  247  257 
LCS_GDT     I   158_B     I   158_B     74  176  190     72  127  144  154  160  164  169  171  172  173  177  185  194  203  208  217  227  236  247  257 
LCS_GDT     L   159_B     L   159_B     74  176  190     72  127  144  154  160  164  169  171  172  173  177  185  194  203  208  217  227  236  247  257 
LCS_GDT     E   160_B     E   160_B     74  176  190     72  127  144  154  160  164  169  171  172  173  177  185  194  203  208  217  227  236  247  257 
LCS_GDT     D   161_B     D   161_B     74  176  190     72  127  144  154  160  164  169  171  172  173  177  185  194  203  208  217  227  235  247  257 
LCS_GDT     S   162_B     S   162_B     74  176  190     19  110  144  153  160  164  169  171  172  173  177  185  194  203  208  217  227  235  247  257 
LCS_GDT     S   163_B     S   163_B     74  176  190     19  110  144  153  160  164  169  171  172  173  177  185  194  203  207  215  225  232  241  251 
LCS_GDT     L   164_B     L   164_B     74  176  190     12  110  144  154  160  164  169  171  172  173  177  185  193  203  207  215  225  232  239  251 
LCS_GDT     S   165_B     S   165_B     74  176  190     38  110  144  154  160  164  169  171  172  173  177  185  193  203  207  215  225  232  239  251 
LCS_GDT     E   166_B     E   166_B     74  176  190     55  123  144  154  160  164  169  171  172  173  177  185  193  203  207  215  225  232  239  251 
LCS_GDT     I   167_B     I   167_B     74  176  190     38  110  144  154  160  164  169  171  172  173  177  185  193  203  207  215  225  232  239  251 
LCS_GDT     E   168_B     E   168_B     74  176  190     38  110  144  154  160  164  169  171  172  173  177  185  194  203  208  217  226  232  241  251 
LCS_GDT     K   169_B     K   169_B     74  176  190     70  127  144  154  160  164  169  171  172  173  177  185  194  203  208  217  227  232  243  257 
LCS_GDT     A   170_B     A   170_B     74  176  190     62  125  144  154  160  164  169  171  172  173  177  185  194  203  208  217  227  232  243  257 
LCS_GDT     K   171_B     K   171_B     74  176  190     38  123  144  154  160  164  169  171  172  173  177  185  194  203  208  217  227  232  243  257 
LCS_GDT     K   172_B     K   172_B     74  176  190     20  127  144  154  160  164  169  171  172  173  177  185  194  203  208  217  227  236  247  257 
LCS_GDT     L   173_B     L   173_B     74  176  190     72  127  144  154  160  164  169  171  172  173  177  185  194  203  208  217  227  236  247  257 
LCS_GDT     K   174_B     K   174_B     74  176  190     72  127  144  154  160  164  169  171  172  173  177  185  194  203  208  217  227  236  247  257 
LCS_GDT     E   175_B     E   175_B     74  176  190     20  127  144  154  160  164  169  171  172  173  177  185  194  203  208  217  227  236  247  257 
LCS_GDT     R   176_B     R   176_B     74  176  190     20  127  144  154  160  164  169  171  172  173  177  185  194  203  208  217  227  236  247  257 
LCS_GDT     F   177_B     F   177_B     74  176  190     62  127  144  154  160  164  169  171  172  173  177  185  194  203  208  217  227  236  247  257 
LCS_GDT     E   178_B     E   178_B     74  176  190     39  123  144  154  160  164  169  171  172  173  177  185  194  203  208  217  227  236  247  257 
LCS_GDT     Q   179_B     Q   179_B     74  176  190     20  104  143  154  160  164  169  171  172  173  177  185  194  203  208  217  227  236  247  257 
LCS_GDT     L   180_B     L   180_B     74  176  190     29  106  143  154  160  164  169  171  172  173  177  185  194  203  208  217  227  238  247  257 
LCS_GDT     P   181_B     P   181_B     74  176  190     18   78  120  145  160  164  169  171  172  173  177  185  194  203  208  217  227  238  247  257 
LCS_GDT     E   182_B     E   182_B     74  176  190      9   49  113  137  157  164  169  171  172  173  177  185  194  203  208  217  227  236  247  257 
LCS_GDT     D   183_B     D   183_B     74  176  190     18   45   78  128  153  164  169  171  172  173  177  185  194  203  208  217  227  236  247  257 
LCS_GDT     W   184_B     W   184_B     74  176  190     20   59  124  152  160  164  169  171  172  173  177  185  194  203  208  217  229  238  247  257 
LCS_GDT     Q   185_B     Q   185_B     74  176  190     20  102  143  154  160  164  169  171  172  173  177  185  194  203  208  217  227  238  247  257 
LCS_GDT     E   186_B     E   186_B     74  176  190     18   49   82  113  152  164  169  171  172  173  177  185  194  203  208  217  227  236  247  257 
LCS_GDT     N   187_B     N   187_B     74  176  190     12   35   74   95  148  162  169  171  172  173  177  185  194  203  208  217  229  238  247  257 
LCS_GDT     L   188_B     L   188_B     74  176  190      8   57   96  146  158  164  169  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     Q   189_B     Q   189_B     72  176  190      7   53   85  126  156  162  167  171  172  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     E   190_B     E   190_B      7  176  190      4    6   16   25   51   84  115  148  168  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     L   191_B     L   191_B     88  176  190      4    6   14   32   75  112  118  156  168  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     S   192_B     S   192_B    110  176  190     11   53   97  107  110  112  122  144  167  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     K   193_B     K   193_B    110  176  190      6   71   99  107  110  112  114  117  133  146  168  185  194  203  208  222  229  238  247  257 
LCS_GDT     L   194_B     L   194_B    110  120  190     25   82   99  107  110  112  114  117  132  146  168  185  194  203  208  222  229  238  247  257 
LCS_GDT     D   195_B     D   195_B    110  120  190     15   74   99  107  110  112  114  117  132  146  168  185  194  203  208  222  229  238  247  257 
LCS_GDT     D   196_B     D   196_B    110  120  190     27   82   99  107  110  112  114  117  121  131  149  161  183  200  208  222  229  238  247  257 
LCS_GDT     L   197_B     L   197_B    110  120  190     33   82   99  107  110  112  114  117  121  129  149  161  183  200  208  222  229  238  247  257 
LCS_GDT     H   198_B     H   198_B    110  120  190     27   82   99  107  110  112  114  117  121  131  149  161  183  200  208  222  229  238  247  257 
LCS_GDT     T   199_B     T   199_B    110  120  190     27   82   99  107  110  112  114  117  121  129  140  158  181  200  208  222  229  238  247  257 
LCS_GDT     L   200_B     L   200_B    110  120  190     26   82   99  107  110  112  114  117  121  129  140  158  180  200  208  222  229  238  247  256 
LCS_GDT     T   201_B     T   201_B    110  120  190     35   82   99  107  110  112  114  117  121  129  140  161  183  200  208  222  229  238  247  257 
LCS_GDT     K   202_B     K   202_B    110  120  190     17   82   99  107  110  112  114  117  121  129  140  155  174  200  208  222  229  238  247  256 
LCS_GDT     Q   203_B     Q   203_B    110  120  190     31   82   99  107  110  112  114  117  121  127  139  151  163  189  203  215  229  233  241  253 
LCS_GDT     I   204_B     I   204_B    110  120  190     17   82   99  107  110  112  114  117  121  127  139  153  163  189  197  213  226  233  240  248 
LCS_GDT     K   205_B     K   205_B    110  120  190     15   61   99  107  110  112  114  117  121  127  137  151  163  173  196  213  222  232  239  248 
LCS_GDT     A   206_B     A   206_B    110  120  190     19   65   99  107  110  112  114  117  121  127  134  144  159  173  183  200  219  232  239  243 
LCS_GDT     R   207_B     R   207_B    110  120  190     19   68   99  107  110  112  114  117  120  127  132  144  149  155  176  194  209  221  235  241 
LCS_GDT     N   208_B     N   208_B    110  120  135     15   49   89  107  110  112  114  117  120  127  132  144  149  164  176  194  209  221  235  241 
LCS_GDT     G   209_B     G   209_B    110  120  135     13   46   88  107  110  112  114  117  121  127  134  144  153  173  183  194  213  221  235  242 
LCS_GDT     S   210_B     S   210_B    110  120  135     13   31   67  101  110  112  114  117  121  127  134  144  153  165  183  194  210  221  235  242 
LCS_GDT     A   211_B     A   211_B    110  120  135     10   38   67  101  110  112  114  117  121  127  134  151  163  173  190  213  221  232  239  244 
LCS_GDT     E   212_B     E   212_B    110  120  135     15   36   66  101  110  112  114  117  121  127  134  151  163  173  183  200  219  232  239  243 
LCS_GDT     E   213_B     E   213_B    110  120  135     17   39   84  107  110  112  114  117  121  127  138  153  163  173  190  213  222  232  239  244 
LCS_GDT     L   214_B     L   214_B    110  120  135     17   51   99  107  110  112  114  117  121  129  140  153  172  191  208  217  229  235  242  252 
LCS_GDT     R   215_B     R   215_B    110  120  135     17   46   99  107  110  112  114  117  121  129  140  153  172  197  208  217  229  235  242  252 
LCS_GDT     Q   216_B     Q   216_B    110  120  135     17   43   99  107  110  112  114  117  121  129  140  153  172  189  208  215  229  233  241  250 
LCS_GDT     M   217_B     M   217_B    110  120  135     17   82   99  107  110  112  114  117  121  129  140  159  181  200  208  222  229  237  246  256 
LCS_GDT     R   218_B     R   218_B    110  120  135     39   82   99  107  110  112  114  117  121  129  149  161  183  200  208  222  229  238  247  257 
LCS_GDT     T   219_B     T   219_B    110  120  135     24   82   99  107  110  112  114  117  121  129  147  161  183  200  208  222  229  238  247  256 
LCS_GDT     A   220_B     A   220_B    110  120  135     31   82   99  107  110  112  114  117  121  129  149  161  183  200  208  222  229  238  247  256 
LCS_GDT     L   221_B     L   221_B    110  120  135     49   82   99  107  110  112  114  117  121  129  149  161  183  200  208  222  229  238  247  257 
LCS_GDT     V   222_B     V   222_B    110  120  135     49   82   99  107  110  112  114  117  121  129  149  161  183  200  208  222  229  238  247  257 
LCS_GDT     G   223_B     G   223_B    110  120  135     49   82   99  107  110  112  114  117  121  129  149  161  183  200  208  222  229  238  247  257 
LCS_GDT     A   224_B     A   224_B    110  120  135     49   82   99  107  110  112  114  117  121  129  147  161  182  200  208  222  229  238  247  256 
LCS_GDT     E   225_B     E   225_B    110  120  135     49   82   99  107  110  112  114  117  121  129  147  161  183  200  208  222  229  238  247  256 
LCS_GDT     A   226_B     A   226_B    110  120  135     49   82   99  107  110  112  114  117  121  129  149  161  183  200  208  222  229  238  247  257 
LCS_GDT     T   227_B     T   227_B    110  120  135     49   82   99  107  110  112  114  117  121  129  149  161  183  200  208  222  229  238  247  257 
LCS_GDT     Q   228_B     Q   228_B    110  120  135     49   82   99  107  110  112  114  117  121  129  147  161  183  200  208  222  229  238  247  256 
LCS_GDT     R   229_B     R   229_B    110  120  135     49   82   99  107  110  112  114  117  121  129  149  161  183  200  208  222  229  238  247  257 
LCS_GDT     L   230_B     L   230_B    110  120  135     49   82   99  107  110  112  114  117  121  129  149  161  183  200  208  222  229  238  247  257 
LCS_GDT     E   231_B     E   231_B    110  120  135     49   82   99  107  110  112  114  117  121  129  149  161  183  200  208  222  229  238  247  257 
LCS_GDT     T   232_B     T   232_B    110  120  135     49   82   99  107  110  112  114  117  121  129  149  161  183  200  208  222  229  238  247  257 
LCS_GDT     L   233_B     L   233_B    110  120  135     49   82   99  107  110  112  114  117  121  129  149  161  183  200  208  222  229  238  247  257 
LCS_GDT     D   234_B     D   234_B    110  120  135     49   82   99  107  110  112  114  117  121  129  149  161  183  200  208  222  229  238  247  257 
LCS_GDT     I   235_B     I   235_B    110  120  135     49   82   99  107  110  112  114  117  121  129  149  161  183  200  208  222  229  238  247  257 
LCS_GDT     Q   236_B     Q   236_B    110  120  135     49   82   99  107  110  112  114  117  121  129  149  161  183  200  208  222  229  238  247  257 
LCS_GDT     R   237_B     R   237_B    110  120  135     49   82   99  107  110  112  114  117  121  129  149  161  183  200  208  222  229  238  247  257 
LCS_GDT     N   238_B     N   238_B    110  120  135     49   82   99  107  110  112  114  117  121  129  149  161  183  200  208  222  229  238  247  257 
LCS_GDT     A   239_B     A   239_B    110  120  135     39   82   99  107  110  112  114  117  121  129  149  161  183  200  208  222  229  238  247  257 
LCS_GDT     W   240_B     W   240_B    110  120  135     26   82   99  107  110  112  114  117  121  129  149  161  183  200  208  222  229  238  247  257 
LCS_GDT     Q   241_B     Q   241_B    110  120  135     26   82   99  107  110  112  114  117  121  129  149  161  183  200  208  222  229  238  247  257 
LCS_GDT     Q   242_B     Q   242_B    110  120  135     32   82   99  107  110  112  114  117  121  129  149  161  183  200  208  222  229  238  247  257 
LCS_GDT     R   243_B     R   243_B    110  120  135     39   82   99  107  110  112  114  117  121  129  149  161  183  200  208  222  229  238  247  257 
LCS_GDT     V   244_B     V   244_B    110  120  135     49   82   99  107  110  112  114  117  121  129  149  162  183  200  208  222  229  238  247  257 
LCS_GDT     T   245_B     T   245_B    110  120  135     49   82   99  107  110  112  114  117  121  129  149  161  183  200  208  222  229  238  247  257 
LCS_GDT     G   246_B     G   246_B    110  120  135     49   82   99  107  110  112  114  117  121  129  149  161  183  200  208  222  229  238  247  257 
LCS_GDT     Y   247_B     Y   247_B    110  120  135     49   82   99  107  110  112  114  117  121  129  149  161  183  200  208  222  229  238  247  257 
LCS_GDT     L   248_B     L   248_B    110  120  135     49   82   99  107  110  112  114  117  121  136  152  166  189  203  208  222  229  238  247  257 
LCS_GDT     N   249_B     N   249_B    110  120  135     49   82   99  107  110  112  114  117  121  129  149  162  183  200  208  222  229  238  247  257 
LCS_GDT     Q   250_B     Q   250_B    110  120  135     49   82   99  107  110  112  114  117  121  129  149  161  183  200  208  222  229  238  247  257 
LCS_GDT     R   251_B     R   251_B    110  120  135     49   82   99  107  110  112  114  117  121  136  150  166  192  203  208  222  229  238  247  257 
LCS_GDT     D   252_B     D   252_B    110  120  135     49   82   99  107  110  112  114  117  125  139  153  183  194  203  208  222  229  238  247  257 
LCS_GDT     E   253_B     E   253_B    110  120  135     49   82   99  107  110  112  114  117  121  134  150  165  189  202  208  222  229  238  247  257 
LCS_GDT     V   254_B     V   254_B    110  120  135     49   82   99  107  110  112  114  117  121  136  152  167  192  203  208  222  229  238  247  257 
LCS_GDT     L   255_B     L   255_B    110  120  135     49   82   99  107  110  112  114  117  126  147  168  185  194  203  208  222  229  238  247  257 
LCS_GDT     H   256_B     H   256_B    110  120  135     49   82   99  107  110  112  114  117  129  147  171  185  194  203  208  222  229  238  247  257 
LCS_GDT     S   257_B     S   257_B    110  120  135     49   82   99  107  110  112  114  117  121  139  152  179  194  203  208  222  229  238  247  257 
LCS_GDT     N   258_B     N   258_B    110  120  135     49   82   99  107  110  112  114  117  121  139  163  181  194  203  208  222  229  238  247  257 
LCS_GDT     M   259_B     M   259_B    110  120  135     21   82   99  107  110  112  114  117  121  129  149  176  194  203  208  222  229  238  247  257 
LCS_GDT     S   260_B     S   260_B    110  120  135     19   82   99  107  110  112  114  117  121  129  149  174  194  203  208  222  229  238  247  257 
LCS_GDT     D   261_B     D   261_B    110  120  135     19   82   99  107  110  112  114  117  121  129  149  181  194  203  208  222  229  238  247  257 
LCS_GDT     S   262_B     S   262_B    110  120  135     26   82   99  107  110  112  114  117  121  129  147  158  183  200  208  222  229  238  247  257 
LCS_GDT     A   263_B     A   263_B    110  120  135     49   82   99  107  110  112  114  117  121  129  149  161  183  200  208  222  229  238  247  257 
LCS_GDT     K   264_B     K   264_B    110  120  135     49   82   99  107  110  112  114  117  121  129  149  174  194  203  208  222  229  238  247  257 
LCS_GDT     K   265_B     K   265_B    110  120  135     44   82   99  107  110  112  114  117  121  129  149  165  188  203  208  222  229  238  247  257 
LCS_GDT     Q   266_B     Q   266_B    110  120  135     49   82   99  107  110  112  114  117  121  129  147  161  183  200  208  222  229  238  247  257 
LCS_GDT     A   267_B     A   267_B    110  120  135     49   82   99  107  110  112  114  117  121  129  149  161  183  200  208  222  229  238  247  257 
LCS_GDT     I   268_B     I   268_B    110  120  135     49   82   99  107  110  112  114  117  121  129  149  161  183  202  208  222  229  238  247  257 
LCS_GDT     Q   269_B     Q   269_B    110  120  135     34   82   99  107  110  112  114  117  121  129  149  161  183  200  208  222  229  238  247  257 
LCS_GDT     Q   270_B     Q   270_B    110  120  135     34   82   99  107  110  112  114  117  121  129  147  161  183  200  208  222  229  238  247  257 
LCS_GDT     L   271_B     L   271_B    110  120  135     32   82   99  107  110  112  114  117  121  129  149  161  183  200  208  222  229  238  247  257 
LCS_GDT     R   272_B     R   272_B    110  120  135     34   82   99  107  110  112  114  117  121  129  149  161  183  200  208  222  229  238  247  257 
LCS_GDT     Q   273_B     Q   273_B    110  120  135     34   82   99  107  110  112  114  117  121  129  147  158  179  200  208  222  229  238  247  257 
LCS_GDT     Q   274_B     Q   274_B    110  120  135     49   82   99  107  110  112  114  117  121  127  140  158  170  200  208  222  229  238  247  257 
LCS_GDT     Q   275_B     Q   275_B    110  120  135     44   82   99  107  110  112  114  117  121  129  147  158  183  200  208  222  229  238  247  257 
LCS_GDT     F   276_B     F   276_B    110  120  135     39   82   99  107  110  112  114  117  121  129  147  158  183  200  208  222  229  238  247  257 
LCS_GDT     S   277_B     S   277_B    110  120  135     26   80   99  107  110  112  114  117  121  127  134  153  165  183  194  216  229  238  247  257 
LCS_GDT     S   278_B     S   278_B    110  120  135      9   67   97  107  110  112  114  117  121  127  134  153  165  183  194  216  229  238  247  257 
LCS_GDT     S   279_B     S   279_B    110  120  135     26   79   99  107  110  112  114  117  121  127  134  153  165  183  196  222  229  238  247  257 
LCS_GDT     Q   280_B     Q   280_B    110  120  135     25   79   97  107  110  112  114  117  121  129  147  158  183  200  208  222  229  238  247  257 
LCS_GDT     E   281_B     E   281_B    110  120  135     25   82   99  107  110  112  114  117  121  129  149  161  183  200  208  222  229  238  247  257 
LCS_GDT     Q   282_B     Q   282_B    110  120  135     26   82   99  107  110  112  114  117  121  129  147  161  183  200  208  222  229  238  247  257 
LCS_GDT     L   283_B     L   283_B    110  120  135     49   82   99  107  110  112  114  117  121  129  147  161  183  202  208  222  229  238  247  257 
LCS_GDT     R   284_B     R   284_B    110  120  135     49   82   99  107  110  112  114  117  121  135  152  181  194  203  208  222  229  238  247  257 
LCS_GDT     L   285_B     L   285_B    110  120  135     39   82   99  107  110  112  114  117  121  136  152  176  194  203  208  222  229  238  247  257 
LCS_GDT     R   286_B     R   286_B    110  120  135     49   82   99  107  110  112  114  117  121  144  171  185  194  203  208  222  229  238  247  257 
LCS_GDT     T   287_B     T   287_B    110  120  135     49   82   99  107  110  112  114  117  144  169  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     F   288_B     F   288_B    110  120  135     49   82   99  107  110  112  114  117  137  162  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     E   289_B     E   289_B    110  120  135     49   82   99  107  110  112  114  117  131  162  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     T   290_B     T   290_B    110  120  135     49   82   99  107  110  112  114  142  167  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     V   291_B     V   291_B    110  120  135     49   82   99  107  110  112  118  150  167  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     H   292_B     H   292_B    110  120  135     49   82   99  107  110  112  114  125  147  162  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     D   293_B     D   293_B    110  120  135     27   82   99  107  110  112  114  135  167  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     Q   294_B     Q   294_B    110  120  135     39   82   99  107  110  122  152  163  168  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     G   295_B     G   295_B    110  120  135     49   82   99  107  110  112  115  129  155  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     G   296_B     G   296_B    110  120  135     30   82   99  107  110  112  114  130  156  173  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     E   297_B     E   297_B    110  120  135     39   82   99  107  110  112  114  117  131  149  171  185  193  203  208  222  229  238  247  257 
LCS_GDT     L   298_B     L   298_B    110  120  135     49   82   99  107  110  112  114  117  131  153  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     P   299_B     P   299_B    110  120  135     49   82   99  107  110  112  114  117  137  161  177  185  194  203  208  222  229  238  247  257 
LCS_GDT     F   300_B     F   300_B    110  120  135      4   82   99  107  110  112  114  117  125  142  158  183  194  203  208  222  229  238  247  257 
LCS_GDT     N   301_B     N   301_B    110  120  135      6   62   99  107  110  112  114  117  129  146  163  185  194  203  208  222  229  238  247  257 
LCS_GDT     Y   302_B     Y   302_B     91  120  135      4   13   39   66   94  114  148  163  168  173  177  185  194  203  208  222  229  238  247  257 
LCS_AVERAGE  LCS_A:  49.06  (  32.70   54.24   60.23 )

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    127    144    154    160    164    169    171    172    173    177    185    194    203    208    222    229    238    247    257 
GDT PERCENT_AT  25.26  44.56  50.53  54.04  56.14  57.54  59.30  60.00  60.35  60.70  62.11  64.91  68.07  71.23  72.98  77.89  80.35  83.51  86.67  90.18
GDT RMS_LOCAL    0.31   0.54   0.68   0.84   0.96   1.15   1.27   1.34   1.40   2.37   2.77   3.31   4.01   4.21   4.57   5.13   5.25   5.51   5.77   5.98
GDT RMS_ALL_AT  13.09  13.43  13.15  13.34  13.33  13.57  13.56  13.49  13.55  11.48  10.86  10.03   8.88   8.79   8.16   7.01   7.06   6.91   7.01   6.99

# Checking swapping
#   possible swapping detected:  E    18_B      E    18_B
#   possible swapping detected:  E    54_B      E    54_B
#   possible swapping detected:  Y    55_B      Y    55_B
#   possible swapping detected:  F    56_B      F    56_B
#   possible swapping detected:  Y    60_B      Y    60_B
#   possible swapping detected:  E    62_B      E    62_B
#   possible swapping detected:  F    72_B      F    72_B
#   possible swapping detected:  E    73_B      E    73_B
#   possible swapping detected:  F    75_B      F    75_B
#   possible swapping detected:  E    82_B      E    82_B
#   possible swapping detected:  Y    95_B      Y    95_B
#   possible swapping detected:  Y    98_B      Y    98_B
#   possible swapping detected:  E   100_B      E   100_B
#   possible swapping detected:  Y   117_B      Y   117_B
#   possible swapping detected:  F   122_B      F   122_B
#   possible swapping detected:  E   139_B      E   139_B
#   possible swapping detected:  Y   148_B      Y   148_B
#   possible swapping detected:  Y   151_B      Y   151_B
#   possible swapping detected:  E   160_B      E   160_B
#   possible swapping detected:  E   168_B      E   168_B
#   possible swapping detected:  E   175_B      E   175_B
#   possible swapping detected:  F   177_B      F   177_B
#   possible swapping detected:  E   178_B      E   178_B
#   possible swapping detected:  E   182_B      E   182_B
#   possible swapping detected:  E   186_B      E   186_B
#   possible swapping detected:  E   212_B      E   212_B
#   possible swapping detected:  E   213_B      E   213_B
#   possible swapping detected:  E   231_B      E   231_B
#   possible swapping detected:  Y   247_B      Y   247_B
#   possible swapping detected:  E   253_B      E   253_B
#   possible swapping detected:  E   281_B      E   281_B
#   possible swapping detected:  E   289_B      E   289_B
#   possible swapping detected:  E   297_B      E   297_B
#   possible swapping detected:  Y   302_B      Y   302_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E    18_B      E    18_B     1.929     0    0.132   0.136     1.991   72.857   72.857
LGA    N    19_B      N    19_B     2.053     0    0.069   0.345     2.755   70.833   66.845
LGA    T    20_B      T    20_B     1.511     0    0.048   0.063     1.884   77.143   77.755
LGA    Y    21_B      Y    21_B     0.458     0    0.189   0.350     1.579   95.238   89.127
LGA    L    22_B      L    22_B     0.400     0    0.047   1.044     2.589   97.619   87.857
LGA    S    23_B      S    23_B     0.370     0    0.042   0.116     0.574  100.000   98.413
LGA    K    24_B      K    24_B     0.222     0    0.072   0.950     4.269   97.619   78.942
LGA    S    25_B      S    25_B     0.824     0    0.045   0.062     1.120   88.214   85.952
LGA    Q    26_B      Q    26_B     0.805     0    0.040   0.268     1.530   90.476   87.513
LGA    Q    27_B      Q    27_B     0.706     0    0.202   1.215     4.462   88.214   78.889
LGA    D    28_B      D    28_B     0.907     0    0.061   1.186     3.696   88.214   80.119
LGA    T    29_B      T    29_B     1.450     0    0.020   0.187     1.725   81.429   80.204
LGA    Q    30_B      Q    30_B     1.279     0    0.100   0.337     2.932   81.429   76.825
LGA    V    31_B      V    31_B     0.734     0    0.000   0.070     0.958   90.476   90.476
LGA    N    32_B      N    32_B     0.547     0    0.354   1.139     2.344   86.071   81.845
LGA    C    33_B      C    33_B     0.541     0    0.063   0.068     0.713   92.857   92.063
LGA    Q    34_B      Q    34_B     0.238     0    0.103   0.872     4.034  100.000   81.958
LGA    L    35_B      L    35_B     0.383     0    0.122   0.140     0.878   95.238   96.429
LGA    K    36_B      K    36_B     0.622     0    0.054   0.802     4.346   90.476   72.910
LGA    I    37_B      I    37_B     0.595     0    0.055   0.084     1.148   88.214   88.214
LGA    N    38_B      N    38_B     0.908     0    0.008   0.150     1.376   85.952   89.405
LGA    S    39_B      S    39_B     1.810     0    0.256   0.274     2.828   71.071   70.317
LGA    S    40_B      S    40_B     1.021     0    0.034   0.667     1.369   85.952   84.444
LGA    Q    41_B      Q    41_B     0.808     0    0.146   1.248     3.848   88.214   77.407
LGA    H    42_B      H    42_B     0.465     0    0.068   1.104     4.664   92.857   70.714
LGA    L    43_B      L    43_B     0.325     0    0.066   0.191     0.843  100.000   96.429
LGA    V    44_B      V    44_B     0.244     0    0.083   0.126     1.065  100.000   94.626
LGA    V    45_B      V    45_B     0.352     0    0.019   0.080     0.624  100.000   97.279
LGA    N    46_B      N    46_B     0.782     0    0.086   0.265     1.163   90.476   89.345
LGA    S    47_B      S    47_B     0.486     0    0.058   0.627     1.976   97.619   92.302
LGA    Q    48_B      Q    48_B     0.306     0    0.023   0.524     1.545  100.000   92.804
LGA    T    49_B      T    49_B     0.183     0    0.022   0.053     0.453  100.000  100.000
LGA    R    50_B      R    50_B     0.306     0    0.077   0.233     0.708   97.619   93.939
LGA    D    51_B      D    51_B     0.317     0    0.019   0.228     0.546  100.000   97.619
LGA    C    52_B      C    52_B     0.140     0    0.027   0.063     0.530  100.000   98.413
LGA    F    53_B      F    53_B     0.368     0    0.061   0.244     0.699   97.619   97.403
LGA    E    54_B      E    54_B     0.394     0    0.030   0.237     0.867  100.000   94.709
LGA    Y    55_B      Y    55_B     0.516     0    0.046   0.099     0.904   97.619   94.444
LGA    F    56_B      F    56_B     0.279     0    0.031   0.159     0.527  100.000   99.134
LGA    I    57_B      I    57_B     0.133     0    0.039   0.091     0.593  100.000   97.619
LGA    T    58_B      T    58_B     0.159     0    0.077   1.114     2.331  100.000   89.932
LGA    Q    59_B      Q    59_B     0.264     0    0.068   0.158     0.703   97.619   97.884
LGA    Y    60_B      Y    60_B     0.331     0    0.067   0.294     1.643   97.619   89.167
LGA    G    61_B      G    61_B     0.527     0    0.046   0.046     1.196   90.595   90.595
LGA    E    62_B      E    62_B     0.847     0    0.096   0.327     1.508   90.476   88.519
LGA    S    63_B      S    63_B     0.789     0    0.056   0.696     1.767   88.214   86.032
LGA    N    64_B      N    64_B     0.749     0    0.058   0.125     1.648   90.476   84.881
LGA    L    65_B      L    65_B     0.765     0    0.063   0.097     1.626   90.476   84.881
LGA    Q    66_B      Q    66_B     1.148     0    0.033   1.479     5.395   81.429   63.968
LGA    K    67_B      K    67_B     1.235     0    0.028   0.803     3.787   85.952   76.349
LGA    V    68_B      V    68_B     0.524     0    0.075   0.088     0.789   92.857   93.197
LGA    K    69_B      K    69_B     0.719     0    0.038   0.136     1.275   88.214   86.455
LGA    T    70_B      T    70_B     1.348     0    0.125   0.167     2.174   81.429   75.442
LGA    H    71_B      H    71_B     1.199     0    0.092   0.197     1.941   85.952   80.667
LGA    F    72_B      F    72_B     0.455     0    0.005   0.158     0.676   95.238   96.537
LGA    E    73_B      E    73_B     0.741     0    0.071   0.142     1.055   88.214   88.466
LGA    K    74_B      K    74_B     0.965     0    0.018   1.217     6.209   88.214   69.048
LGA    F    75_B      F    75_B     0.638     0    0.031   0.089     0.693   90.476   90.476
LGA    I    76_B      I    76_B     0.648     0    0.006   0.061     0.735   90.476   90.476
LGA    Q    77_B      Q    77_B     0.798     0    0.082   0.224     1.751   90.476   84.497
LGA    D    78_B      D    78_B     0.850     0    0.089   0.235     1.279   88.214   88.214
LGA    Q    79_B      Q    79_B     0.668     0    0.198   0.521     1.395   90.476   90.529
LGA    Y    80_B      Y    80_B     0.497     0    0.040   0.127     1.051   90.595   90.516
LGA    L    81_B      L    81_B     1.152     0    0.125   0.340     3.327   88.214   73.750
LGA    E    82_B      E    82_B     0.574     0    0.020   0.399     1.886   90.476   86.508
LGA    P    83_B      P    83_B     0.688     0    0.121   0.142     1.053   88.214   89.184
LGA    A    84_B      A    84_B     0.056     0    0.024   0.036     0.315  100.000  100.000
LGA    R    85_B      R    85_B     0.181     0    0.021   0.143     1.358  100.000   93.203
LGA    S    86_B      S    86_B     0.061     0    0.182   0.241     0.915   97.619   96.825
LGA    Q    87_B      Q    87_B     0.274     0    0.000   0.353     1.536  100.000   94.868
LGA    I    88_B      I    88_B     0.217     0    0.060   0.097     0.472  100.000  100.000
LGA    I    89_B      I    89_B     0.354     0    0.009   0.144     0.873  100.000   96.429
LGA    D    90_B      D    90_B     0.213     0    0.049   0.134     0.591  100.000   98.810
LGA    L    91_B      L    91_B     0.255     0    0.032   0.110     0.363  100.000  100.000
LGA    W    92_B      W    92_B     0.236     0    0.047   0.155     0.835  100.000   95.918
LGA    T    93_B      T    93_B     0.353     0    0.021   0.118     0.568  100.000   98.639
LGA    R    94_B      R    94_B     0.327     0    0.134   0.315     0.962   97.619   95.671
LGA    Y    95_B      Y    95_B     0.485     0    0.032   0.090     0.583   92.857   97.619
LGA    L    96_B      L    96_B     0.537     0    0.054   0.118     0.724   92.857   92.857
LGA    K    97_B      K    97_B     0.906     0    0.103   0.131     2.607   90.476   79.947
LGA    Y    98_B      Y    98_B     0.946     0    0.021   0.215     1.122   88.214   88.214
LGA    R    99_B      R    99_B     0.807     0    0.049   0.626     1.697   92.857   89.784
LGA    E   100_B      E   100_B     0.611     0    0.006   0.787     4.107   92.857   76.243
LGA    Q   101_B      Q   101_B     0.967     0    0.249   1.236     6.079   83.810   61.958
LGA    L   102_B      L   102_B     0.887     0    0.133   0.160     1.506   88.214   86.012
LGA    A   103_B      A   103_B     2.186     0    0.044   0.041     2.868   64.881   64.857
LGA    Q   104_B      Q   104_B     2.623     0    0.223   0.849     3.534   55.595   59.894
LGA    I   105_B      I   105_B     1.954     0    0.057   0.081     2.352   66.786   73.095
LGA    Q   106_B      Q   106_B     2.856     0    0.061   1.115     4.732   57.143   52.751
LGA    P   107_B      P   107_B     3.534     0    0.137   0.160     4.371   45.000   43.401
LGA    S   108_B      S   108_B     3.992     0    0.021   0.578     4.511   37.381   39.365
LGA    Q   109_B      Q   109_B     5.577     0    0.553   0.519     7.697   19.048   17.302
LGA    S   110_B      S   110_B     3.941     0    0.086   0.445     4.067   40.238   44.683
LGA    K   111_B      K   111_B     4.062     0    0.136   0.800     4.671   41.905   40.000
LGA    Q   112_B      Q   112_B     3.891     0    0.168   0.210     6.743   46.667   31.481
LGA    Q   113_B      Q   113_B     2.130     0    0.330   0.468     4.468   62.976   57.566
LGA    D   114_B      D   114_B     1.036     0    0.047   0.087     2.154   85.952   79.464
LGA    Q   115_B      Q   115_B     0.485     0    0.049   0.295     1.688   97.619   88.677
LGA    N   116_B      N   116_B     0.955     0    0.164   0.866     2.906   88.214   76.548
LGA    Y   117_B      Y   117_B     0.683     0    0.092   0.105     1.399   92.857   87.500
LGA    F   118_B      F   118_B     0.186     0    0.046   0.142     0.775   97.619   95.671
LGA    Q   119_B      Q   119_B     0.498     0    0.107   0.214     1.297   97.619   92.646
LGA    K   120_B      K   120_B     0.284     0    0.017   0.132     3.092  100.000   84.392
LGA    V   121_B      V   121_B     0.630     0    0.080   0.137     1.519   90.595   86.735
LGA    F   122_B      F   122_B     0.834     0    0.016   0.411     1.792   88.214   83.160
LGA    N   123_B      N   123_B     0.528     0    0.036   0.153     1.013   90.476   91.726
LGA    S   124_B      S   124_B     0.627     0    0.036   0.041     0.997   90.476   90.476
LGA    I   125_B      I   125_B     0.826     0    0.022   0.178     1.535   90.476   87.143
LGA    Q   126_B      Q   126_B     0.534     0    0.035   0.482     1.447   90.476   89.524
LGA    D   127_B      D   127_B     0.425     0    0.041   0.224     0.737   92.857   94.048
LGA    I   128_B      I   128_B     0.559     0    0.019   0.125     0.990   90.476   91.667
LGA    R   129_B      R   129_B     0.460     0    0.036   0.112     0.474  100.000  100.000
LGA    K   130_B      K   130_B     0.610     0    0.081   0.127     0.876   90.476   92.593
LGA    R   131_B      R   131_B     0.815     0    0.053   1.090     4.663   88.214   75.065
LGA    F   132_B      F   132_B     0.455     0    0.062   0.095     0.734   97.619   93.939
LGA    F   133_B      F   133_B     0.317     0    0.072   0.128     0.683   97.619   99.134
LGA    S   134_B      S   134_B     0.635     0    0.031   0.046     0.857   95.238   93.651
LGA    A   135_B      A   135_B     0.467     0    0.055   0.061     0.631   97.619   98.095
LGA    S   136_B      S   136_B     0.283     0    0.034   0.033     0.595  100.000   98.413
LGA    E   137_B      E   137_B     0.162     0    0.054   0.265     0.775  100.000   97.884
LGA    I   138_B      I   138_B     0.364     0    0.025   0.108     0.611  100.000   98.810
LGA    E   139_B      E   139_B     0.241     0    0.007   0.941     3.766  100.000   85.873
LGA    G   140_B      G   140_B     0.192     0    0.031   0.031     0.295  100.000  100.000
LGA    L   141_B      L   141_B     0.200     0    0.052   0.053     0.323  100.000  100.000
LGA    F   142_B      F   142_B     0.205     0    0.190   0.239     0.839   97.619   94.805
LGA    S   143_B      S   143_B     0.706     0    0.095   0.109     1.028   90.476   88.968
LGA    T   144_B      T   144_B     1.126     0    0.100   1.022     3.841   83.690   77.279
LGA    E   145_B      E   145_B     1.138     0    0.038   0.879     3.696   85.952   68.730
LGA    D   146_B      D   146_B     0.424     0    0.088   0.109     0.989   97.619   95.238
LGA    I   147_B      I   147_B     0.514     0    0.026   0.171     1.543   95.238   89.524
LGA    Y   148_B      Y   148_B     0.718     0    0.012   0.132     2.587   92.857   76.905
LGA    Q   149_B      Q   149_B     0.687     0    0.057   0.788     2.789   90.476   83.810
LGA    N   150_B      N   150_B     0.448     0    0.019   0.418     1.643  100.000   93.036
LGA    Y   151_B      Y   151_B     0.193     0    0.015   0.053     1.071  100.000   93.690
LGA    T   152_B      T   152_B     0.688     0    0.014   0.106     1.273   92.857   90.544
LGA    L   153_B      L   153_B     0.961     0    0.099   0.203     1.756   85.952   84.881
LGA    D   154_B      D   154_B     0.714     0    0.079   0.861     3.201   88.214   79.881
LGA    R   155_B      R   155_B     0.429     0    0.039   1.131     4.200  100.000   87.619
LGA    M   156_B      M   156_B     0.769     0    0.027   0.171     1.035   88.214   91.726
LGA    K   157_B      K   157_B     1.019     0    0.039   0.126     3.422   88.214   75.450
LGA    I   158_B      I   158_B     0.719     0    0.109   0.150     1.061   88.214   91.726
LGA    L   159_B      L   159_B     0.787     0    0.024   0.030     0.801   90.476   90.476
LGA    E   160_B      E   160_B     1.008     0    0.059   0.170     1.208   83.690   83.439
LGA    D   161_B      D   161_B     1.109     0    0.052   0.174     1.586   83.690   80.417
LGA    S   162_B      S   162_B     2.198     0    0.264   0.281     3.621   66.786   60.079
LGA    S   163_B      S   163_B     2.323     0    0.103   0.097     2.493   66.786   66.111
LGA    L   164_B      L   164_B     1.833     0    0.051   0.106     2.012   70.833   72.917
LGA    S   165_B      S   165_B     1.980     0    0.051   0.556     4.005   72.857   65.556
LGA    E   166_B      E   166_B     1.709     0    0.057   1.490     7.615   75.000   53.598
LGA    I   167_B      I   167_B     2.056     0    0.092   1.305     4.886   70.833   70.060
LGA    E   168_B      E   168_B     1.904     0    0.020   0.412     3.767   70.833   65.185
LGA    K   169_B      K   169_B     1.223     0    0.046   0.112     1.467   83.690   82.434
LGA    A   170_B      A   170_B     1.430     0    0.020   0.021     1.747   81.429   79.714
LGA    K   171_B      K   171_B     1.492     0    0.024   0.768     2.129   81.429   79.683
LGA    K   172_B      K   172_B     1.093     0    0.032   0.465     2.697   85.952   81.746
LGA    L   173_B      L   173_B     0.613     0    0.036   0.102     0.974   95.238   94.048
LGA    K   174_B      K   174_B     0.463     0    0.028   0.117     1.111   92.857   90.529
LGA    E   175_B      E   175_B     0.940     0    0.008   0.110     2.061   88.214   79.735
LGA    R   176_B      R   176_B     0.758     0    0.024   0.337     1.287   90.476   89.654
LGA    F   177_B      F   177_B     0.647     0    0.031   0.178     1.548   88.214   83.983
LGA    E   178_B      E   178_B     1.138     0    0.038   0.205     1.704   81.548   81.481
LGA    Q   179_B      Q   179_B     1.474     0    0.030   0.075     1.836   77.143   75.714
LGA    L   180_B      L   180_B     1.592     0    0.045   0.154     2.166   72.976   76.131
LGA    P   181_B      P   181_B     2.473     0    0.098   0.135     2.664   62.857   63.741
LGA    E   182_B      E   182_B     3.058     0    0.010   0.071     4.422   51.786   45.026
LGA    D   183_B      D   183_B     3.385     0    0.090   0.952     4.804   51.786   43.810
LGA    W   184_B      W   184_B     2.156     0    0.023   0.087     2.483   64.762   66.497
LGA    Q   185_B      Q   185_B     1.878     0    0.068   0.671     2.314   68.810   72.063
LGA    E   186_B      E   186_B     3.359     0    0.049   0.087     4.676   48.452   42.910
LGA    N   187_B      N   187_B     3.880     0    0.141   0.846     4.338   41.786   54.821
LGA    L   188_B      L   188_B     3.157     0    0.192   0.225     4.672   43.690   51.369
LGA    Q   189_B      Q   189_B     4.103     0    0.102   1.131     6.924   28.810   41.429
LGA    E   190_B      E   190_B     8.136     0    0.029   1.192     9.827    6.310    4.550
LGA    L   191_B      L   191_B     7.831     0    0.179   1.407    10.016    6.786    5.298
LGA    S   192_B      S   192_B     8.194     0    0.216   0.600    10.423    3.095    4.206
LGA    K   193_B      K   193_B    11.320     0    0.027   0.656    12.762    0.119    0.053
LGA    L   194_B      L   194_B    11.797     0    0.038   0.043    12.941    0.000    0.000
LGA    D   195_B      D   195_B    11.204     0    0.016   0.054    13.413    0.000    0.000
LGA    D   196_B      D   196_B    13.854     0    0.029   0.310    15.960    0.000    0.000
LGA    L   197_B      L   197_B    15.860     0    0.038   0.075    17.916    0.000    0.000
LGA    H   198_B      H   198_B    15.114     0    0.030   1.413    17.229    0.000    0.000
LGA    T   199_B      T   199_B    16.202     0    0.055   0.107    18.486    0.000    0.000
LGA    L   200_B      L   200_B    19.396     0    0.025   0.117    21.173    0.000    0.000
LGA    T   201_B      T   201_B    20.159     0    0.016   0.053    21.570    0.000    0.000
LGA    K   202_B      K   202_B    19.739     0    0.039   0.989    21.353    0.000    0.000
LGA    Q   203_B      Q   203_B    21.662     0    0.100   0.167    23.821    0.000    0.000
LGA    I   204_B      I   204_B    23.811     0    0.036   0.085    25.593    0.000    0.000
LGA    K   205_B      K   205_B    24.197     0    0.123   0.116    25.409    0.000    0.000
LGA    A   206_B      A   206_B    24.458     0    0.148   0.153    25.844    0.000    0.000
LGA    R   207_B      R   207_B    27.542     0    0.021   0.245    29.199    0.000    0.000
LGA    N   208_B      N   208_B    28.583     0    0.090   0.936    33.486    0.000    0.000
LGA    G   209_B      G   209_B    28.449     0    0.059   0.059    28.834    0.000    0.000
LGA    S   210_B      S   210_B    29.883     0    0.025   0.046    30.886    0.000    0.000
LGA    A   211_B      A   211_B    28.570     0    0.016   0.017    29.255    0.000    0.000
LGA    E   212_B      E   212_B    29.497     0    0.018   0.285    31.023    0.000    0.000
LGA    E   213_B      E   213_B    27.595     0    0.040   0.096    28.468    0.000    0.000
LGA    L   214_B      L   214_B    24.948     0    0.017   0.170    26.071    0.000    0.000
LGA    R   215_B      R   215_B    25.796     0    0.015   1.336    29.905    0.000    0.000
LGA    Q   216_B      Q   216_B    25.874     0    0.029   0.092    29.570    0.000    0.000
LGA    M   217_B      M   217_B    23.092     0    0.013   0.158    24.307    0.000    0.000
LGA    R   218_B      R   218_B    21.720     0    0.080   0.247    23.974    0.000    0.000
LGA    T   219_B      T   219_B    23.354     0    0.059   0.056    25.080    0.000    0.000
LGA    A   220_B      A   220_B    22.002     0    0.073   0.080    22.576    0.000    0.000
LGA    L   221_B      L   221_B    19.002     0    0.088   0.114    20.152    0.000    0.000
LGA    V   222_B      V   222_B    19.033     0    0.139   0.171    19.898    0.000    0.000
LGA    G   223_B      G   223_B    21.763     0    0.028   0.028    22.721    0.000    0.000
LGA    A   224_B      A   224_B    24.611     0    0.101   0.112    25.713    0.000    0.000
LGA    E   225_B      E   225_B    24.025     0    0.009   0.821    24.050    0.000    0.000
LGA    A   226_B      A   226_B    21.377     0    0.094   0.103    22.149    0.000    0.000
LGA    T   227_B      T   227_B    22.870     0    0.050   0.091    24.478    0.000    0.000
LGA    Q   228_B      Q   228_B    25.087     0    0.032   1.503    29.815    0.000    0.000
LGA    R   229_B      R   229_B    23.262     0    0.050   0.194    23.817    0.000    0.000
LGA    L   230_B      L   230_B    21.715     0    0.055   0.231    22.653    0.000    0.000
LGA    E   231_B      E   231_B    24.586     0    0.036   0.234    27.519    0.000    0.000
LGA    T   232_B      T   232_B    25.197     0    0.021   0.039    25.948    0.000    0.000
LGA    L   233_B      L   233_B    22.255     0    0.043   0.098    23.119    0.000    0.000
LGA    D   234_B      D   234_B    23.016     0    0.072   0.122    23.886    0.000    0.000
LGA    I   235_B      I   235_B    25.688     0    0.025   0.119    28.003    0.000    0.000
LGA    Q   236_B      Q   236_B    24.246     0    0.024   0.122    24.651    0.000    0.000
LGA    R   237_B      R   237_B    21.934     0    0.039   0.336    22.708    0.000    0.000
LGA    N   238_B      N   238_B    24.307     0    0.084   0.272    25.924    0.000    0.000
LGA    A   239_B      A   239_B    25.791     0    0.129   0.140    26.345    0.000    0.000
LGA    W   240_B      W   240_B    23.155     0    0.031   0.058    24.085    0.000    0.000
LGA    Q   241_B      Q   241_B    22.295     0    0.086   0.355    23.122    0.000    0.000
LGA    Q   242_B      Q   242_B    24.777     0    0.045   0.267    26.949    0.000    0.000
LGA    R   243_B      R   243_B    24.693     0    0.015   1.061    26.139    0.000    0.000
LGA    V   244_B      V   244_B    21.516     0    0.004   0.107    22.621    0.000    0.000
LGA    T   245_B      T   245_B    22.279     0    0.137   0.166    23.556    0.000    0.000
LGA    G   246_B      G   246_B    24.588     0    0.104   0.104    24.768    0.000    0.000
LGA    Y   247_B      Y   247_B    23.002     0    0.022   0.157    23.398    0.000    0.000
LGA    L   248_B      L   248_B    20.883     0    0.031   0.041    21.575    0.000    0.000
LGA    N   249_B      N   249_B    23.245     0    0.031   0.253    24.928    0.000    0.000
LGA    Q   250_B      Q   250_B    24.462     0    0.068   0.291    27.419    0.000    0.000
LGA    R   251_B      R   251_B    21.614     0    0.028   0.153    22.535    0.000    0.000
LGA    D   252_B      D   252_B    20.768     0    0.011   0.201    21.502    0.000    0.000
LGA    E   253_B      E   253_B    23.354     0    0.011   0.063    26.905    0.000    0.000
LGA    V   254_B      V   254_B    22.554     0    0.059   0.057    23.737    0.000    0.000
LGA    L   255_B      L   255_B    19.361     0    0.052   0.055    20.528    0.000    0.000
LGA    H   256_B      H   256_B    20.401     0    0.038   0.089    21.664    0.000    0.000
LGA    S   257_B      S   257_B    22.578     0    0.063   0.701    23.265    0.000    0.000
LGA    N   258_B      N   258_B    22.114     0    0.242   0.269    23.408    0.000    0.000
LGA    M   259_B      M   259_B    22.138     0    0.076   0.753    24.383    0.000    0.000
LGA    S   260_B      S   260_B    20.480     0    0.018   0.059    21.642    0.000    0.000
LGA    D   261_B      D   261_B    18.668     0    0.069   0.298    19.304    0.000    0.000
LGA    S   262_B      S   262_B    20.692     0    0.020   0.627    21.833    0.000    0.000
LGA    A   263_B      A   263_B    22.744     0    0.036   0.040    23.267    0.000    0.000
LGA    K   264_B      K   264_B    20.975     0    0.009   0.093    21.396    0.000    0.000
LGA    K   265_B      K   265_B    20.023     0    0.025   0.165    21.343    0.000    0.000
LGA    Q   266_B      Q   266_B    23.096     0    0.042   0.098    27.255    0.000    0.000
LGA    A   267_B      A   267_B    24.125     0    0.040   0.046    24.373    0.000    0.000
LGA    I   268_B      I   268_B    21.949     0    0.114   0.143    22.504    0.000    0.000
LGA    Q   269_B      Q   269_B    22.518     0    0.061   0.979    23.617    0.000    0.000
LGA    Q   270_B      Q   270_B    25.514     0    0.016   0.953    30.717    0.000    0.000
LGA    L   271_B      L   271_B    25.026     0    0.041   1.403    26.678    0.000    0.000
LGA    R   272_B      R   272_B    23.240     0    0.085   0.791    24.391    0.000    0.000
LGA    Q   273_B      Q   273_B    25.486     0    0.079   0.423    27.185    0.000    0.000
LGA    Q   274_B      Q   274_B    27.561     0    0.195   0.200    29.727    0.000    0.000
LGA    Q   275_B      Q   275_B    26.544     0    0.048   0.407    27.307    0.000    0.000
LGA    F   276_B      F   276_B    24.677     0    0.039   0.135    25.229    0.000    0.000
LGA    S   277_B      S   277_B    26.308     0    0.111   0.106    27.690    0.000    0.000
LGA    S   278_B      S   278_B    24.898     0    0.009   0.094    25.417    0.000    0.000
LGA    S   279_B      S   279_B    22.262     0    0.022   0.602    23.381    0.000    0.000
LGA    Q   280_B      Q   280_B    20.242     0    0.054   1.101    23.419    0.000    0.000
LGA    E   281_B      E   281_B    20.716     0    0.019   0.133    24.224    0.000    0.000
LGA    Q   282_B      Q   282_B    20.144     0    0.035   0.066    23.668    0.000    0.000
LGA    L   283_B      L   283_B    16.835     0    0.093   1.407    18.158    0.000    0.000
LGA    R   284_B      R   284_B    16.165     0    0.044   0.163    17.832    0.000    0.000
LGA    L   285_B      L   285_B    17.587     0    0.109   0.131    20.240    0.000    0.000
LGA    R   286_B      R   286_B    15.032     0    0.014   0.070    17.603    0.000    0.000
LGA    T   287_B      T   287_B    13.333     0    0.082   0.128    14.018    0.000    0.000
LGA    F   288_B      F   288_B    15.019     0    0.009   0.194    17.072    0.000    0.000
LGA    E   289_B      E   289_B    15.370     0    0.069   0.222    18.822    0.000    0.000
LGA    T   290_B      T   290_B    12.328     0    0.031   0.121    13.397    0.000    0.000
LGA    V   291_B      V   291_B    12.407     0    0.015   0.040    13.187    0.000    0.000
LGA    H   292_B      H   292_B    14.962     0    0.034   1.117    19.032    0.000    0.000
LGA    D   293_B      D   293_B    13.898     0    0.073   0.198    15.625    0.000    0.000
LGA    Q   294_B      Q   294_B    11.776     0    0.030   0.136    12.462    0.000    0.265
LGA    G   295_B      G   295_B    14.211     0    0.020   0.020    14.376    0.000    0.000
LGA    G   296_B      G   296_B    13.456     0    0.043   0.043    15.229    0.000    0.000
LGA    E   297_B      E   297_B    15.282     0    0.086   0.116    17.643    0.000    0.000
LGA    L   298_B      L   298_B    15.763     0    0.009   0.083    18.737    0.000    0.000
LGA    P   299_B      P   299_B    14.310     0    0.163   0.152    15.085    0.000    0.000
LGA    F   300_B      F   300_B    16.362     0    0.077   0.186    19.710    0.000    0.000
LGA    N   301_B      N   301_B    14.831     0    0.017   0.241    20.481    0.000    0.000
LGA    Y   302_B      Y   302_B     9.424     0    0.113   1.438    11.069    0.714    2.024

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      285    1140   1140  100.00    2384   2384  100.00               285
SUMMARY(RMSD_GDC):     6.845          6.822                  6.951           52.071   49.840

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  302  285    4.0    171    1.34    59.123    57.807    11.893

LGA_LOCAL      RMSD:   1.338  Number of atoms:  171  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  13.489  Number of assigned atoms:  285 
Std_ASGN_ATOMS RMSD:   6.845  Standard rmsd on all 285 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.317424 * X  +   0.716872 * Y  +   0.620755 * Z  +  41.148945
  Y_new =  -0.922188 * X  +  -0.385870 * Y  +  -0.025945 * Z  + -34.808998
  Z_new =   0.220931 * X  +  -0.580688 * Y  +   0.783575 * Z  + -31.140160 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.902301 -0.222769 -0.637765   [DEG: -108.9938  -12.7637  -36.5412 ]
ZXZ:  1.529025  0.670397  2.778040   [DEG:   87.6067   38.4109  159.1700 ]
 
# END of job
