
#######################################################
#                                                     #
#                        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  249 ( 2004),  selected  226 , name one
# Molecule2: number of CA atoms  226 ( 1803),  selected  226 , 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:   226      23_B - 248_B       3.16     3.16
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   148      24_B - 171_B       1.98     3.28
  LCS_AVERAGE:     49.14

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    47      44_B - 90_B        0.99     3.27
  LONGEST_CONTINUOUS_SEGMENT:    47      45_B - 91_B        0.99     3.26
  LCS_AVERAGE:     12.69

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  226
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     R    23_B     R    23_B      0  147  226      0   16   29   75  103  164  186  200  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     Y    24_B     Y    24_B      7  148  226      4   47  128  159  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     K    25_B     K    25_B      7  148  226     36   89  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     A    26_B     A    26_B      7  148  226     36   89  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     E    27_B     E    27_B      7  148  226     36   89  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     I    28_B     I    28_B      7  148  226      9   78  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     G    29_B     G    29_B      7  148  226     12   45  119  159  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     S    30_B     S    30_B      7  148  226     12   45  119  159  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     V    31_B     V    31_B      4  148  226     13   47  117  159  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     S    32_B     S    32_B      4  148  226      3    4   13   53  115  175  193  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     P    33_B     P    33_B      5  148  226      3    4    6   14   41   94  128  156  195  206  207  211  215  217  219  221  222  222  224  224 
LCS_GDT     T    34_B     T    34_B      5  148  226      4    4   30   64  105  166  186  199  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     T    35_B     T    35_B      6  148  226     13   35  121  159  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     S    36_B     S    36_B      8  148  226      4   27  121  159  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     R    37_B     R    37_B      8  148  226      4   51  123  159  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     D    38_B     D    38_B      8  148  226      7   38   92  155  180  190  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     T    39_B     T    39_B      8  148  226      4    7   87  159  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     F    40_B     F    40_B      8  148  226     12   70  129  159  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     E    41_B     E    41_B      8  148  226      4    5   35  101  173  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     D    42_B     D    42_B      8  148  226     30   89  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     H    43_B     H    43_B      8  148  226      4   17   48  110  148  181  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     D    44_B     D    44_B     47  148  226      9   69  128  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     T    45_B     T    45_B     47  148  226     23   89  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     C    46_B     C    46_B     47  148  226     25   89  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     F    47_B     F    47_B     47  148  226     21   89  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     L    48_B     L    48_B     47  148  226     24   89  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     G    49_B     G    49_B     47  148  226     15   88  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     V    50_B     V    50_B     47  148  226     36   89  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     S    51_B     S    51_B     47  148  226     36   89  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     L    52_B     L    52_B     47  148  226     13   85  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     E    53_B     E    53_B     47  148  226     10   47  125  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     N    54_B     N    54_B     47  148  226     12   82  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     S    55_B     S    55_B     47  148  226     11   71  129  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     N    56_B     N    56_B     47  148  226     11   73  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     F    57_B     F    57_B     47  148  226     10   71  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     K    58_B     K    58_B     47  148  226     11   72  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     P    59_B     P    59_B     47  148  226     17   89  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     A    60_B     A    60_B     47  148  226     13   89  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     K    61_B     K    61_B     47  148  226     36   89  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     V    62_B     V    62_B     47  148  226     36   89  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     D    63_B     D    63_B     47  148  226     36   89  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     A    64_B     A    64_B     47  148  226     36   89  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     M    65_B     M    65_B     47  148  226     36   89  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     A    66_B     A    66_B     47  148  226     36   89  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     K    67_B     K    67_B     47  148  226     36   89  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     W    68_B     W    68_B     47  148  226     36   89  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     I    69_B     I    69_B     47  148  226     36   89  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     S    70_B     S    70_B     47  148  226     24   89  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     R    71_B     R    71_B     47  148  226     24   80  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     R    72_B     R    72_B     47  148  226     12   79  129  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     F    73_B     F    73_B     47  148  226     13   83  129  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     S    74_B     S    74_B     47  148  226      5   30  104  159  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     Q    75_B     Q    75_B     47  148  226     19   72  129  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     C    76_B     C    76_B     47  148  226     21   88  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     T    77_B     T    77_B     47  148  226     21   89  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     V    78_B     V    78_B     47  148  226     26   89  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     L    79_B     L    79_B     47  148  226     36   89  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     I    80_B     I    80_B     47  148  226     36   89  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     G    81_B     G    81_B     47  148  226     36   89  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     D    82_B     D    82_B     47  148  226      8   89  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     S    83_B     S    83_B     47  148  226     21   89  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     I    84_B     I    84_B     47  148  226     30   89  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     H    85_B     H    85_B     47  148  226     19   89  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     R    86_B     R    86_B     47  148  226     24   89  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     I    87_B     I    87_B     47  148  226     18   84  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     T    88_B     T    88_B     47  148  226     14   87  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     L    89_B     L    89_B     47  148  226     36   89  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     E    90_B     E    90_B     47  148  226     24   89  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     S    91_B     S    91_B     47  148  226      3   68  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     T    92_B     T    92_B     41  148  226      3   12   56  127  179  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     R    93_B     R    93_B     41  148  226      3   33  100  157  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     S    94_B     S    94_B     41  148  226      3   25   94  152  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     M    95_B     M    95_B     41  148  226      3   12   46  138  179  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     P    96_B     P    96_B     41  148  226      4   25   97  154  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     P    97_B     P    97_B     41  148  226     25   85  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     R    98_B     R    98_B     41  148  226     22   85  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     A    99_B     A    99_B     41  148  226     17   84  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     A   100_B     A   100_B     41  148  226     20   87  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     L   101_B     L   101_B     41  148  226     25   89  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     D   102_B     D   102_B     41  148  226     36   89  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     D   103_B     D   103_B     41  148  226     36   89  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     A   104_B     A   104_B     41  148  226     32   89  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     L   105_B     L   105_B     41  148  226     36   89  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     R   106_B     R   106_B     41  148  226     36   89  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     L   107_B     L   107_B     41  148  226     36   89  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     G   108_B     G   108_B     41  148  226     36   89  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     R   109_B     R   109_B     41  148  226     36   89  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     E   110_B     E   110_B     41  148  226     36   89  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     F   111_B     F   111_B     41  148  226     36   89  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     V   112_B     V   112_B     41  148  226     36   89  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     E   113_B     E   113_B     41  148  226     21   89  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     S   114_B     S   114_B     41  148  226     20   89  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     R   115_B     R   115_B     41  148  226     30   89  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     Q   116_B     Q   116_B     41  148  226     24   89  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     P   117_B     P   117_B     41  148  226     18   89  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     V   118_B     V   118_B     41  148  226     14   88  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     F   119_B     F   119_B     29  148  226     14   83  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     E   120_B     E   120_B     29  148  226     36   89  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     S   121_B     S   121_B     29  148  226     24   89  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     F   122_B     F   122_B     29  148  226      6   69  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     R   123_B     R   123_B     29  148  226     14   69  128  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     D   124_B     D   124_B      4  148  226      3    4   15   60  100  168  188  194  201  206  209  211  214  217  219  221  222  222  224  224 
LCS_GDT     R   125_B     R   125_B      4  148  226      3    4    4   30   37   56   68   80  150  170  191  202  208  212  215  219  221  222  224  224 
LCS_GDT     T   126_B     T   126_B      4  148  226      3    4    4   13   24  108  131  183  199  206  209  211  214  217  219  221  222  222  224  224 
LCS_GDT     K   127_B     K   127_B     37  148  226      8   56  126  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     F   128_B     F   128_B     37  148  226      5   41  104  157  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     T   129_B     T   129_B     37  148  226     11   71  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     F   130_B     F   130_B     37  148  226     22   88  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     V   131_B     V   131_B     37  148  226     36   89  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     T   132_B     T   132_B     37  148  226     36   89  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     C   133_B     C   133_B     37  148  226     28   89  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     S   134_B     S   134_B     37  148  226     26   89  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     E   135_B     E   135_B     37  148  226     22   88  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     V   136_B     V   136_B     37  148  226     17   88  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     Q   137_B     Q   137_B     37  148  226     23   89  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     S   138_B     S   138_B     37  148  226     23   88  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     W   139_B     W   139_B     37  148  226     23   88  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     G   140_B     G   140_B     37  148  226      4   63  128  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     L   141_B     L   141_B     37  148  226     13   45  128  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     Y   142_B     Y   142_B     37  148  226     15   47  128  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     G   143_B     G   143_B     37  148  226     16   47  128  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     D   144_B     D   144_B     37  148  226     17   47  128  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     Y   145_B     Y   145_B     37  148  226     15   72  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     H   146_B     H   146_B     37  148  226     16   67  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     E   147_B     E   147_B     37  148  226     16   71  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     R   148_B     R   148_B     37  148  226     24   89  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     L   149_B     L   149_B     37  148  226     23   89  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     R   150_B     R   150_B     37  148  226     16   50  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     Q   151_B     Q   151_B     37  148  226     16   81  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     H   152_B     H   152_B     37  148  226     22   89  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     Y   153_B     Y   153_B     37  148  226     17   89  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     D   154_B     D   154_B     37  148  226     14   69  131  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     Q   155_B     Q   155_B     37  148  226     16   81  131  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     D   156_B     D   156_B     37  148  226     36   86  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     A   157_B     A   157_B     37  148  226     21   85  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     A   158_B     A   158_B     37  148  226     36   89  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     F   159_B     F   159_B     37  148  226     30   89  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     R   160_B     R   160_B     37  148  226     17   89  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     G   161_B     G   161_B     37  148  226     22   89  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     S   162_B     S   162_B     37  148  226     25   89  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     V   163_B     V   163_B     37  148  226     17   74  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     E   164_B     E   164_B     37  148  226      8   46  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     A   165_B     A   165_B     37  148  226     19   89  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     F   166_B     F   166_B     37  148  226     15   52  107  159  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     G   167_B     G   167_B     37  148  226     20   79  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     R   168_B     R   168_B     33  148  226      6   71  129  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     D   169_B     D   169_B     30  148  226      5   14   41  111  173  189  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     Y   170_B     Y   170_B     12  148  226      6   11   16   40   87  148  194  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     H   171_B     H   171_B     12  148  226      6   11   24   47  114  184  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     G   172_B     G   172_B     12  139  226      4   11   14   25   61  123  181  200  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     K   173_B     K   173_B     12  130  226      4   11   14   19   32   65   88  134  194  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     R   174_B     R   174_B     12   33  226      3   11   12   16   23   32   53   79   99  140  161  205  215  217  219  221  222  222  224  224 
LCS_GDT     S   175_B     S   175_B     12   21  226      3   11   12   16   23   32   57   82  105  145  208  213  215  217  219  221  222  222  224  224 
LCS_GDT     E   176_B     E   176_B      4   21  226      3    3    8   18   26   45   75  106  143  177  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     G   177_B     G   177_B      4   21  226      3    3   11   18   34   62   92  139  163  199  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     V   178_B     V   178_B      3   21  226      3    3   25   59  106  167  188  200  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     S   179_B     S   179_B      3   19  226      3    3    4   17   43   57   72  136  180  197  206  213  215  217  219  221  222  222  224  224 
LCS_GDT     A   180_B     A   180_B      3    4  226      3    3    3    9   14   23   43   56   62   70  122  168  174  190  199  211  219  222  223  223 
LCS_GDT     Q   181_B     Q   181_B      3    4  226      3    3    3    7    8   35   41   50   63   80  122  168  174  199  214  217  220  222  223  224 
LCS_GDT     E   182_B     E   182_B     16   49  226      6   13   46   82  113  161  189  200  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     L   183_B     L   183_B     22   49  226      8   34  104  152  176  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     D   184_B     D   184_B     22   49  226      7   15   36   51  149  174  194  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     H   185_B     H   185_B     22   49  226      8   22   60  100  153  185  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     R   186_B     R   186_B     22   49  226      8   52  113  159  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     I   187_B     I   187_B     22   49  226     14   50  121  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     R   188_B     R   188_B     22   49  226      8   25   82  141  175  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     K   189_B     K   189_B     22   49  226      9   53  122  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     S   190_B     S   190_B     22   49  226     23   89  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     S   191_B     S   191_B     22   49  226     13   45  109  159  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     E   192_B     E   192_B     22   49  226     17   53  125  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     Y   193_B     Y   193_B     22   49  226     17   72  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     F   194_B     F   194_B     22   49  226     17   47  127  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     L   195_B     L   195_B     22   49  226     17   47  128  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     E   196_B     E   196_B     22   49  226     17   73  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     E   197_B     E   197_B     22   49  226     17   67  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     F   198_B     F   198_B     22   49  226     17   47  127  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     A   199_B     A   199_B     22   49  226     17   47  127  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     I   200_B     I   200_B     22   49  226     17   47  128  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     F   201_B     F   201_B     22   49  226     17   42  115  159  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     A   202_B     A   202_B     22   49  226     17   46  115  159  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     C   203_B     C   203_B     22   49  226     17   52  128  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     L   204_B     L   204_B     22   49  226     17   47  122  159  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     Q   205_B     Q   205_B     21   49  226      7   27   85  155  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     R   206_B     R   206_B      5   49  226     15   38  100  159  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     T   207_B     T   207_B      5   49  226      5   66  129  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     G   208_B     G   208_B     20   49  226      3   41   95  154  178  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     S   209_B     S   209_B     21   49  226     15   73  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     P   210_B     P   210_B     21   49  226      6   35  101  148  177  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     V   211_B     V   211_B     21   49  226     26   89  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     M   212_B     M   212_B     21   49  226     30   89  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     V   213_B     V   213_B     21   49  226     30   89  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     Y   214_B     Y   214_B     21   49  226     30   89  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     P   215_B     P   215_B     21   49  226     36   89  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     G   216_B     G   216_B     21   49  226     27   89  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     S   217_B     S   217_B     21   49  226     23   89  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     F   218_B     F   218_B     21   49  226     27   89  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     S   219_B     S   219_B     21   49  226     25   89  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     T   220_B     T   220_B     21   49  226     22   89  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     L   221_B     L   221_B     21   49  226     30   89  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     S   222_B     S   222_B     21   49  226     25   89  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     E   223_B     E   223_B     21   49  226     24   89  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     I   224_B     I   224_B     21   49  226     14   85  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     A   225_B     A   225_B     21   49  226     23   89  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     Q   226_B     Q   226_B     21   49  226     24   83  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     G   227_B     G   227_B     21   49  226     12   83  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     K   228_B     K   228_B     21   49  226      9   28  112  159  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     H   229_B     H   229_B     21   49  226      3   53  121  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     P   230_B     P   230_B     20   49  226      3    3    6   64  127  187  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     G   231_B     G   231_B      4   49  226      3    3    4    5   12   21   35   67  189  207  208  213  215  217  219  221  222  222  224  224 
LCS_GDT     A   232_B     A   232_B      4   24  226      3    5   18   33   53   72  127  189  199  203  207  211  214  217  219  221  222  222  224  224 
LCS_GDT     P   233_B     P   233_B      3    6  226      3    3    4    5    5    6   79   94  157  178  194  205  210  216  218  221  222  222  224  224 
LCS_GDT     E   234_B     E   234_B      5    6  226      4    5    9   27   53   72  113  139  190  203  207  211  214  216  219  221  222  222  224  224 
LCS_GDT     E   235_B     E   235_B      5    6  226      4    5    5   12   17   20   30   37  112  128  190  198  207  212  218  221  222  222  224  224 
LCS_GDT     L   236_B     L   236_B      5   10  226      4    5    5    6    9   11   14   15   19   21   61   69  107  201  207  211  216  219  224  224 
LCS_GDT     R   237_B     R   237_B      5   10  226      4    5   12   14   17   22   29   62   84  153  182  202  207  211  214  219  222  222  224  224 
LCS_GDT     D   238_B     D   238_B      9   11  226      4    6   23   66  144  179  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     L   239_B     L   239_B     10   11  226      4    6   24  120  159  188  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     I   240_B     I   240_B     10   11  226     36   89  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     V   241_B     V   241_B     10   11  226     23   89  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     V   242_B     V   242_B     10   11  226     33   89  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     S   243_B     S   243_B     10   11  226     36   89  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     L   244_B     L   244_B     10   11  226     30   89  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     H   245_B     H   245_B     10   11  226     22   89  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     L   246_B     L   246_B     10   11  226      6   41  129  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     K   247_B     K   247_B     10   11  226     10   72  129  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_GDT     G   248_B     G   248_B     10   11  226     10   87  132  161  180  191  195  201  207  207  209  213  215  217  219  221  222  222  224  224 
LCS_AVERAGE  LCS_A:  53.94  (  12.69   49.14  100.00 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT     36     89    132    161    180    191    195    201    207    207    209    213    215    217    219    221    222    222    224    224 
GDT PERCENT_AT  15.93  39.38  58.41  71.24  79.65  84.51  86.28  88.94  91.59  91.59  92.48  94.25  95.13  96.02  96.90  97.79  98.23  98.23  99.12  99.12
GDT RMS_LOCAL    0.36   0.67   0.95   1.17   1.34   1.48   1.55   1.69   1.91   1.91   2.00   2.33   2.43   2.46   2.57   2.69   2.76   2.76   2.93   2.94
GDT RMS_ALL_AT   3.40   3.30   3.29   3.28   3.28   3.28   3.27   3.26   3.22   3.22   3.22   3.18   3.18   3.18   3.17   3.17   3.17   3.17   3.17   3.16

# Checking swapping
#   possible swapping detected:  Y    24_B      Y    24_B
#   possible swapping detected:  F    40_B      F    40_B
#   possible swapping detected:  D    42_B      D    42_B
#   possible swapping detected:  F    47_B      F    47_B
#   possible swapping detected:  F    57_B      F    57_B
#   possible swapping detected:  F    73_B      F    73_B
#   possible swapping detected:  F   111_B      F   111_B
#   possible swapping detected:  E   113_B      E   113_B
#   possible swapping detected:  E   120_B      E   120_B
#   possible swapping detected:  F   122_B      F   122_B
#   possible swapping detected:  D   124_B      D   124_B
#   possible swapping detected:  Y   153_B      Y   153_B
#   possible swapping detected:  D   156_B      D   156_B
#   possible swapping detected:  F   166_B      F   166_B
#   possible swapping detected:  Y   170_B      Y   170_B
#   possible swapping detected:  F   194_B      F   194_B
#   possible swapping detected:  E   196_B      E   196_B
#   possible swapping detected:  E   234_B      E   234_B
#   possible swapping detected:  D   238_B      D   238_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    R    23_B      R    23_B     5.718     0    0.062   0.942    12.273   25.000   12.035
LGA    Y    24_B      Y    24_B     1.988     0    0.187   0.276     6.245   80.119   51.389
LGA    K    25_B      K    25_B     0.749     0    0.060   0.875     3.177   88.214   78.466
LGA    A    26_B      A    26_B     0.682     0    0.062   0.122     0.939   90.476   90.476
LGA    E    27_B      E    27_B     0.927     0    0.000   0.488     2.510   88.214   81.799
LGA    I    28_B      I    28_B     1.579     0    0.143   1.191     4.529   75.000   69.821
LGA    G    29_B      G    29_B     2.582     0    0.668   0.668     4.941   50.833   50.833
LGA    S    30_B      S    30_B     2.621     0    0.065   0.636     6.456   59.524   46.905
LGA    V    31_B      V    31_B     2.331     0    0.604   1.355     6.887   70.952   54.898
LGA    S    32_B      S    32_B     4.062     0    0.093   0.116     6.558   35.476   30.238
LGA    P    33_B      P    33_B     6.771     0    0.537   0.560     8.854   20.714   13.333
LGA    T    34_B      T    34_B     4.777     0    0.078   0.918     8.094   37.500   31.156
LGA    T    35_B      T    35_B     2.297     0    0.167   1.032     5.503   62.857   60.068
LGA    S    36_B      S    36_B     2.026     0    0.326   0.650     3.944   77.262   65.952
LGA    R    37_B      R    37_B     2.283     0    0.031   0.935     8.634   64.881   42.597
LGA    D    38_B      D    38_B     3.121     0    0.383   0.498     7.035   57.262   39.167
LGA    T    39_B      T    39_B     2.472     0    0.180   1.171     5.995   66.786   51.905
LGA    F    40_B      F    40_B     2.229     0    0.079   1.267     3.550   67.500   62.684
LGA    E    41_B      E    41_B     3.032     0    0.264   0.624     8.730   61.071   36.561
LGA    D    42_B      D    42_B     1.111     0    0.596   1.307     4.649   69.405   63.095
LGA    H    43_B      H    43_B     4.234     0    0.342   1.155    11.910   54.167   24.143
LGA    D    44_B      D    44_B     1.564     0    0.616   1.194     7.398   68.810   46.429
LGA    T    45_B      T    45_B     0.909     0    0.137   1.076     2.847   88.214   81.905
LGA    C    46_B      C    46_B     0.850     0    0.079   0.137     0.883   90.476   90.476
LGA    F    47_B      F    47_B     0.658     0    0.053   1.109     4.601   95.238   74.589
LGA    L    48_B      L    48_B     0.357     0    0.060   0.996     3.977  100.000   81.012
LGA    G    49_B      G    49_B     0.734     0    0.062   0.062     0.734   90.476   90.476
LGA    V    50_B      V    50_B     0.188     0    0.053   0.919     2.160  100.000   92.313
LGA    S    51_B      S    51_B     0.697     0    0.102   0.711     1.963   90.476   87.540
LGA    L    52_B      L    52_B     1.073     0    0.625   1.291     3.813   77.619   73.750
LGA    E    53_B      E    53_B     1.899     0    0.408   0.328     6.314   70.952   49.630
LGA    N    54_B      N    54_B     1.263     0    0.078   1.272     2.480   85.952   80.595
LGA    S    55_B      S    55_B     1.572     0    0.060   0.686     4.297   75.000   68.333
LGA    N    56_B      N    56_B     1.442     0    0.129   0.991     2.793   79.286   76.250
LGA    F    57_B      F    57_B     1.331     0    0.148   0.257     1.399   81.429   81.429
LGA    K    58_B      K    58_B     1.252     0    0.057   1.138     4.517   85.952   72.328
LGA    P    59_B      P    59_B     0.967     0    0.131   0.338     1.775   85.952   84.082
LGA    A    60_B      A    60_B     1.092     0    0.090   0.090     1.213   85.952   85.048
LGA    K    61_B      K    61_B     0.872     0    0.034   0.296     1.574   90.476   85.503
LGA    V    62_B      V    62_B     0.847     0    0.050   0.904     2.757   90.476   83.197
LGA    D    63_B      D    63_B     0.539     0    0.038   0.905     3.445   95.238   79.524
LGA    A    64_B      A    64_B     0.581     0    0.066   0.069     0.902   92.857   94.286
LGA    M    65_B      M    65_B     0.742     0    0.042   0.732     3.837   88.214   73.333
LGA    A    66_B      A    66_B     0.821     0    0.023   0.067     1.106   88.214   88.667
LGA    K    67_B      K    67_B     1.101     0    0.000   0.758     3.546   83.690   72.857
LGA    W    68_B      W    68_B     1.221     0    0.091   0.416     1.994   79.286   78.980
LGA    I    69_B      I    69_B     0.939     0    0.073   0.711     2.496   88.214   86.131
LGA    S    70_B      S    70_B     0.835     0    0.116   0.597     2.039   90.476   84.683
LGA    R    71_B      R    71_B     1.749     0    0.178   1.371     7.331   72.857   59.567
LGA    R    72_B      R    72_B     1.980     0    0.046   0.814     2.149   70.833   75.325
LGA    F    73_B      F    73_B     1.550     0    0.085   0.276     2.241   77.143   72.987
LGA    S    74_B      S    74_B     2.396     0    0.207   0.597     3.223   66.786   65.000
LGA    Q    75_B      Q    75_B     1.528     0    0.107   1.123     2.848   77.143   74.974
LGA    C    76_B      C    76_B     1.119     0    0.132   0.171     1.565   79.286   83.016
LGA    T    77_B      T    77_B     1.144     0    0.063   1.046     3.137   85.952   79.524
LGA    V    78_B      V    78_B     0.473     0    0.107   1.095     2.564   92.857   84.762
LGA    L    79_B      L    79_B     0.393     0    0.106   0.976     3.215   97.619   87.976
LGA    I    80_B      I    80_B     0.384     0    0.042   1.608     4.481  100.000   82.202
LGA    G    81_B      G    81_B     0.673     0    0.122   0.122     1.367   88.214   88.214
LGA    D    82_B      D    82_B     1.297     0    0.082   0.178     1.949   83.690   79.345
LGA    S    83_B      S    83_B     1.032     0    0.026   0.097     1.515   88.214   84.524
LGA    I    84_B      I    84_B     0.218     0    0.076   1.421     4.294   92.857   76.964
LGA    H    85_B      H    85_B     0.964     0    0.046   1.128     3.988   90.476   71.762
LGA    R    86_B      R    86_B     0.467     0    0.058   0.660     1.799   92.857   84.848
LGA    I    87_B      I    87_B     0.943     0    0.074   1.011     3.197   88.214   80.893
LGA    T    88_B      T    88_B     1.135     0    0.000   1.113     3.509   88.214   78.639
LGA    L    89_B      L    89_B     0.630     0    0.030   0.117     1.165   90.476   89.345
LGA    E    90_B      E    90_B     0.651     0    0.183   0.788     1.708   92.857   86.561
LGA    S    91_B      S    91_B     1.358     0    0.085   0.611     3.720   75.119   69.444
LGA    T    92_B      T    92_B     3.177     0    0.175   0.207     4.477   50.476   47.483
LGA    R    93_B      R    93_B     2.594     0    0.568   1.177     7.114   59.167   36.797
LGA    S    94_B      S    94_B     2.818     0    0.406   0.369     3.150   55.357   53.571
LGA    M    95_B      M    95_B     3.094     0    0.137   0.195     3.206   53.571   53.571
LGA    P    96_B      P    96_B     2.570     0    0.077   0.415     2.902   67.143   62.857
LGA    P    97_B      P    97_B     0.945     0    0.129   0.138     1.541   81.548   81.497
LGA    R    98_B      R    98_B     1.336     0    0.049   1.226     4.112   83.690   66.537
LGA    A    99_B      A    99_B     1.195     0    0.012   0.038     1.379   83.690   83.238
LGA    A   100_B      A   100_B     0.806     0    0.048   0.068     0.986   90.476   90.476
LGA    L   101_B      L   101_B     0.422     0    0.052   0.072     0.845   97.619   96.429
LGA    D   102_B      D   102_B     0.373     0    0.059   0.099     0.732   95.238   97.619
LGA    D   103_B      D   103_B     0.889     0    0.057   0.200     2.308   90.476   82.798
LGA    A   104_B      A   104_B     0.434     0    0.067   0.095     0.523   95.238   96.190
LGA    L   105_B      L   105_B     0.514     0    0.045   1.100     4.045   90.595   77.440
LGA    R   106_B      R   106_B     1.003     0    0.035   1.575     6.463   83.690   63.550
LGA    L   107_B      L   107_B     0.885     0    0.073   1.044     2.448   92.857   84.107
LGA    G   108_B      G   108_B     0.555     0    0.033   0.033     0.857   90.476   90.476
LGA    R   109_B      R   109_B     0.964     0    0.032   0.821     3.227   85.952   77.229
LGA    E   110_B      E   110_B     1.108     0    0.064   1.030     2.359   85.952   84.762
LGA    F   111_B      F   111_B     0.848     0    0.029   0.108     1.017   88.214   89.654
LGA    V   112_B      V   112_B     1.070     0    0.057   0.876     2.852   83.690   75.782
LGA    E   113_B      E   113_B     1.412     0    0.054   1.019     3.364   81.429   71.481
LGA    S   114_B      S   114_B     1.159     0    0.074   0.647     3.003   85.952   79.206
LGA    R   115_B      R   115_B     0.335     0    0.022   0.622     1.761   97.619   90.649
LGA    Q   116_B      Q   116_B     1.260     0    0.014   0.642     5.292   83.690   66.561
LGA    P   117_B      P   117_B     1.314     0    0.085   0.140     1.631   85.952   81.565
LGA    V   118_B      V   118_B     0.829     0    0.038   1.035     3.582   88.214   76.395
LGA    F   119_B      F   119_B     1.028     0    0.056   1.116     8.260   85.952   51.299
LGA    E   120_B      E   120_B     0.925     0    0.063   0.746     5.628   90.476   60.635
LGA    S   121_B      S   121_B     0.719     0    0.069   0.709     2.910   85.952   81.905
LGA    F   122_B      F   122_B     1.492     0    0.696   0.518     6.215   79.524   51.861
LGA    R   123_B      R   123_B     1.653     0    0.211   1.521    10.608   75.238   33.593
LGA    D   124_B      D   124_B     5.450     0    0.514   1.194     8.694   22.262   18.214
LGA    R   125_B      R   125_B    10.209     0    0.106   1.372    19.158    2.024    0.736
LGA    T   126_B      T   126_B     7.111     0    0.615   0.927    10.432   17.500   10.612
LGA    K   127_B      K   127_B     1.669     0    0.595   1.025     9.330   70.833   43.333
LGA    F   128_B      F   128_B     2.261     0    0.169   1.305     6.072   64.762   52.035
LGA    T   129_B      T   129_B     1.173     0    0.087   1.069     2.794   85.952   77.075
LGA    F   130_B      F   130_B     0.934     0    0.061   1.401     7.038   88.214   58.442
LGA    V   131_B      V   131_B     0.364     0    0.159   0.195     1.385   92.976   91.905
LGA    T   132_B      T   132_B     0.370     0    0.053   0.086     0.476  100.000  100.000
LGA    C   133_B      C   133_B     0.677     0    0.080   0.147     1.697   92.857   87.619
LGA    S   134_B      S   134_B     0.488     0    0.065   0.278     1.893   95.238   90.714
LGA    E   135_B      E   135_B     1.143     0    0.051   0.305     2.457   83.690   79.630
LGA    V   136_B      V   136_B     1.127     0    0.035   0.139     1.389   81.429   81.429
LGA    Q   137_B      Q   137_B     1.019     0    0.097   1.154     5.124   83.690   73.757
LGA    S   138_B      S   138_B     1.190     0    0.081   0.089     1.240   83.690   82.937
LGA    W   139_B      W   139_B     1.093     0    0.655   1.405     5.655   81.905   61.769
LGA    G   140_B      G   140_B     1.804     0    0.000   0.000     2.229   70.833   70.833
LGA    L   141_B      L   141_B     1.982     0    0.108   1.186     5.223   72.857   63.036
LGA    Y   142_B      Y   142_B     1.798     0    0.031   0.063     1.889   72.857   77.143
LGA    G   143_B      G   143_B     1.885     0    0.048   0.048     1.885   72.857   72.857
LGA    D   144_B      D   144_B     1.850     0    0.000   0.135     2.807   75.000   67.024
LGA    Y   145_B      Y   145_B     1.333     0    0.047   0.746     2.663   81.548   72.460
LGA    H   146_B      H   146_B     1.512     0    0.048   1.055     3.639   77.143   73.571
LGA    E   147_B      E   147_B     1.398     0    0.041   0.919     5.004   81.429   63.333
LGA    R   148_B      R   148_B     0.499     0    0.033   1.162     7.115   95.238   61.299
LGA    L   149_B      L   149_B     0.572     0    0.067   0.831     4.214   88.214   73.452
LGA    R   150_B      R   150_B     1.529     0    0.045   0.931     4.175   75.000   68.182
LGA    Q   151_B      Q   151_B     1.626     0    0.081   1.305     5.649   77.143   59.153
LGA    H   152_B      H   152_B     0.901     0    0.051   1.164     5.429   88.214   67.429
LGA    Y   153_B      Y   153_B     0.994     0    0.060   0.248     2.248   83.810   77.976
LGA    D   154_B      D   154_B     2.000     0    0.145   0.166     2.599   64.881   63.869
LGA    Q   155_B      Q   155_B     1.986     0    0.163   1.066     4.640   72.857   64.709
LGA    D   156_B      D   156_B     1.615     0    0.053   0.723     2.215   77.143   77.202
LGA    A   157_B      A   157_B     1.722     0    0.011   0.045     2.053   77.143   74.667
LGA    A   158_B      A   158_B     1.204     0    0.034   0.055     1.434   85.952   85.048
LGA    F   159_B      F   159_B     0.385     0    0.037   0.234     0.965   92.857   93.074
LGA    R   160_B      R   160_B     1.112     0    0.033   1.200     4.608   83.690   70.303
LGA    G   161_B      G   161_B     0.957     0    0.036   0.036     1.080   88.214   88.214
LGA    S   162_B      S   162_B     0.260     0    0.028   0.553     2.400   95.238   89.365
LGA    V   163_B      V   163_B     1.128     0    0.049   0.074     2.019   83.690   77.891
LGA    E   164_B      E   164_B     1.635     0    0.165   0.996     2.890   79.286   74.021
LGA    A   165_B      A   165_B     0.962     0    0.079   0.089     1.341   83.690   83.238
LGA    F   166_B      F   166_B     2.278     0    0.026   1.021     8.878   66.786   36.840
LGA    G   167_B      G   167_B     1.561     0    0.061   0.061     1.926   75.000   75.000
LGA    R   168_B      R   168_B     1.590     0    0.037   1.194     8.423   67.262   44.329
LGA    D   169_B      D   169_B     3.136     0    0.104   0.928     5.500   47.381   42.500
LGA    Y   170_B      Y   170_B     4.192     0    0.032   0.228     5.908   35.952   31.349
LGA    H   171_B      H   171_B     4.037     0    0.207   0.915     6.549   30.000   46.571
LGA    G   172_B      G   172_B     6.004     0    0.280   0.280     7.305   17.976   17.976
LGA    K   173_B      K   173_B     7.487     4    0.203   0.201     8.084    8.214    4.762
LGA    R   174_B      R   174_B     9.030     0    0.529   1.769    10.695    2.262    4.113
LGA    S   175_B      S   175_B     9.308     0    0.610   0.665    11.012    1.548    1.111
LGA    E   176_B      E   176_B     9.082     4    0.174   0.184     9.313    2.500    1.270
LGA    G   177_B      G   177_B     9.137     0    0.489   0.489     9.137    2.619    2.619
LGA    V   178_B      V   178_B     6.038     0    0.608   0.958     7.010   13.452   17.823
LGA    S   179_B      S   179_B    10.136     0    0.555   0.758    14.524    0.714    0.476
LGA    A   180_B      A   180_B    14.799     0    0.034   0.043    17.378    0.000    0.000
LGA    Q   181_B      Q   181_B    13.007     0    0.614   1.824    14.572    0.000    0.000
LGA    E   182_B      E   182_B     6.155     0    0.628   1.277     8.756   22.143   30.000
LGA    L   183_B      L   183_B     3.194     0    0.026   1.230     5.697   48.571   40.536
LGA    D   184_B      D   184_B     5.038     0    0.091   1.080    10.134   31.548   18.333
LGA    H   185_B      H   185_B     4.606     0    0.027   1.268     6.202   39.048   33.286
LGA    R   186_B      R   186_B     2.217     0    0.045   1.599    10.048   67.262   39.264
LGA    I   187_B      I   187_B     2.065     0    0.019   0.983     5.118   66.786   57.202
LGA    R   188_B      R   188_B     3.326     0    0.035   1.117    10.218   55.476   26.494
LGA    K   189_B      K   189_B     1.925     0    0.000   1.488     5.217   77.381   58.730
LGA    S   190_B      S   190_B     0.628     0    0.007   0.665     2.385   85.952   83.175
LGA    S   191_B      S   191_B     2.215     0    0.060   0.737     3.841   66.786   61.270
LGA    E   192_B      E   192_B     1.728     0    0.044   0.442     2.337   75.000   72.910
LGA    Y   193_B      Y   193_B     1.314     0    0.036   0.125     1.789   81.429   80.040
LGA    F   194_B      F   194_B     1.923     0    0.000   0.217     2.612   72.857   66.320
LGA    L   195_B      L   195_B     1.799     0    0.035   0.080     2.041   72.857   71.845
LGA    E   196_B      E   196_B     1.294     0    0.043   0.805     1.930   81.429   80.476
LGA    E   197_B      E   197_B     1.488     0    0.049   0.268     1.859   77.143   76.667
LGA    F   198_B      F   198_B     2.038     0    0.050   1.249     6.425   66.786   49.134
LGA    A   199_B      A   199_B     2.099     0    0.030   0.063     2.222   64.762   66.381
LGA    I   200_B      I   200_B     1.888     0    0.042   1.398     3.717   68.810   67.560
LGA    F   201_B      F   201_B     2.282     0    0.032   0.858     3.007   64.762   68.009
LGA    A   202_B      A   202_B     2.351     0    0.035   0.051     2.365   64.762   64.762
LGA    C   203_B      C   203_B     1.962     0    0.118   0.845     1.992   72.857   75.794
LGA    L   204_B      L   204_B     2.225     0    0.057   0.095     4.282   68.810   58.690
LGA    Q   205_B      Q   205_B     2.692     0    0.072   1.170     4.674   60.952   56.349
LGA    R   206_B      R   206_B     2.559     0    0.173   1.052    10.095   64.881   35.022
LGA    T   207_B      T   207_B     1.682     0    0.297   0.261     4.173   75.119   62.517
LGA    G   208_B      G   208_B     2.782     0    0.137   0.137     3.121   61.190   61.190
LGA    S   209_B      S   209_B     1.357     0    0.284   0.304     2.559   71.071   71.667
LGA    P   210_B      P   210_B     2.728     0    0.129   0.166     3.512   64.881   59.660
LGA    V   211_B      V   211_B     1.089     0    0.107   1.137     3.601   85.952   77.347
LGA    M   212_B      M   212_B     0.468     0    0.039   0.618     3.923   95.238   85.952
LGA    V   213_B      V   213_B     0.392     0    0.085   0.170     0.664   97.619   95.918
LGA    Y   214_B      Y   214_B     0.228     0    0.085   0.101     1.375  100.000   92.937
LGA    P   215_B      P   215_B     0.670     0    0.485   0.697     3.006   80.476   82.245
LGA    G   216_B      G   216_B     0.603     0    0.025   0.025     0.678   90.476   90.476
LGA    S   217_B      S   217_B     1.163     0    0.060   0.695     2.253   85.952   81.667
LGA    F   218_B      F   218_B     1.097     0    0.076   0.145     1.938   81.429   77.532
LGA    S   219_B      S   219_B     0.653     0    0.036   0.594     1.891   90.476   87.540
LGA    T   220_B      T   220_B     0.766     0    0.023   1.004     3.349   90.476   81.020
LGA    L   221_B      L   221_B     0.669     0    0.085   0.125     1.366   92.857   88.274
LGA    S   222_B      S   222_B     0.443     0    0.036   0.725     3.163  100.000   90.079
LGA    E   223_B      E   223_B     0.566     0    0.034   0.173     1.374   92.857   88.519
LGA    I   224_B      I   224_B     0.888     0    0.036   1.162     3.348   90.476   75.060
LGA    A   225_B      A   225_B     0.449     0    0.061   0.063     0.672   95.238   94.286
LGA    Q   226_B      Q   226_B     0.875     0    0.208   0.791     3.109   83.810   71.958
LGA    G   227_B      G   227_B     1.129     0    0.171   0.171     1.367   83.690   83.690
LGA    K   228_B      K   228_B     2.078     0    0.288   0.977     9.228   70.833   41.640
LGA    H   229_B      H   229_B     1.940     0    0.528   1.318     9.484   72.857   41.429
LGA    P   230_B      P   230_B     4.103     0    0.033   0.213     7.538   43.452   31.497
LGA    G   231_B      G   231_B     6.001     0    0.717   0.717     6.018   21.786   21.786
LGA    A   232_B      A   232_B     6.675     0    0.107   0.124     7.712   14.286   12.857
LGA    P   233_B      P   233_B     8.667     0    0.684   0.662    11.110    4.881    3.197
LGA    E   234_B      E   234_B     7.224     0    0.565   0.858     7.452   12.857   14.392
LGA    E   235_B      E   235_B     9.367     0    0.046   0.989    15.650    2.857    1.270
LGA    L   236_B      L   236_B    11.555     0    0.102   1.007    17.479    0.000    0.000
LGA    R   237_B      R   237_B     9.547     0    0.062   0.578    14.652    2.738    1.126
LGA    D   238_B      D   238_B     3.883     0    0.704   1.244     5.300   44.167   47.976
LGA    L   239_B      L   239_B     3.479     0    0.057   1.050     5.347   55.714   46.667
LGA    I   240_B      I   240_B     1.052     0    0.116   0.939     3.835   75.119   71.607
LGA    V   241_B      V   241_B     0.947     0    0.092   0.122     1.654   88.214   84.082
LGA    V   242_B      V   242_B     0.487     0    0.140   0.134     0.590   95.238   95.918
LGA    S   243_B      S   243_B     1.025     0    0.189   0.239     1.456   81.429   81.429
LGA    L   244_B      L   244_B     0.921     0    0.053   0.067     1.219   83.690   85.952
LGA    H   245_B      H   245_B     1.212     0    0.130   1.153     4.964   83.690   66.524
LGA    L   246_B      L   246_B     1.731     0    0.086   1.152     4.978   68.929   58.929
LGA    K   247_B      K   247_B     1.739     0    0.068   1.352     4.571   79.286   60.688
LGA    G   248_B      G   248_B     1.275     0    0.539   0.539     3.817   67.619   67.619

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      226     904    904  100.00    1803   1803  100.00               226
SUMMARY(RMSD_GDC):     3.161          3.074                  3.966           71.648   64.224

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  249  226    4.0    201    1.69    74.336    72.048    11.210

LGA_LOCAL      RMSD:   1.693  Number of atoms:  201  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.258  Number of assigned atoms:  226 
Std_ASGN_ATOMS RMSD:   3.161  Standard rmsd on all 226 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.831959 * X  +   0.038155 * Y  +   0.553524 * Z  + -170.176651
  Y_new =   0.478472 * X  +   0.455751 * Y  +  -0.750570 * Z  + 128.454300
  Z_new =  -0.280907 * X  +   0.889289 * Y  +   0.360910 * Z  + -117.201241 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.521921  0.284739  1.185265   [DEG:   29.9039   16.3143   67.9107 ]
ZXZ:  0.635434  1.201553 -0.305959   [DEG:   36.4077   68.8439  -17.5302 ]
 
# END of job
