
#######################################################
#                                                     #
#                        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  157 ( 1212),  selected  157 , name one
# Molecule2: number of CA atoms  239 ( 1855),  selected  157 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    52     147_A - 198_A       4.97    21.84
  LONGEST_CONTINUOUS_SEGMENT:    52     148_A - 199_A       4.88    21.79
  LONGEST_CONTINUOUS_SEGMENT:    52     149_A - 200_A       4.99    21.72
  LCS_AVERAGE:     15.57

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    25     172_A - 196_A       1.93    22.41
  LCS_AVERAGE:      4.95

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    18     178_A - 195_A       0.95    22.45
  LONGEST_CONTINUOUS_SEGMENT:    18     179_A - 196_A       0.98    22.49
  LCS_AVERAGE:      2.94

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  157
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     G    64_A     G    64_A      3    3   42      0    3    8   13   19   27   47   54   63   68   73   77   81   86   88   90   93   97   99  102 
LCS_GDT     T    65_A     T    65_A      3   10   42      3    3    3    8   17   33   52   59   67   73   75   79   81   86   88   90   93   97   99  102 
LCS_GDT     T    66_A     T    66_A      3   14   42      4    5   14   24   44   56   61   65   69   73   76   79   81   86   88   90   93   97   99  102 
LCS_GDT     G    67_A     G    67_A      9   16   42      4   21   34   42   50   53   61   65   69   73   76   79   81   86   88   90   93   97   99  102 
LCS_GDT     R    68_A     R    68_A      9   16   42     22   33   40   45   52   56   61   65   69   73   76   79   81   86   88   90   93   97   99  102 
LCS_GDT     A    69_A     A    69_A      9   16   42     22   33   40   45   52   56   61   65   69   73   76   79   81   86   88   90   93   97   99  102 
LCS_GDT     L    70_A     L    70_A      9   16   42     22   33   40   45   52   56   61   65   69   73   76   79   81   86   88   90   93   97   99  102 
LCS_GDT     D    71_A     D    71_A      9   16   42     22   33   40   45   52   56   61   65   69   73   76   79   81   86   88   90   93   97   99  102 
LCS_GDT     L    72_A     L    72_A      9   16   42     22   33   40   45   52   56   61   65   69   73   76   79   81   86   88   90   93   97   99  102 
LCS_GDT     G    73_A     G    73_A      9   16   42     22   33   40   45   52   56   61   65   69   73   76   79   81   86   88   90   93   97   99  102 
LCS_GDT     C    74_A     C    74_A      9   16   42     22   33   40   45   52   56   61   65   69   73   76   79   81   86   88   90   93   97   99  102 
LCS_GDT     A    75_A     A    75_A      9   16   42      4   25   40   45   52   56   61   65   69   73   76   79   81   86   88   90   93   97   99  102 
LCS_GDT     V    76_A     V    76_A      9   16   42      3   23   40   45   52   56   61   65   69   73   76   79   81   86   88   90   93   97   99  102 
LCS_GDT     G    77_A     G    77_A      9   16   42      3   14   38   45   52   56   61   65   69   73   76   79   81   86   88   90   93   97   99  102 
LCS_GDT     R    78_A     R    78_A      9   16   42      3   13   38   45   52   56   61   65   69   73   76   79   81   86   88   90   93   97   99  102 
LCS_GDT     S    79_A     S    79_A      8   16   42      3    7   23   45   52   56   61   65   69   73   76   79   81   86   88   90   93   97   99  102 
LCS_GDT     S    80_A     S    80_A      8   16   42      4    7   10   15   51   56   61   65   69   73   76   79   81   86   88   90   93   97   99  102 
LCS_GDT     F    81_A     F    81_A      8   16   42      4    7   29   42   52   56   61   65   69   73   76   79   81   86   88   90   93   97   99  102 
LCS_GDT     E    82_A     E    82_A      8   16   42      4    7   10   45   52   56   61   65   69   73   76   79   81   86   88   90   93   97   99  102 
LCS_GDT     L    83_A     L    83_A      8   13   42      4    7   10   12   14   27   53   62   69   73   76   79   81   86   88   90   93   97   99  102 
LCS_GDT     A    84_A     A    84_A      8   13   42      4    7   10   12   13   18   34   54   69   73   76   79   81   86   88   90   93   97   99  102 
LCS_GDT     R    85_A     R    85_A      8   13   42      4    7   10   12   40   56   61   65   69   73   76   79   81   86   88   90   93   97   99  102 
LCS_GDT     R    86_A     R    86_A      8   13   42      3    5   10   22   46   56   61   65   69   73   76   79   81   86   88   90   93   97   99  102 
LCS_GDT     F    87_A     F    87_A      4   12   42      3    4    6   21   39   54   61   65   69   73   76   79   81   86   88   90   93   97   99  102 
LCS_GDT     D    88_A     D    88_A      5   12   42      3    4   13   21   36   45   56   59   66   71   76   79   81   85   88   89   93   97   99  102 
LCS_GDT     E    89_A     E    89_A      8   12   42     11   29   38   45   52   56   61   65   69   73   76   79   81   86   88   90   93   97   99  102 
LCS_GDT     V    90_A     V    90_A      8   12   42     22   33   40   45   52   56   61   65   69   73   76   79   81   86   88   90   93   97   99  102 
LCS_GDT     I    91_A     I    91_A      8   12   42     19   33   40   45   52   56   61   65   69   73   76   79   81   86   88   90   93   97   99  102 
LCS_GDT     G    92_A     G    92_A      8   12   42     22   33   40   45   52   56   61   65   69   73   76   79   81   86   88   90   93   97   99  102 
LCS_GDT     I    93_A     I    93_A      8   12   42     22   33   40   45   52   56   61   65   69   73   76   79   81   86   88   90   93   97   99  102 
LCS_GDT     D    94_A     D    94_A      8   12   42     22   33   40   45   52   56   61   65   69   73   76   79   81   86   88   90   93   97   99  102 
LCS_GDT     L    95_A     L    95_A      8   12   42     15   33   40   45   52   56   61   65   69   73   76   79   81   86   88   90   93   97   99  102 
LCS_GDT     S    96_A     S    96_A      8   12   42     19   33   40   45   52   56   61   65   69   73   76   79   81   86   88   90   93   97   99  102 
LCS_GDT     R    97_A     R    97_A      4   12   42      3    4    4    9   39   56   61   65   69   73   76   79   81   86   88   90   93   97   99  102 
LCS_GDT     R    98_A     R    98_A      4   12   42      3    4   12   45   52   56   61   65   69   73   76   79   81   86   88   90   93   97   99  102 
LCS_GDT     F    99_A     F    99_A      5   11   42      4    4    9   28   37   53   61   65   69   73   76   79   81   86   88   90   93   97   99  102 
LCS_GDT     I   100_A     I   100_A      5    5   42      4    4    5    5   25   42   57   64   69   73   76   79   81   86   88   90   93   97   99  102 
LCS_GDT     D   101_A     D   101_A      5    5   42      4    4    5    5    5   34   49   59   65   73   76   79   81   86   88   90   93   97   99  102 
LCS_GDT     S   102_A     S   102_A      5    5   42      4    4    5    5    5   10   12   16   30   59   66   77   81   86   88   90   93   97   99  102 
LCS_GDT     A   103_A     A   103_A      5    5   42      3    3    6   12   16   25   33   42   51   59   68   74   79   86   88   90   93   97   99  102 
LCS_GDT     T   104_A     T   104_A      3    4   42      3    3    4   14   15   20   21   36   41   49   60   69   76   80   84   90   93   97   99  102 
LCS_GDT     R   105_A     R   105_A      3    4   42      3    3    4    4    6    9   11   12   15   17   18   23   32   39   51   69   70   83   87   94 
LCS_GDT     L   106_A     L   106_A      5    5   17      4    4    5    6    7    7    7    8   10   17   18   20   28   39   40   45   51   54   61   67 
LCS_GDT     A   107_A     A   107_A      5    5   17      4    4    6    7    7    7    8   12   15   17   18   19   21   22   25   29   32   40   53   64 
LCS_GDT     E   108_A     E   108_A      5    7   17      4    4    5    6    7    8   11   12   15   17   18   19   21   22   24   29   32   35   44   47 
LCS_GDT     Q   109_A     Q   109_A      5    7   17      4    4    5    6    7    9   11   12   15   17   18   19   21   22   24   29   32   42   45   49 
LCS_GDT     G   110_A     G   110_A      5    7   17      3    4    6    7    7    9   11   12   15   17   18   28   31   33   34   37   39   42   45   49 
LCS_GDT     Q   111_A     Q   111_A      4    7   17      2    4    6    7    7    8    8    9   11   14   17   19   27   29   34   37   39   42   43   47 
LCS_GDT     L   112_A     L   112_A      4    7   17      3    3    4    7    7    8    8    9   12   13   15   17   17   20   22   29   31   34   37   40 
LCS_GDT     Q   113_A     Q   113_A      4    7   17      3    4    6    7    7    8    8   10   12   13   15   17   17   21   22   24   29   30   34   36 
LCS_GDT     Y   114_A     Y   114_A      4    7   17      4    4    6    7    7    8    8   10   12   13   15   17   19   22   25   29   32   33   36   36 
LCS_GDT     Q   115_A     Q   115_A      4    6   17      4    4    5    5    6    8    8   10   12   13   15   17   19   22   25   29   32   33   36   36 
LCS_GDT     V   116_A     V   116_A      4    6   17      4    4    5    5    5    7    8   10   12   13   15   17   19   22   25   29   32   33   36   36 
LCS_GDT     T   117_A     T   117_A      4    6   17      4    4    5    5    5    7    8   10   12   13   15   17   19   22   25   29   32   33   36   36 
LCS_GDT     L   118_A     L   118_A      3    6   17      3    3    5    5    6    7    8   10   12   13   15   17   19   22   25   29   32   33   36   36 
LCS_GDT     E   119_A     E   119_A      3    6   17      3    3    4    4    5    6    7    8   10   13   14   17   19   22   25   29   32   33   36   36 
LCS_GDT     G   120_A     G   120_A      3    6   17      3    3    4    4    5    6    7    8    9   10   14   16   19   22   25   29   32   33   36   36 
LCS_GDT     E   121_A     E   121_A      3    6   17      3    3    3    4    5    6    7    8    9   11   14   17   19   22   25   29   32   33   36   36 
LCS_GDT     L   122_A     L   122_A      3    5   17      3    3    3    4    5    6    7    8   10   12   14   17   18   21   25   29   32   33   36   36 
LCS_GDT     I   123_A     I   123_A      3    5   16      3    4    6    7    7    7    8    9    9   12   14   17   17   20   25   29   32   33   36   36 
LCS_GDT     E   124_A     E   124_A      3    5   13      3    3    3    4    5    6    7    7    8    9   12   14   17   20   21   23   25   28   36   36 
LCS_GDT     R   125_A     R   125_A      3    5   13      3    3    3    4    5    6    7    7    9    9   12   12   20   22   22   24   27   32   33   33 
LCS_GDT     R   126_A     R   126_A      3    5   16      3    3    3    4    4    6    7    7   10   10   17   19   20   22   22   24   27   32   33   33 
LCS_GDT     T   127_A     T   127_A      3    5   16      3    3    3    4    4    5    7   10   12   15   17   19   20   22   22   24   27   32   33   33 
LCS_GDT     A   128_A     A   128_A      4    7   16      3    3    5    6    7    8   10   10   12   15   17   19   20   22   22   24   27   32   33   33 
LCS_GDT     D   129_A     D   129_A      4    7   16      3    3    5    6    7    8   10   10   11   15   17   19   20   22   22   24   27   32   33   33 
LCS_GDT     L   130_A     L   130_A      4    7   16      3    3    5    6    7    8   10   10   11   15   17   19   20   22   24   24   27   32   33   36 
LCS_GDT     A   131_A     A   131_A      4    7   17      3    4    5    5    6    8   10   13   15   17   18   19   20   23   24   25   29   33   37   39 
LCS_GDT     A   132_A     A   132_A      4    8   17      3    4    6    9   10   10   12   13   16   18   18   19   20   22   24   25   29   32   33   34 
LCS_GDT     L   133_A     L   133_A      4    8   17      3    4    5    5    6    8   12   13   16   18   18   19   20   22   24   24   29   32   33   33 
LCS_GDT     E   134_A     E   134_A      5    8   17      4    4    6    9   10   10   12   13   16   18   18   19   20   23   24   25   29   33   37   38 
LCS_GDT     L   135_A     L   135_A      5    8   17      4    4    6    9   10   10   12   13   16   18   18   19   20   23   25   28   33   37   44   48 
LCS_GDT     S   136_A     S   136_A      5    8   17      4    4    6    9   10   10   12   13   16   18   18   19   20   23   25   28   33   37   44   48 
LCS_GDT     N   137_A     N   137_A      5    8   17      4    4    6    9   10   10   12   13   16   18   18   19   20   23   27   30   35   37   42   44 
LCS_GDT     T   138_A     T   138_A      5    8   17      3    4    6    9   10   10   12   13   16   18   18   19   20   32   35   37   40   47   51   56 
LCS_GDT     A   139_A     A   139_A      5    8   17      3    3    6    9   10   10   12   13   16   18   18   23   27   33   36   39   49   62   69   75 
LCS_GDT     G   140_A     G   140_A      4    8   17      3    3    4    6    7    9   12   17   23   25   30   39   51   54   61   69   77   83   90   95 
LCS_GDT     R   141_A     R   141_A      6    8   17      3    5    8    8   15   17   20   24   32   42   52   60   72   74   81   88   92   97   99  102 
LCS_GDT     T   142_A     T   142_A      6    8   17      4    5    6    6   15   17   20   24   32   46   52   63   72   79   82   88   93   97   99  102 
LCS_GDT     R   143_A     R   143_A      6    8   17      4    5    6    6    7    9   19   25   39   48   56   66   72   79   83   88   93   97   99  102 
LCS_GDT     F   144_A     F   144_A      6    8   17      4    5    6    6    7    8   10   29   35   46   56   65   71   79   85   89   93   97   99  102 
LCS_GDT     Q   145_A     Q   145_A      6    8   17      4    5    6    6    7    8   10   11   13   16   43   59   68   75   83   88   92   97   99  102 
LCS_GDT     V   146_A     V   146_A      6    8   51      3    5    6    6    7    8   10   11   13   16   18   46   65   75   82   88   90   93   97   99 
LCS_GDT     G   147_A     G   147_A      4    8   52      3    3    4    7    8    8   10   12   22   28   34   59   72   76   80   84   88   92   96   98 
LCS_GDT     D   148_A     D   148_A      4    4   52      3    3    4   10   14   17   21   43   46   59   64   71   76   77   82   84   89   92   96   98 
LCS_GDT     A   149_A     A   149_A      6    7   52      4    4    6    8   14   19   24   29   43   52   58   62   72   76   80   83   86   92   96   98 
LCS_GDT     C   150_A     C   150_A      6    7   52      3    5    6   10   14   19   24   29   36   52   57   60   67   74   76   81   85   87   90   96 
LCS_GDT     A   151_A     A   151_A      6    7   52      3    5    9   11   25   34   36   51   56   63   67   72   76   79   83   88   89   92   96   99 
LCS_GDT     L   152_A     L   152_A      6    7   52      3    5    7   15   27   42   51   61   64   72   75   78   81   86   88   90   93   97   99  102 
LCS_GDT     D   153_A     D   153_A      6    7   52      3    5    6   10   19   34   49   59   64   70   75   78   81   86   88   90   93   97   99  102 
LCS_GDT     D   154_A     D   154_A      6    7   52      3    5    6    9   24   38   52   60   69   73   76   79   81   86   88   90   93   97   99  102 
LCS_GDT     T   155_A     T   155_A      6    7   52      3    5    6    8   12   24   32   42   53   64   73   77   81   85   88   90   93   97   99  102 
LCS_GDT     L   156_A     L   156_A      3    6   52      3    3    4    7    8   10   17   22   24   33   66   69   76   81   86   89   92   97   99  102 
LCS_GDT     G   157_A     G   157_A      3   10   52      3    3    4   14   24   39   53   59   68   73   76   79   81   86   88   90   93   97   99  102 
LCS_GDT     R   158_A     R   158_A      8   12   52     11   23   34   45   52   56   61   65   69   73   76   79   81   86   88   90   93   97   99  102 
LCS_GDT     F   159_A     F   159_A      8   12   52     22   33   40   45   52   56   61   65   69   73   76   79   81   86   88   90   93   97   99  102 
LCS_GDT     D   160_A     D   160_A      8   12   52     22   33   40   45   52   56   61   65   69   73   76   79   81   86   88   90   93   97   99  102 
LCS_GDT     L   161_A     L   161_A      8   12   52     22   33   40   45   52   56   61   65   69   73   76   79   81   86   88   90   93   97   99  102 
LCS_GDT     I   162_A     I   162_A      8   12   52     22   33   40   45   52   56   61   65   69   73   76   79   81   86   88   90   93   97   99  102 
LCS_GDT     F   163_A     F   163_A      8   12   52     22   33   40   45   52   56   61   65   69   73   76   79   81   86   88   90   93   97   99  102 
LCS_GDT     A   164_A     A   164_A      8   12   52     22   33   40   45   52   56   61   65   69   73   76   79   81   86   88   90   93   97   99  102 
LCS_GDT     G   165_A     G   165_A      8   12   52      3   13   35   45   52   56   61   65   69   73   76   79   81   86   88   90   93   97   99  102 
LCS_GDT     N   166_A     N   166_A      4   12   52      3    6   12   32   46   53   60   63   68   73   76   79   81   86   88   90   93   97   99  102 
LCS_GDT     L   167_A     L   167_A      3   12   52      6   18   38   45   52   56   61   65   69   73   76   79   81   86   88   90   93   97   99  102 
LCS_GDT     I   168_A     I   168_A      3   12   52      3   33   40   45   52   56   61   65   69   73   76   79   81   86   88   90   93   97   99  102 
LCS_GDT     D   169_A     D   169_A      3   12   52      3   29   38   45   51   55   61   64   69   73   76   79   81   86   88   90   93   97   99  102 
LCS_GDT     R   170_A     R   170_A      3    9   52      3    3    3    6   10   23   34   39   48   60   71   74   80   86   88   90   93   97   99  102 
LCS_GDT     L   171_A     L   171_A      6    9   52      3    5    6    7    9   15   20   24   34   43   56   66   76   78   82   87   93   97   99  102 
LCS_GDT     P   172_A     P   172_A      6   25   52      4    5   17   24   36   48   54   63   66   69   76   79   81   86   88   90   93   97   99  102 
LCS_GDT     D   173_A     D   173_A      6   25   52      3   13   28   43   49   56   61   65   69   73   76   79   81   86   88   90   93   97   99  102 
LCS_GDT     P   174_A     P   174_A      6   25   52      4    5    6    8   17   29   48   56   64   69   73   79   81   86   88   90   93   97   99  102 
LCS_GDT     A   175_A     A   175_A      6   25   52      4    5    6    8   17   52   59   64   68   70   76   79   81   86   88   89   93   97   99  102 
LCS_GDT     A   176_A     A   176_A      6   25   52      4   19   28   45   50   56   61   65   69   73   76   79   81   86   88   90   93   97   99  102 
LCS_GDT     F   177_A     F   177_A      6   25   52     10   12   22   37   49   55   61   65   69   73   76   79   81   86   88   90   93   97   99  102 
LCS_GDT     L   178_A     L   178_A     18   25   52      8   33   40   45   52   56   61   65   69   73   76   79   81   86   88   90   93   97   99  102 
LCS_GDT     A   179_A     A   179_A     18   25   52      3   12   36   45   52   56   61   65   69   73   76   79   81   86   88   90   93   97   99  102 
LCS_GDT     Q   180_A     Q   180_A     18   25   52      6   33   40   45   52   56   61   65   69   73   76   79   81   86   88   90   93   97   99  102 
LCS_GDT     L   181_A     L   181_A     18   25   52      5   21   40   45   52   56   61   65   69   73   76   79   81   86   88   90   93   97   99  102 
LCS_GDT     P   182_A     P   182_A     18   25   52      5   25   40   45   52   56   61   65   69   73   76   79   81   86   88   90   93   97   99  102 
LCS_GDT     A   183_A     A   183_A     18   25   52     15   33   40   45   52   56   61   65   69   73   76   79   81   86   88   90   93   97   99  102 
LCS_GDT     L   184_A     L   184_A     18   25   52     22   33   40   45   52   56   61   65   69   73   76   79   81   86   88   90   93   97   99  102 
LCS_GDT     V   185_A     V   185_A     18   25   52     22   33   40   45   52   56   61   65   69   73   76   79   81   86   88   90   93   97   99  102 
LCS_GDT     R   186_A     R   186_A     18   25   52     22   33   40   45   52   56   61   65   69   73   76   79   81   86   88   90   93   97   99  102 
LCS_GDT     P   187_A     P   187_A     18   25   52     22   33   40   45   52   56   61   65   69   73   76   79   81   86   88   90   93   97   99  102 
LCS_GDT     G   188_A     G   188_A     18   25   52     12   32   40   45   52   56   61   65   69   73   76   79   81   86   88   90   93   97   99  102 
LCS_GDT     G   189_A     G   189_A     18   25   52     22   33   40   45   52   56   61   65   69   73   76   79   81   86   88   90   93   97   99  102 
LCS_GDT     L   190_A     L   190_A     18   25   52     22   33   40   45   52   56   61   65   69   73   76   79   81   86   88   90   93   97   99  102 
LCS_GDT     L   191_A     L   191_A     18   25   52     22   33   40   45   52   56   61   65   69   73   76   79   81   86   88   90   93   97   99  102 
LCS_GDT     M   192_A     M   192_A     18   25   52     19   33   40   45   52   56   61   65   69   73   76   79   81   86   88   90   93   97   99  102 
LCS_GDT     I   193_A     I   193_A     18   25   52     10   33   40   45   52   56   61   65   69   73   76   79   81   86   88   90   93   97   99  102 
LCS_GDT     T   194_A     T   194_A     18   25   52     10   29   40   45   52   56   61   65   69   73   76   79   81   86   88   90   93   97   99  102 
LCS_GDT     S   195_A     S   195_A     18   25   52      8   26   40   45   52   56   61   65   69   73   76   79   81   86   88   90   93   97   99  102 
LCS_GDT     P   196_A     P   196_A     18   25   52     10   20   39   45   52   56   61   65   69   73   76   79   81   86   88   90   93   97   99  102 
LCS_GDT     Y   197_A     Y   197_A     11   24   52      3    4    6   11   16   41   53   63   69   73   76   79   81   86   88   90   93   97   99  102 
LCS_GDT     T   198_A     T   198_A     11   24   52      5   12   25   36   46   55   61   65   69   73   76   79   81   86   88   90   93   97   99  102 
LCS_GDT     L   199_A     L   199_A      3   24   52      3    4    5   12   30   50   61   65   69   73   76   79   81   86   88   90   93   97   99  102 
LCS_GDT     L   200_A     L   200_A      4    5   52      3    4    4    6    7   15   30   41   44   62   69   73   78   83   87   90   93   97   99  102 
LCS_GDT     P   201_A     P   201_A      4    5   51      3    4    4    4    5    5   15   18   21   30   40   55   64   71   74   80   88   92   98  102 
LCS_GDT     E   202_A     E   202_A      4    5   49      3    4    5    5    6    8   11   13   20   24   28   33   42   57   67   72   76   81   86   92 
LCS_GDT     F   203_A     F   203_A      4    5   47      3    4    5    5    5    7   10   11   14   16   20   28   31   33   35   41   49   55   60   75 
LCS_GDT     T   204_A     T   204_A      4    4   28      3    4    5    5    6    8   12   15   22   25   28   33   41   52   54   62   71   78   83   94 
LCS_GDT     P   205_A     P   205_A      5    6   28      3    5    5    6    7   10   14   18   23   33   37   56   61   65   71   79   84   92   99  102 
LCS_GDT     R   206_A     R   206_A      5    6   28      4    5    5    6    7    9   11   12   15   22   28   33   39   51   75   81   87   92   96  102 
LCS_GDT     E   207_A     E   207_A      5    6   28      4    5    5    7    7    9   11   15   21   25   28   35   46   52   71   77   79   84   96   98 
LCS_GDT     R   208_A     R   208_A      5    6   28      4    5    5    6    8   13   19   26   32   46   58   66   72   80   84   90   93   97   99  102 
LCS_GDT     W   209_A     W   209_A      5    6   26      4    5    5    7   12   24   34   47   58   67   71   77   81   86   88   90   93   97   99  102 
LCS_GDT     I   210_A     I   210_A      3    6   22      3    3    4    7   12   24   34   48   58   67   71   77   81   86   88   90   93   97   99  102 
LCS_GDT     G   211_A     G   211_A      3    5   22      3    3    3    7   11   14   20   36   45   57   65   70   77   83   87   90   93   97   99  102 
LCS_GDT     G   212_A     G   212_A      3    5   22      3    3    3    4   14   16   23   31   36   41   47   58   62   71   81   83   88   92   96   99 
LCS_GDT     F   213_A     F   213_A      3    5   22      3    3    3    7    8    8   11   12   15   17   18   23   29   32   54   60   66   83   88   93 
LCS_GDT     E   214_A     E   214_A      4    7   22      1    3    5    7    8    8   11   12   15   17   19   25   29   32   39   46   47   60   83   87 
LCS_GDT     R   215_A     R   215_A      4    7   22      3    3    4    7    8    8   11   12   15   17   18   24   29   32   54   60   80   85   88   93 
LCS_GDT     N   216_A     N   216_A      5    7   22      3    4    5    6    6    7    8   10   13   15   17   18   22   26   27   30   36   38   42   43 
LCS_GDT     G   217_A     G   217_A      5    7   22      3    4    5    6    6    8   11   12   14   15   17   18   22   26   29   33   36   38   41   43 
LCS_GDT     Q   218_A     Q   218_A      5    7   22      3    4    5    6    6    8   10   12   15   17   18   23   29   32   34   35   39   41   47   49 
LCS_GDT     P   219_A     P   219_A      5    7   22      3    4    5    7    8    8   10   12   17   18   23   26   31   35   41   47   56   67   73   84 
LCS_GDT     V   220_A     V   220_A      5    7   19      3    3    5    6    6    9   10   13   17   19   25   31   41   53   68   75   87   92   96  100 
LCS_AVERAGE  LCS_A:   7.82  (   2.94    4.95   15.57 )

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     22     33     40     45     52     56     61     65     69     73     76     79     81     86     88     90     93     97     99    102 
GDT PERCENT_AT   9.21  13.81  16.74  18.83  21.76  23.43  25.52  27.20  28.87  30.54  31.80  33.05  33.89  35.98  36.82  37.66  38.91  40.59  41.42  42.68
GDT RMS_LOCAL    0.27   0.59   0.87   1.05   1.35   1.56   1.84   2.08   2.33   2.69   2.83   3.01   3.18   3.77   3.88   4.34   4.56   4.86   5.05   5.43
GDT RMS_ALL_AT  22.55  22.29  22.26  22.26  22.17  22.12  22.15  22.14  22.16  22.09  22.09  22.07  22.06  21.75  21.73  21.55  21.44  21.32  21.19  21.16

# Checking swapping
#   possible swapping detected:  F    81_A      F    81_A
#   possible swapping detected:  F    87_A      F    87_A
#   possible swapping detected:  D    88_A      D    88_A
#   possible swapping detected:  D    94_A      D    94_A
#   possible swapping detected:  F    99_A      F    99_A
#   possible swapping detected:  E   108_A      E   108_A
#   possible swapping detected:  Y   114_A      Y   114_A
#   possible swapping detected:  E   119_A      E   119_A
#   possible swapping detected:  E   121_A      E   121_A
#   possible swapping detected:  E   124_A      E   124_A
#   possible swapping detected:  D   148_A      D   148_A
#   possible swapping detected:  D   154_A      D   154_A
#   possible swapping detected:  F   159_A      F   159_A
#   possible swapping detected:  D   169_A      D   169_A
#   possible swapping detected:  D   173_A      D   173_A
#   possible swapping detected:  E   214_A      E   214_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G    64_A      G    64_A     7.447     0    0.130   0.130     7.447   15.833   15.833
LGA    T    65_A      T    65_A     6.619     0    0.593   1.257     9.789   13.452    8.639
LGA    T    66_A      T    66_A     3.824     0    0.472   0.887     6.635   59.524   44.150
LGA    G    67_A      G    67_A     3.701     0    0.594   0.594     4.095   45.119   45.119
LGA    R    68_A      R    68_A     1.204     0    0.087   1.079     6.362   79.286   59.481
LGA    A    69_A      A    69_A     1.083     0    0.096   0.131     1.186   83.690   83.238
LGA    L    70_A      L    70_A     0.757     0    0.106   0.162     1.530   86.071   87.143
LGA    D    71_A      D    71_A     0.802     0    0.015   0.108     1.014   90.476   89.345
LGA    L    72_A      L    72_A     1.121     0    0.018   0.054     1.504   79.286   80.357
LGA    G    73_A      G    73_A     1.664     0    0.070   0.070     1.805   75.000   75.000
LGA    C    74_A      C    74_A     1.430     0    0.636   0.558     3.528   69.762   75.159
LGA    A    75_A      A    75_A     0.702     0    0.414   0.572     3.647   74.286   79.429
LGA    V    76_A      V    76_A     1.359     0    0.059   0.936     4.022   75.119   70.272
LGA    G    77_A      G    77_A     2.064     0    0.282   0.282     2.064   72.976   72.976
LGA    R    78_A      R    78_A     1.910     0    0.048   1.238    10.345   77.381   40.996
LGA    S    79_A      S    79_A     2.517     0    0.078   0.605     5.223   59.048   52.063
LGA    S    80_A      S    80_A     3.021     0    0.131   0.170     3.791   53.571   51.270
LGA    F    81_A      F    81_A     2.424     0    0.034   1.241    10.043   64.762   33.983
LGA    E    82_A      E    82_A     2.405     0    0.073   0.781     5.368   57.381   46.561
LGA    L    83_A      L    83_A     4.970     0    0.029   1.412     9.830   30.595   17.917
LGA    A    84_A      A    84_A     5.723     0    0.082   0.093     6.264   23.810   22.476
LGA    R    85_A      R    85_A     3.515     3    0.194   0.649     4.082   50.595   36.623
LGA    R    86_A      R    86_A     3.478     6    0.213   0.231     5.586   55.476   22.121
LGA    F    87_A      F    87_A     4.275     0    0.651   0.534    10.134   38.929   17.879
LGA    D    88_A      D    88_A     5.862     0    0.603   1.005    10.484   27.619   14.226
LGA    E    89_A      E    89_A     2.492     0    0.138   0.489     5.405   67.262   56.667
LGA    V    90_A      V    90_A     1.122     0    0.038   0.082     2.067   86.190   79.320
LGA    I    91_A      I    91_A     0.342     0    0.066   0.609     2.366   95.238   90.833
LGA    G    92_A      G    92_A     0.504     0    0.016   0.016     0.504   97.619   97.619
LGA    I    93_A      I    93_A     0.687     0    0.020   0.134     1.670   88.214   86.012
LGA    D    94_A      D    94_A     0.926     0    0.032   0.700     3.054   85.952   81.012
LGA    L    95_A      L    95_A     1.458     1    0.147   0.543     1.917   77.143   68.036
LGA    S    96_A      S    96_A     1.878     0    0.210   0.667     5.169   75.000   62.698
LGA    R    97_A      R    97_A     2.877     0    0.612   1.455     5.345   66.905   47.619
LGA    R    98_A      R    98_A     2.165     0    0.190   1.229     8.442   64.881   41.385
LGA    F    99_A      F    99_A     4.502     0    0.620   1.071     8.770   37.262   20.519
LGA    I   100_A      I   100_A     5.109     0    0.021   0.714    10.865   31.667   19.524
LGA    D   101_A      D   101_A     6.137     0    0.165   1.212     9.573   16.667    9.940
LGA    S   102_A      S   102_A     8.239     0    0.655   0.613     9.254    5.595    5.000
LGA    A   103_A      A   103_A     9.772     0    0.599   0.585    11.613    0.833    0.762
LGA    T   104_A      T   104_A    11.884     0    0.627   0.648    15.535    0.000    0.204
LGA    R   105_A      R   105_A    18.481     0    0.599   1.174    27.229    0.000    0.000
LGA    L   106_A      L   106_A    22.760     0    0.604   0.658    26.967    0.000    0.000
LGA    A   107_A      A   107_A    22.425     0    0.050   0.048    25.827    0.000    0.000
LGA    E   108_A      E   108_A    28.508     0    0.116   0.923    32.258    0.000    0.000
LGA    Q   109_A      Q   109_A    31.184     1    0.126   0.234    35.044    0.000    0.000
LGA    G   110_A      G   110_A    30.192     0    0.639   0.639    32.466    0.000    0.000
LGA    Q   111_A      Q   111_A    33.819     0    0.143   0.924    41.043    0.000    0.000
LGA    L   112_A      L   112_A    33.614     0    0.256   0.881    37.350    0.000    0.000
LGA    Q   113_A      Q   113_A    38.475     0    0.117   0.784    44.829    0.000    0.000
LGA    Y   114_A      Y   114_A    40.032     0    0.437   1.418    45.168    0.000    0.000
LGA    Q   115_A      Q   115_A    44.642     0    0.064   1.424    48.827    0.000    0.000
LGA    V   116_A      V   116_A    45.077     0    0.187   0.333    49.459    0.000    0.000
LGA    T   117_A      T   117_A    50.340     0    0.363   0.993    52.543    0.000    0.000
LGA    L   118_A      L   118_A    57.221     0    0.546   0.537    61.401    0.000    0.000
LGA    E   119_A      E   119_A    60.150     0    0.487   1.125    67.023    0.000    0.000
LGA    G   120_A      G   120_A    57.973     0    0.591   0.591    58.204    0.000    0.000
LGA    E   121_A      E   121_A    58.483     0    0.724   1.127    64.990    0.000    0.000
LGA    L   122_A      L   122_A    59.153     0    0.590   1.260    59.635    0.000    0.000
LGA    I   123_A      I   123_A    58.870     0    0.421   1.234    61.849    0.000    0.000
LGA    E   124_A      E   124_A    60.719     0    0.103   1.079    60.719    0.000    0.000
LGA    R   125_A      R   125_A    61.289     0    0.543   1.589    63.356    0.000    0.000
LGA    R   126_A      R   126_A    57.526     0    0.286   1.509    63.728    0.000    0.000
LGA    T   127_A      T   127_A    51.629     0    0.651   0.962    54.577    0.000    0.000
LGA    A   128_A      A   128_A    49.122     0    0.573   0.526    50.182    0.000    0.000
LGA    D   129_A      D   129_A    46.860     0    0.377   1.161    50.345    0.000    0.000
LGA    L   130_A      L   130_A    39.653     0    0.208   0.314    42.231    0.000    0.000
LGA    A   131_A      A   131_A    38.571     0    0.363   0.379    40.967    0.000    0.000
LGA    A   132_A      A   132_A    43.303     0    0.284   0.292    45.949    0.000    0.000
LGA    L   133_A      L   133_A    41.153     0    0.091   0.115    45.059    0.000    0.000
LGA    E   134_A      E   134_A    35.982     0    0.454   1.073    38.006    0.000    0.000
LGA    L   135_A      L   135_A    30.439     0    0.097   0.123    32.662    0.000    0.000
LGA    S   136_A      S   136_A    32.530     0    0.078   0.251    36.962    0.000    0.000
LGA    N   137_A      N   137_A    32.630     0    0.097   0.392    37.723    0.000    0.000
LGA    T   138_A      T   138_A    26.489     0    0.598   1.362    28.984    0.000    0.000
LGA    A   139_A      A   139_A    23.373     0    0.664   0.620    25.108    0.000    0.000
LGA    G   140_A      G   140_A    17.754     0    0.107   0.107    19.859    0.000    0.000
LGA    R   141_A      R   141_A    13.304     0    0.678   1.388    15.324    0.000    0.000
LGA    T   142_A      T   142_A    12.598     0    0.082   1.050    14.031    0.000    0.000
LGA    R   143_A      R   143_A    12.348     0    0.058   1.019    13.227    0.000    0.000
LGA    F   144_A      F   144_A    11.697     0    0.080   0.101    11.984    0.000    0.000
LGA    Q   145_A      Q   145_A    11.772     0    0.137   0.550    13.776    0.000    0.000
LGA    V   146_A      V   146_A    11.146     0    0.569   0.458    13.246    0.833    0.476
LGA    G   147_A      G   147_A     9.861     0    0.702   0.702    10.306    0.357    0.357
LGA    D   148_A      D   148_A     9.521     0    0.164   0.719    11.050    0.238    0.476
LGA    A   149_A      A   149_A    10.999     0    0.591   0.531    11.342    0.000    0.000
LGA    C   150_A      C   150_A    12.976     0    0.226   0.729    17.210    0.000    0.000
LGA    A   151_A      A   151_A    10.301     0    0.331   0.388    11.994    0.714    0.571
LGA    L   152_A      L   152_A     7.343     0    0.088   0.200     8.179    8.690   14.762
LGA    D   153_A      D   153_A     8.571     0    0.079   0.914    13.595   10.357    5.357
LGA    D   154_A      D   154_A     7.185     0    0.070   1.250     9.522    7.857    6.190
LGA    T   155_A      T   155_A     9.764     0    0.678   1.421    13.751    1.667    0.952
LGA    L   156_A      L   156_A    11.126     0    0.148   1.434    16.816    1.071    0.536
LGA    G   157_A      G   157_A     7.271     0    0.683   0.683     8.580   11.071   11.071
LGA    R   158_A      R   158_A     2.269     0    0.562   1.639    11.742   69.405   37.662
LGA    F   159_A      F   159_A     0.317     0    0.110   0.277     0.981   97.619   99.134
LGA    D   160_A      D   160_A     0.699     0    0.068   0.438     2.367   90.595   83.929
LGA    L   161_A      L   161_A     1.069     0    0.026   0.876     3.854   85.952   78.988
LGA    I   162_A      I   162_A     1.170     0    0.040   0.201     1.375   81.429   83.690
LGA    F   163_A      F   163_A     1.612     0    0.042   0.229     1.951   72.857   75.195
LGA    A   164_A      A   164_A     1.866     0    0.082   0.083     1.879   75.000   74.571
LGA    G   165_A      G   165_A     2.562     0    0.567   0.567     2.562   65.119   65.119
LGA    N   166_A      N   166_A     4.984     0    0.342   0.792    10.968   33.095   18.155
LGA    L   167_A      L   167_A     2.010     0    0.568   1.123     8.221   75.238   48.214
LGA    I   168_A      I   168_A     2.040     0    0.633   1.412     5.256   70.833   61.071
LGA    D   169_A      D   169_A     3.757     0    0.328   1.066     7.977   32.500   23.631
LGA    R   170_A      R   170_A     8.495     0    0.236   1.404    17.027    5.833    2.121
LGA    L   171_A      L   171_A     9.537     0    0.579   0.603    14.989    4.881    2.440
LGA    P   172_A      P   172_A     5.551     0    0.091   0.346     8.384   31.429   22.721
LGA    D   173_A      D   173_A     3.025     0    0.106   1.176     5.375   41.905   36.845
LGA    P   174_A      P   174_A     5.758     0    0.077   0.236     6.964   26.548   23.469
LGA    A   175_A      A   175_A     4.167     0    0.152   0.160     4.446   41.905   40.952
LGA    A   176_A      A   176_A     2.567     0    0.159   0.154     3.176   59.048   57.238
LGA    F   177_A      F   177_A     3.231     0    0.542   0.474     5.157   45.833   42.554
LGA    L   178_A      L   178_A     1.203     0    0.389   1.167     5.525   81.548   66.131
LGA    A   179_A      A   179_A     1.768     0    0.077   0.084     2.199   75.000   72.952
LGA    Q   180_A      Q   180_A     1.073     0    0.121   1.037     5.028   81.429   72.751
LGA    L   181_A      L   181_A     1.524     0    0.025   0.154     1.599   77.143   77.143
LGA    P   182_A      P   182_A     1.211     0    0.106   0.165     1.582   85.952   82.789
LGA    A   183_A      A   183_A     0.655     0    0.185   0.234     0.791   92.857   92.381
LGA    L   184_A      L   184_A     1.150     0    0.017   0.145     1.480   81.429   81.429
LGA    V   185_A      V   185_A     0.846     0    0.062   0.930     3.020   83.810   77.075
LGA    R   186_A      R   186_A     0.466     0    0.064   1.343    10.161   90.595   55.022
LGA    P   187_A      P   187_A     0.569     0    0.055   0.383     2.494   90.476   85.510
LGA    G   188_A      G   188_A     1.637     0    0.123   0.123     1.637   75.000   75.000
LGA    G   189_A      G   189_A     1.375     0    0.015   0.015     1.725   77.143   77.143
LGA    L   190_A      L   190_A     1.712     0    0.086   1.435     4.456   72.857   69.464
LGA    L   191_A      L   191_A     1.581     0    0.030   0.109     1.768   72.857   73.929
LGA    M   192_A      M   192_A     1.160     0    0.062   0.773     3.176   81.429   78.631
LGA    I   193_A      I   193_A     0.887     0    0.027   0.113     1.375   90.476   88.214
LGA    T   194_A      T   194_A     0.760     0    0.064   1.157     3.266   90.476   82.109
LGA    S   195_A      S   195_A     0.662     0    0.041   0.067     1.640   95.238   89.206
LGA    P   196_A      P   196_A     0.880     0    0.685   0.630     1.809   86.190   90.748
LGA    Y   197_A      Y   197_A     5.473     0    0.335   1.013    14.579   32.976   12.778
LGA    T   198_A      T   198_A     3.598     0    0.571   0.899     4.895   38.810   47.279
LGA    L   199_A      L   199_A     4.451     0    0.637   1.502     6.587   26.190   28.869
LGA    L   200_A      L   200_A    11.021     0    0.322   0.311    14.121    0.714    0.357
LGA    P   201_A      P   201_A    14.817     0    0.049   0.364    18.733    0.000    0.000
LGA    E   202_A      E   202_A    19.086     4    0.661   0.599    20.245    0.000    0.000
LGA    F   203_A      F   203_A    20.634     0    0.128   0.105    21.977    0.000    0.000
LGA    T   204_A      T   204_A    19.291     0    0.654   0.915    19.509    0.000    0.000
LGA    P   205_A      P   205_A    16.749     0    0.649   0.624    17.960    0.000    0.000
LGA    R   206_A      R   206_A    16.697     0    0.103   1.878    18.314    0.000    0.000
LGA    E   207_A      E   207_A    18.819     1    0.128   0.994    25.328    0.000    0.000
LGA    R   208_A      R   208_A    14.481     0    0.076   0.207    23.971    0.000    0.000
LGA    W   209_A      W   209_A    10.635     0    0.656   1.011    12.682    0.000    0.068
LGA    I   210_A      I   210_A    10.275     0    0.250   1.408    12.842    0.000    0.060
LGA    G   211_A      G   211_A    11.762     0    0.515   0.515    15.085    0.000    0.000
LGA    G   212_A      G   212_A    14.364     0    0.337   0.337    17.746    0.000    0.000
LGA    F   213_A      F   213_A    17.433     0    0.608   1.383    18.687    0.000    0.000
LGA    E   214_A      E   214_A    20.225     0    0.600   1.022    23.975    0.000    0.000
LGA    R   215_A      R   215_A    18.440     0    0.626   0.932    20.244    0.000    1.775
LGA    N   216_A      N   216_A    22.965     3    0.431   0.408    25.939    0.000    0.000
LGA    G   217_A      G   217_A    27.204     0    0.058   0.058    28.045    0.000    0.000
LGA    Q   218_A      Q   218_A    23.402     4    0.013   0.031    24.171    0.000    0.000
LGA    P   219_A      P   219_A    20.324     0    0.074   0.301    23.568    0.000    0.000
LGA    V   220_A      V   220_A    16.127     0    0.204   0.262    18.266    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      157     628    628  100.00    1189   1189  100.00               239
SUMMARY(RMSD_GDC):    17.679         17.651                 18.243           21.699   19.275

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  157  239    4.0     65    2.08    24.372    20.306     2.983

LGA_LOCAL      RMSD:   2.079  Number of atoms:   65  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  22.143  Number of assigned atoms:  157 
Std_ASGN_ATOMS RMSD:  17.679  Standard rmsd on all 157 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.050168 * X  +  -0.756701 * Y  +  -0.651833 * Z  + -10.047244
  Y_new =   0.924653 * X  +  -0.211493 * Y  +   0.316683 * Z  + -36.462467
  Z_new =  -0.377492 * X  +  -0.618607 * Y  +   0.689076 * Z  + -48.271595 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.516594  0.387087 -0.731562   [DEG:   86.8944   22.1784  -41.9154 ]
ZXZ: -2.023047  0.810584 -2.593685   [DEG: -115.9121   46.4430 -148.6072 ]
 
# END of job
