
#######################################################
#                                                     #
#                        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  162 ( 1268),  selected  162 , name one
# Molecule2: number of CA atoms  239 ( 1855),  selected  162 , 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:    64     138_A - 201_A       4.87    15.25
  LONGEST_CONTINUOUS_SEGMENT:    64     139_A - 202_A       4.66    15.53
  LONGEST_CONTINUOUS_SEGMENT:    64     140_A - 203_A       4.66    15.91
  LCS_AVERAGE:     19.18

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    56     142_A - 197_A       1.92    15.49
  LONGEST_CONTINUOUS_SEGMENT:    56     143_A - 198_A       1.94    15.78
  LCS_AVERAGE:     14.21

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    42      68_A - 109_A       0.97    15.97
  LCS_AVERAGE:      7.84

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  162
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    68_A     R    68_A     42   44   47     27   53   72   85   91   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     A    69_A     A    69_A     42   44   47     27   53   72   85   91   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     L    70_A     L    70_A     42   44   47     26   53   72   85   91   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     D    71_A     D    71_A     42   44   47     27   53   72   85   91   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     L    72_A     L    72_A     42   44   47     27   53   72   85   91   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     G    73_A     G    73_A     42   44   47     27   53   72   85   91   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     C    74_A     C    74_A     42   44   47     27   53   72   85   91   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     A    75_A     A    75_A     42   44   47     18   53   72   85   91   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     V    76_A     V    76_A     42   44   47     27   53   72   85   91   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     G    77_A     G    77_A     42   44   47     19   53   72   85   91   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     R    78_A     R    78_A     42   44   47      7   45   71   85   91   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     S    79_A     S    79_A     42   44   47      7   42   66   85   91   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     S    80_A     S    80_A     42   44   47      7   42   72   85   91   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     F    81_A     F    81_A     42   44   47     11   50   72   85   91   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     E    82_A     E    82_A     42   44   47      7   27   66   85   91   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     L    83_A     L    83_A     42   44   47      7   27   66   80   91   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     A    84_A     A    84_A     42   44   47      3   14   30   76   91   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     R    85_A     R    85_A     42   44   47      4   21   62   85   91   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     R    86_A     R    86_A     42   44   47     16   42   62   82   91   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     F    87_A     F    87_A     42   44   47      8   42   66   85   91   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     D    88_A     D    88_A     42   44   47     16   42   66   85   91   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     E    89_A     E    89_A     42   44   47     15   50   72   85   91   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     V    90_A     V    90_A     42   44   47     19   53   72   85   91   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     I    91_A     I    91_A     42   44   47     27   53   72   85   91   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     G    92_A     G    92_A     42   44   47     27   53   72   85   91   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     I    93_A     I    93_A     42   44   47     27   53   72   85   91   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     D    94_A     D    94_A     42   44   47     27   53   72   85   91   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     L    95_A     L    95_A     42   44   47     19   53   72   85   91   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     S    96_A     S    96_A     42   44   47     27   53   72   85   91   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     R    97_A     R    97_A     42   44   47     27   53   72   85   91   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     R    98_A     R    98_A     42   44   47     23   53   72   85   91   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     F    99_A     F    99_A     42   44   47     27   53   72   85   91   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     I   100_A     I   100_A     42   44   47     27   53   72   85   91   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     D   101_A     D   101_A     42   44   47     25   53   72   85   91   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     S   102_A     S   102_A     42   44   47     27   53   72   85   91   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     A   103_A     A   103_A     42   44   47     22   53   72   85   91   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     T   104_A     T   104_A     42   44   47     17   53   72   85   91   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     R   105_A     R   105_A     42   44   47     17   50   72   85   91   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     L   106_A     L   106_A     42   44   47     17   49   72   85   91   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     A   107_A     A   107_A     42   44   47     17   41   72   85   91   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     E   108_A     E   108_A     42   44   47     17   41   69   85   91   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     Q   109_A     Q   109_A     42   44   47      4   22   45   69   91   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     G   110_A     G   110_A     26   44   47      3    8   30   53   75   93   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     Q   111_A     Q   111_A      3   44   47      3    3   11   16   23   30   43   62   77   90  102  106  106  108  108  108  110  110  112  115 
LCS_GDT     L   112_A     L   112_A      3    5   47      0    3    3    4    6    7   18   21   26   38   45   54   71   78   95  104  107  110  112  115 
LCS_GDT     Q   113_A     Q   113_A      3    5   47      1    3    4    4    6    7   14   18   26   30   37   41   48   53   69   85   97  104  109  112 
LCS_GDT     Y   114_A     Y   114_A      3    5   47      3    3    3    3    6    7    9   12   14   14   32   36   40   42   46   50   61   64   66   71 
LCS_GDT     Q   115_A     Q   115_A      3    7   21      3    3    3    6    8   11   11   11   13   16   19   20   25   35   36   38   43   45   49   52 
LCS_GDT     V   116_A     V   116_A      4    7   12      3    4    4    6    8   11   11   11   13   16   19   20   24   29   31   38   43   45   50   55 
LCS_GDT     T   117_A     T   117_A      4    7   12      3    4    4    6    8   11   11   11   13   16   19   22   25   29   31   34   35   45   49   52 
LCS_GDT     L   118_A     L   118_A      4    7   12      3    4    4    6    8   11   11   11   13   16   19   20   25   28   31   32   35   37   39   41 
LCS_GDT     E   119_A     E   119_A      4    7   12      3    4    4    6    8   11   11   11   13   16   19   20   24   28   31   32   33   37   39   41 
LCS_GDT     G   120_A     G   120_A      4    7   12      3    4    4    6    8   11   11   11   11   16   19   20   24   28   31   32   33   34   37   41 
LCS_GDT     E   121_A     E   121_A      4    7   12      3    4    4    4    8   11   11   11   13   16   19   20   24   28   31   32   33   35   39   41 
LCS_GDT     L   122_A     L   122_A      3    4   13      3    3    3    3    4    5    8   10   11   14   17   18   21   28   31   32   33   35   38   41 
LCS_GDT     I   123_A     I   123_A      3    4   13      3    3    3    3    4    5    8   10   13   13   14   17   21   24   30   31   34   36   39   50 
LCS_GDT     E   124_A     E   124_A      3    4   13      3    3    3    3    4    5    7    9   13   13   17   20   25   26   30   32   33   35   38   41 
LCS_GDT     R   125_A     R   125_A      3    4   13      3    3    3    3    4    5    7    9   11   13   17   22   25   27   30   32   36   44   46   55 
LCS_GDT     R   126_A     R   126_A      3    6   13      3    3    3    5    6    6    7    9   10   15   17   22   25   31   38   44   51   57   62   68 
LCS_GDT     T   127_A     T   127_A      3    6   13      3    3    3    5    6    6    7   11   13   15   18   22   25   31   38   44   52   57   62   69 
LCS_GDT     A   128_A     A   128_A      4    6   15      3    4    4    5    6    7    8   11   13   15   18   22   25   32   38   44   51   57   62   69 
LCS_GDT     D   129_A     D   129_A      4    6   15      3    4    4    5    6    7    8   11   13   16   19   22   25   27   30   32   33   47   52   62 
LCS_GDT     L   130_A     L   130_A      4    6   15      3    4    5    5    6    9   10   14   17   18   20   22   25   27   30   32   35   44   51   62 
LCS_GDT     A   131_A     A   131_A      4    6   15      3    4    5    6    6    9   12   15   17   18   21   22   25   27   30   32   33   34   38   42 
LCS_GDT     A   132_A     A   132_A      5    6   15      3    4    5    6    6    9   12   15   17   18   21   22   25   27   30   32   33   34   38   41 
LCS_GDT     L   133_A     L   133_A      5    6   15      3    4    5    6    6    9   12   15   17   18   21   22   25   27   30   32   33   34   38   41 
LCS_GDT     E   134_A     E   134_A      5    6   15      3    4    5    6    6    9   12   15   17   18   21   22   25   27   30   32   33   34   38   41 
LCS_GDT     L   135_A     L   135_A      5    6   15      3    4    5    6    7   11   11   11   16   18   21   22   25   27   30   32   38   40   44   48 
LCS_GDT     S   136_A     S   136_A      5    6   15      3    4    5    6    6   14   17   18   19   20   22   26   28   29   35   40   41   47   50   54 
LCS_GDT     N   137_A     N   137_A      3    5   15      3    3    4    6    8    9   17   18   19   20   22   26   28   29   30   40   41   47   50   54 
LCS_GDT     T   138_A     T   138_A      4    5   64      4    4    5   10   12   15   17   18   19   22   25   26   39   48   53   59   65   68   72   83 
LCS_GDT     A   139_A     A   139_A      4    5   64      4    4    5    6    8   10   12   19   21   25   32   40   49   55   62   67   72   83   91  100 
LCS_GDT     G   140_A     G   140_A      4    5   64      4    4    5    6    8   16   23   30   41   52   61   77   86   94   98  103  106  108  110  112 
LCS_GDT     R   141_A     R   141_A      4    5   64      4    4    9   11   13   19   24   36   47   63   75   86   96  102  105  107  108  110  111  115 
LCS_GDT     T   142_A     T   142_A      4   56   64      3    7   16   33   48   63   75   82   91  100  102  106  106  108  108  108  110  110  112  115 
LCS_GDT     R   143_A     R   143_A     11   56   64     22   53   72   85   91   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     F   144_A     F   144_A     11   56   64     27   53   72   85   91   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     Q   145_A     Q   145_A     11   56   64     27   53   72   85   91   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     V   146_A     V   146_A     11   56   64     27   53   72   85   91   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     G   147_A     G   147_A     11   56   64     27   53   72   85   91   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     D   148_A     D   148_A     11   56   64     27   53   72   85   91   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     A   149_A     A   149_A     11   56   64     19   53   72   85   91   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     C   150_A     C   150_A     11   56   64     19   53   72   85   91   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     A   151_A     A   151_A     11   56   64     22   53   72   85   91   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     L   152_A     L   152_A     11   56   64     27   53   72   85   91   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     D   153_A     D   153_A     11   56   64     17   53   72   85   91   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     D   154_A     D   154_A     11   56   64      3    5   10   19   36   90   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     T   155_A     T   155_A      3   56   64      3   10   39   76   84   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     L   156_A     L   156_A      3   56   64      3    3    5   10   18   24   42   82   90   99  102  106  106  108  108  108  110  110  112  115 
LCS_GDT     G   157_A     G   157_A      3   56   64      3    3    4   25   47   83   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     R   158_A     R   158_A     22   56   64     10   34   69   85   91   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     F   159_A     F   159_A     22   56   64     14   53   72   85   91   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     D   160_A     D   160_A     22   56   64     16   53   72   85   91   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     L   161_A     L   161_A     22   56   64     16   53   72   85   91   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     I   162_A     I   162_A     22   56   64     25   53   72   85   91   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     F   163_A     F   163_A     22   56   64     16   53   72   85   91   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     A   164_A     A   164_A     22   56   64     27   53   72   85   91   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     G   165_A     G   165_A     22   56   64     16   53   72   85   91   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     N   166_A     N   166_A     22   56   64     22   53   72   85   91   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     L   167_A     L   167_A     22   56   64     12   50   72   85   91   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     I   168_A     I   168_A     22   56   64     12   50   72   85   91   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     D   169_A     D   169_A     22   56   64     12   53   72   85   91   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     R   170_A     R   170_A     22   56   64      9   53   72   85   91   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     L   171_A     L   171_A     22   56   64     27   53   72   85   91   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     P   172_A     P   172_A     22   56   64      8   50   72   85   91   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     D   173_A     D   173_A     22   56   64      9   32   65   81   91   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     P   174_A     P   174_A     22   56   64      7   43   70   85   91   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     A   175_A     A   175_A     22   56   64      7   43   70   84   91   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     A   176_A     A   176_A     22   56   64     11   51   72   85   91   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     F   177_A     F   177_A     22   56   64     24   53   72   85   91   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     L   178_A     L   178_A     22   56   64      7   45   72   85   91   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     A   179_A     A   179_A     22   56   64      7   42   72   85   91   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     Q   180_A     Q   180_A     20   56   64      9   31   72   85   91   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     L   181_A     L   181_A     20   56   64      4    8   40   85   91   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     P   182_A     P   182_A     20   56   64      3    4   46   85   91   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     A   183_A     A   183_A     20   56   64      3   33   70   85   91   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     L   184_A     L   184_A     20   56   64     11   50   72   85   91   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     V   185_A     V   185_A     20   56   64     12   50   72   85   91   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     R   186_A     R   186_A     20   56   64     12   44   72   85   91   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     P   187_A     P   187_A     20   56   64     12   43   70   85   91   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     G   188_A     G   188_A     20   56   64     12   39   70   85   91   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     G   189_A     G   189_A     20   56   64     12   44   72   85   91   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     L   190_A     L   190_A     20   56   64     16   53   72   85   91   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     L   191_A     L   191_A     20   56   64     27   53   72   85   91   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     M   192_A     M   192_A     20   56   64     27   53   72   85   91   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     I   193_A     I   193_A     20   56   64     16   53   72   85   91   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     T   194_A     T   194_A     20   56   64     16   53   72   85   91   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     S   195_A     S   195_A     20   56   64     24   53   72   85   91   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     P   196_A     P   196_A     20   56   64     27   53   72   85   91   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     Y   197_A     Y   197_A     18   56   64      3   20   53   81   91   94   95   97   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     T   198_A     T   198_A      4   56   64      3    4    6   10   42   53   78   94   96   97   99  100  105  106  106  107  109  110  110  112 
LCS_GDT     L   199_A     L   199_A      4   13   64      3    4    6   10   12   20   34   44   57   74   94   97  102  105  106  107  108  109  110  111 
LCS_GDT     L   200_A     L   200_A      4   13   64      3    4    6    9   11   15   17   22   37   48   59   74   81   91  100  104  108  109  109  110 
LCS_GDT     P   201_A     P   201_A      4   13   64      3    4    4   10   12   15   18   26   39   48   59   74   81   92  103  105  108  109  109  110 
LCS_GDT     E   202_A     E   202_A      4    8   64      1    4    4    6    7    8   13   18   20   24   30   44   62   71   80   92  101  106  108  110 
LCS_GDT     F   203_A     F   203_A      4    5   64      3    3    4    4    4    5    9   11   14   16   19   21   23   24   26   28   31   37   60   78 
LCS_GDT     T   204_A     T   204_A      4    5   63      3    4    4    5    5    9    9   11   14   16   19   21   23   24   25   27   29   31   32   33 
LCS_GDT     P   205_A     P   205_A      5    6   25      4    5    5    5    6    9    9   11   14   16   19   21   23   24   27   29   47   56   81   91 
LCS_GDT     R   206_A     R   206_A      5    6   25      4    5    5    5    6    9    9   11   14   16   23   25   35   50   66   77   98  105  109  111 
LCS_GDT     E   207_A     E   207_A      5    6   25      4    5    5    5    6    8    9   19   21   25   31   36   56   59   70   83  101  106  109  115 
LCS_GDT     R   208_A     R   208_A      5    6   25      4    5    5    5    6    6    7   11   14   19   20   26   29   33   39   44   53   61   89  101 
LCS_GDT     W   209_A     W   209_A      5    6   25      4    5    5    5    6   12   14   15   15   19   20   26   42   56   63   67   91   98  108  115 
LCS_GDT     I   210_A     I   210_A      4    6   25      3    3    4    5    9   13   18   24   29   39   44   52   67   79   87   96  106  109  112  115 
LCS_GDT     G   211_A     G   211_A      4    5   25      3    4    4    5    6    9    9   25   32   43   55   78   86   92  100  105  110  110  112  115 
LCS_GDT     G   212_A     G   212_A      4    5   25      3    4    4    5    6    9    9   25   28   37   47   60   76   92   98  104  110  110  112  115 
LCS_GDT     F   213_A     F   213_A      3    5   25      3    4    4    5    6    9   15   25   27   33   44   49   56   77   86   92  101  108  111  115 
LCS_GDT     E   214_A     E   214_A      4    5   25      3    4    4    5    6    9   11   15   20   24   40   43   49   57   65   70   76   91   96  102 
LCS_GDT     R   215_A     R   215_A      4    6   25      3    4    5    6    7    9   11   15   18   24   26   26   36   42   45   62   76   79   89   96 
LCS_GDT     N   216_A     N   216_A      4    6   25      3    4    4    4    5    6    8   14   15   17   18   22   23   24   32   37   41   48   55   58 
LCS_GDT     G   217_A     G   217_A      5    7   25      3    4    6    6    8    8    9   14   15   17   19   22   23   24   27   28   31   37   55   58 
LCS_GDT     Q   218_A     Q   218_A      5    7   25      3    4    6    6    8    9    9   14   15   17   19   22   23   24   27   28   41   47   55   58 
LCS_GDT     P   219_A     P   219_A      5    7   25      3    4    6    6    8    8    9   14   15   17   19   22   23   33   34   36   41   47   51   55 
LCS_GDT     V   220_A     V   220_A      5    7   25      3    4    6    6    8    8   10   14   15   20   21   23   36   47   51   62   65   79   89   93 
LCS_GDT     R   221_A     R   221_A      5    7   25      3    4    6    6    8    8    9   12   14   16   19   32   33   40   44  101  106  110  111  111 
LCS_GDT     M   222_A     M   222_A      5    7   25      0    4    6    6    8   30   37   51   83   93   97   99  105  108  108  108  110  110  112  113 
LCS_GDT     L   223_A     L   223_A      3    7   25      1    3    5    5   24   30   41   51   83   90   93   99  105  108  108  108  110  110  112  115 
LCS_GDT     D   224_A     D   224_A      3    3   25      0    4    6   17   27   38   72   83   93  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     G   225_A     G   225_A      5    5   25      5    5    8   26   43   54   77   94   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     L   226_A     L   226_A      5    5   25      5    5    5    5    8   27   72   82   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     R   227_A     R   227_A      5    5   25      5    5    5   33   51   71   84   96   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     H   228_A     H   228_A      5    5   17      5    8   16   33   50   73   90   96   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_GDT     H   229_A     H   229_A      5    5   17      5    5    5   14   31   44   65   80   99  101  103  106  106  108  108  108  110  110  112  115 
LCS_AVERAGE  LCS_A:  13.74  (   7.84   14.21   19.18 )

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     27     53     72     85     91     94     95     97     99    101    103    106    106    108    108    108    110    110    112    115 
GDT PERCENT_AT  11.30  22.18  30.13  35.56  38.08  39.33  39.75  40.59  41.42  42.26  43.10  44.35  44.35  45.19  45.19  45.19  46.03  46.03  46.86  48.12
GDT RMS_LOCAL    0.38   0.62   0.89   1.12   1.24   1.34   1.38   1.50   1.78   2.09   2.25   2.55   2.55   2.80   2.80   2.80   3.33   3.33   3.79   4.55
GDT RMS_ALL_AT  15.90  15.86  15.91  16.00  16.02  16.01  16.00  15.99  15.86  15.69  15.67  15.52  15.52  15.48  15.48  15.48  15.33  15.33  15.21  14.99

# Checking swapping
#   possible swapping detected:  F    81_A      F    81_A
#   possible swapping detected:  E    89_A      E    89_A
#   possible swapping detected:  D    94_A      D    94_A
#   possible swapping detected:  E   119_A      E   119_A
#   possible swapping detected:  E   121_A      E   121_A
#   possible swapping detected:  E   134_A      E   134_A
#   possible swapping detected:  F   163_A      F   163_A
#   possible swapping detected:  F   177_A      F   177_A
#   possible swapping detected:  F   213_A      F   213_A
#   possible swapping detected:  E   214_A      E   214_A
#   possible swapping detected:  D   224_A      D   224_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    R    68_A      R    68_A     0.218     0    0.039   1.222     7.516   97.619   64.502
LGA    A    69_A      A    69_A     0.544     0    0.094   0.162     0.622   90.476   90.476
LGA    L    70_A      L    70_A     0.691     0    0.020   0.088     0.815   90.476   90.476
LGA    D    71_A      D    71_A     0.580     0    0.087   0.183     1.143   90.476   90.536
LGA    L    72_A      L    72_A     0.363     0    0.079   0.077     0.612   97.619   98.810
LGA    G    73_A      G    73_A     0.643     0    0.132   0.132     0.643   97.619   97.619
LGA    C    74_A      C    74_A     0.595     0    0.031   0.127     1.166   95.238   90.635
LGA    A    75_A      A    75_A     0.357     0    0.036   0.045     0.838   95.238   94.286
LGA    V    76_A      V    76_A     0.805     0    0.025   0.075     0.989   90.476   90.476
LGA    G    77_A      G    77_A     0.831     0    0.033   0.033     1.354   85.952   85.952
LGA    R    78_A      R    78_A     1.518     0    0.048   1.423     7.155   75.000   54.416
LGA    S    79_A      S    79_A     1.727     0    0.063   0.082     1.989   72.857   72.857
LGA    S    80_A      S    80_A     1.158     0    0.041   0.627     2.416   81.429   80.159
LGA    F    81_A      F    81_A     1.117     0    0.058   1.348     6.314   83.690   58.831
LGA    E    82_A      E    82_A     2.070     0    0.054   0.930     4.752   64.881   57.090
LGA    L    83_A      L    83_A     2.159     0    0.157   0.198     2.800   66.786   64.821
LGA    A    84_A      A    84_A     2.431     0    0.093   0.101     3.430   68.810   65.048
LGA    R    85_A      R    85_A     1.870     3    0.082   0.796     2.631   70.833   49.351
LGA    R    86_A      R    86_A     2.246     6    0.027   0.034     2.784   64.881   28.788
LGA    F    87_A      F    87_A     1.992     0    0.012   0.628     5.595   72.857   57.576
LGA    D    88_A      D    88_A     1.811     0    0.080   0.251     3.569   75.000   66.250
LGA    E    89_A      E    89_A     0.959     0    0.029   0.279     1.554   88.214   86.508
LGA    V    90_A      V    90_A     0.626     0    0.029   0.210     1.327   95.238   91.905
LGA    I    91_A      I    91_A     0.394     0    0.040   0.080     1.187  100.000   91.845
LGA    G    92_A      G    92_A     0.470     0    0.069   0.069     0.581   97.619   97.619
LGA    I    93_A      I    93_A     0.445     0    0.034   0.799     2.209   95.238   89.702
LGA    D    94_A      D    94_A     0.844     0    0.055   0.663     2.169   88.214   82.798
LGA    L    95_A      L    95_A     0.846     1    0.167   0.818     2.082   86.071   72.619
LGA    S    96_A      S    96_A     0.796     0    0.024   0.120     1.106   90.476   88.968
LGA    R    97_A      R    97_A     0.786     0    0.059   1.340     3.484   90.476   77.489
LGA    R    98_A      R    98_A     0.867     0    0.027   0.971     4.814   90.476   72.294
LGA    F    99_A      F    99_A     0.776     0    0.021   0.164     1.328   90.476   88.009
LGA    I   100_A      I   100_A     0.792     0    0.038   0.087     1.239   90.476   88.214
LGA    D   101_A      D   101_A     0.684     0    0.025   0.045     1.014   90.476   89.345
LGA    S   102_A      S   102_A     0.562     0    0.028   0.124     0.621   90.476   92.063
LGA    A   103_A      A   103_A     0.718     0    0.020   0.026     0.940   90.476   90.476
LGA    T   104_A      T   104_A     0.672     0    0.045   1.068     2.689   88.214   81.905
LGA    R   105_A      R   105_A     0.823     0    0.017   1.420     6.099   90.476   64.719
LGA    L   106_A      L   106_A     0.966     0    0.026   0.306     1.597   83.810   82.679
LGA    A   107_A      A   107_A     1.334     0    0.036   0.051     1.685   79.286   79.714
LGA    E   108_A      E   108_A     1.480     0    0.029   0.102     2.193   75.119   81.640
LGA    Q   109_A      Q   109_A     2.601     1    0.103   0.790     5.222   57.262   41.640
LGA    G   110_A      G   110_A     3.505     0    0.083   0.083     6.735   33.810   33.810
LGA    Q   111_A      Q   111_A     9.862     0    0.678   1.365    12.651    2.619    1.217
LGA    L   112_A      L   112_A    14.631     0    0.639   1.047    17.084    0.000    0.000
LGA    Q   113_A      Q   113_A    18.756     0    0.567   1.163    23.267    0.000    0.000
LGA    Y   114_A      Y   114_A    24.798     0    0.682   1.457    28.066    0.000    0.000
LGA    Q   115_A      Q   115_A    28.320     0    0.672   0.760    34.162    0.000    0.000
LGA    V   116_A      V   116_A    26.121     0    0.634   1.405    27.578    0.000    0.000
LGA    T   117_A      T   117_A    29.201     0    0.254   0.292    31.025    0.000    0.000
LGA    L   118_A      L   118_A    35.193     0    0.228   0.352    38.754    0.000    0.000
LGA    E   119_A      E   119_A    37.727     0    0.623   0.461    41.824    0.000    0.000
LGA    G   120_A      G   120_A    40.316     0    0.228   0.228    40.316    0.000    0.000
LGA    E   121_A      E   121_A    42.032     0    0.631   1.151    47.643    0.000    0.000
LGA    L   122_A      L   122_A    43.497     0    0.593   1.413    49.392    0.000    0.000
LGA    I   123_A      I   123_A    39.736     0    0.680   0.587    41.276    0.000    0.000
LGA    E   124_A      E   124_A    37.465     0    0.637   1.328    42.266    0.000    0.000
LGA    R   125_A      R   125_A    31.179     0    0.636   1.150    33.723    0.000    0.000
LGA    R   126_A      R   126_A    31.878     0    0.322   0.494    38.871    0.000    0.000
LGA    T   127_A      T   127_A    33.168     0    0.368   0.940    35.798    0.000    0.000
LGA    A   128_A      A   128_A    32.210     0    0.661   0.614    32.877    0.000    0.000
LGA    D   129_A      D   129_A    32.698     0    0.226   0.772    34.618    0.000    0.000
LGA    L   130_A      L   130_A    33.291     0    0.561   1.412    35.102    0.000    0.000
LGA    A   131_A      A   131_A    35.783     0    0.546   0.539    39.342    0.000    0.000
LGA    A   132_A      A   132_A    40.954     0    0.236   0.217    42.067    0.000    0.000
LGA    L   133_A      L   133_A    37.745     0    0.697   1.258    38.342    0.000    0.000
LGA    E   134_A      E   134_A    38.718     0    0.149   1.096    46.325    0.000    0.000
LGA    L   135_A      L   135_A    31.539     0    0.680   0.900    34.001    0.000    0.000
LGA    S   136_A      S   136_A    28.651     0    0.616   0.584    30.008    0.000    0.000
LGA    N   137_A      N   137_A    28.765     0    0.648   1.169    36.070    0.000    0.000
LGA    T   138_A      T   138_A    23.093     0    0.572   0.630    24.947    0.000    0.000
LGA    A   139_A      A   139_A    20.765     0    0.090   0.097    22.649    0.000    0.000
LGA    G   140_A      G   140_A    15.050     0    0.259   0.259    17.504    0.000    0.000
LGA    R   141_A      R   141_A    12.084     0    0.190   0.245    23.227    2.143    0.779
LGA    T   142_A      T   142_A     7.297     0    0.100   0.114    11.359   13.690    8.299
LGA    R   143_A      R   143_A     1.185     0    0.211   1.132     9.422   71.429   40.649
LGA    F   144_A      F   144_A     0.505     0    0.026   0.099     1.187   97.619   91.429
LGA    Q   145_A      Q   145_A     0.474     0    0.099   1.063     2.518   95.238   85.026
LGA    V   146_A      V   146_A     0.815     0    0.141   0.228     1.282   88.214   89.252
LGA    G   147_A      G   147_A     0.730     0    0.055   0.055     0.928   90.476   90.476
LGA    D   148_A      D   148_A     0.593     0    0.060   0.240     0.769   90.476   92.857
LGA    A   149_A      A   149_A     1.087     0    0.035   0.045     1.127   83.690   83.238
LGA    C   150_A      C   150_A     1.122     0    0.021   0.043     1.476   81.429   81.429
LGA    A   151_A      A   151_A     0.919     0    0.060   0.068     1.174   90.476   88.667
LGA    L   152_A      L   152_A     0.589     0    0.028   0.115     1.009   90.476   89.345
LGA    D   153_A      D   153_A     0.410     0    0.622   0.991     3.269   84.643   80.238
LGA    D   154_A      D   154_A     3.772     0    0.662   1.348    10.663   57.500   31.905
LGA    T   155_A      T   155_A     3.408     0    0.632   1.404     7.316   43.929   32.177
LGA    L   156_A      L   156_A     6.791     0    0.668   1.465    12.689   17.500    9.464
LGA    G   157_A      G   157_A     4.720     0    0.574   0.574     5.349   34.762   34.762
LGA    R   158_A      R   158_A     1.937     0    0.612   1.232    12.165   81.548   35.368
LGA    F   159_A      F   159_A     1.231     0    0.038   0.173     1.509   77.143   83.983
LGA    D   160_A      D   160_A     1.381     0    0.014   0.232     1.790   79.286   77.143
LGA    L   161_A      L   161_A     1.379     0    0.095   1.118     4.456   81.429   70.774
LGA    I   162_A      I   162_A     0.737     0    0.058   0.135     0.840   90.476   90.476
LGA    F   163_A      F   163_A     0.839     0    0.118   0.866     5.042   92.857   66.797
LGA    A   164_A      A   164_A     0.356     0    0.044   0.042     0.875   95.238   94.286
LGA    G   165_A      G   165_A     0.881     0    0.182   0.182     1.769   83.810   83.810
LGA    N   166_A      N   166_A     0.734     0    0.054   0.356     1.753   90.476   89.464
LGA    L   167_A      L   167_A     1.170     0    0.133   0.873     5.490   83.690   66.786
LGA    I   168_A      I   168_A     1.312     0    0.027   0.445     1.734   81.429   80.357
LGA    D   169_A      D   169_A     1.081     0    0.107   0.928     1.938   83.690   81.548
LGA    R   170_A      R   170_A     0.946     0    0.196   0.903     7.592   88.214   57.229
LGA    L   171_A      L   171_A     0.497     0    0.033   0.171     1.765   92.857   91.845
LGA    P   172_A      P   172_A     1.462     0    0.050   0.097     2.126   75.119   75.374
LGA    D   173_A      D   173_A     2.473     0    0.194   0.371     3.745   70.833   58.750
LGA    P   174_A      P   174_A     1.766     0    0.023   0.172     2.479   72.976   69.456
LGA    A   175_A      A   175_A     1.817     0    0.027   0.033     1.957   75.000   74.571
LGA    A   176_A      A   176_A     1.227     0    0.059   0.067     1.474   85.952   85.048
LGA    F   177_A      F   177_A     0.639     0    0.036   0.202     1.374   90.476   87.186
LGA    L   178_A      L   178_A     1.286     0    0.187   0.309     2.356   81.429   74.107
LGA    A   179_A      A   179_A     1.348     0    0.101   0.102     1.667   79.286   79.714
LGA    Q   180_A      Q   180_A     1.515     0    0.111   1.207     4.525   70.952   67.460
LGA    L   181_A      L   181_A     2.363     0    0.093   1.200     2.863   64.762   61.905
LGA    P   182_A      P   182_A     2.103     0    0.122   0.181     2.601   68.810   64.898
LGA    A   183_A      A   183_A     1.982     0    0.028   0.051     2.393   70.833   69.619
LGA    L   184_A      L   184_A     1.715     0    0.023   0.257     2.781   72.976   66.964
LGA    V   185_A      V   185_A     1.700     0    0.103   0.902     3.257   66.905   65.034
LGA    R   186_A      R   186_A     1.975     0    0.043   1.675     7.223   68.810   57.056
LGA    P   187_A      P   187_A     2.173     0    0.036   0.315     2.331   64.762   64.762
LGA    G   188_A      G   188_A     2.104     0    0.019   0.019     2.125   64.762   64.762
LGA    G   189_A      G   189_A     1.872     0    0.080   0.080     1.949   72.857   72.857
LGA    L   190_A      L   190_A     1.291     0    0.101   1.429     5.352   83.690   66.131
LGA    L   191_A      L   191_A     0.329     0    0.092   0.846     3.720   92.976   82.619
LGA    M   192_A      M   192_A     0.551     0    0.036   0.767     3.611   95.238   85.833
LGA    I   193_A      I   193_A     0.891     0    0.015   0.180     1.263   85.952   85.952
LGA    T   194_A      T   194_A     1.064     0    0.057   1.117     2.921   83.690   76.871
LGA    S   195_A      S   195_A     0.869     0    0.124   0.630     2.478   88.214   83.175
LGA    P   196_A      P   196_A     0.325     0    0.678   0.591     2.336   88.810   93.605
LGA    Y   197_A      Y   197_A     2.708     0    0.520   0.469     4.096   50.595   64.960
LGA    T   198_A      T   198_A     6.581     0    0.088   0.127    10.139   10.595   10.340
LGA    L   199_A      L   199_A    11.417     0    0.642   0.483    13.218    0.357    0.179
LGA    L   200_A      L   200_A    14.841     0    0.081   1.207    18.000    0.000    0.000
LGA    P   201_A      P   201_A    15.422     0    0.655   0.757    19.464    0.000    0.000
LGA    E   202_A      E   202_A    18.200     4    0.669   0.636    19.604    0.000    0.000
LGA    F   203_A      F   203_A    20.221     0    0.605   1.408    25.276    0.000    0.000
LGA    T   204_A      T   204_A    21.920     0    0.330   0.980    24.506    0.000    0.000
LGA    P   205_A      P   205_A    22.517     0    0.664   0.629    26.914    0.000    0.000
LGA    R   206_A      R   206_A    19.070     0    0.072   1.798    21.836    0.000    0.000
LGA    E   207_A      E   207_A    18.980     1    0.139   1.278    19.844    0.000    0.000
LGA    R   208_A      R   208_A    21.574     0    0.146   0.252    30.367    0.000    0.000
LGA    W   209_A      W   209_A    19.532     0    0.597   0.521    20.277    0.000    0.000
LGA    I   210_A      I   210_A    17.843     0    0.218   1.318    18.179    0.000    0.000
LGA    G   211_A      G   211_A    16.046     0    0.544   0.544    16.182    0.000    0.000
LGA    G   212_A      G   212_A    16.973     0    0.340   0.340    17.672    0.000    0.000
LGA    F   213_A      F   213_A    19.881     0    0.709   1.476    26.707    0.000    0.000
LGA    E   214_A      E   214_A    21.293     0    0.537   0.450    22.404    0.000    0.000
LGA    R   215_A      R   215_A    22.490     0    0.630   1.314    25.570    0.000    0.000
LGA    N   216_A      N   216_A    28.419     3    0.434   0.416    31.340    0.000    0.000
LGA    G   217_A      G   217_A    30.652     0    0.120   0.120    31.643    0.000    0.000
LGA    Q   218_A      Q   218_A    28.101     4    0.475   0.482    28.609    0.000    0.000
LGA    P   219_A      P   219_A    23.847     0    0.436   0.600    28.116    0.000    0.000
LGA    V   220_A      V   220_A    18.020     0    0.106   0.096    20.002    0.000    0.000
LGA    R   221_A      R   221_A    15.438     0    0.594   0.870    25.727    0.000    0.000
LGA    M   222_A      M   222_A     9.118     0    0.610   1.146    11.136    1.071    8.988
LGA    L   223_A      L   223_A    10.456     0    0.647   0.641    15.016    0.119    0.060
LGA    D   224_A      D   224_A     8.959     0    0.558   1.161    10.741    1.786    1.905
LGA    G   225_A      G   225_A     7.947     0    0.583   0.583     7.947    8.690    8.690
LGA    L   226_A      L   226_A     7.690     0    0.075   0.107     8.916    8.571    6.488
LGA    R   227_A      R   227_A     6.998     0    0.123   1.418    11.643   10.833    6.926
LGA    H   228_A      H   228_A     7.376     0    0.047   1.136     9.724    8.571    6.190
LGA    H   229_A      H   229_A     8.069     0    0.641   0.925    11.986    6.190    3.190

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      162     648    648  100.00    1245   1245  100.00               239
SUMMARY(RMSD_GDC):    13.157         13.116                 13.763           33.441   30.827

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  162  239    4.0     97    1.50    35.879    32.026     6.061

LGA_LOCAL      RMSD:   1.500  Number of atoms:   97  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  15.987  Number of assigned atoms:  162 
Std_ASGN_ATOMS RMSD:  13.157  Standard rmsd on all 162 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.355234 * X  +   0.869735 * Y  +  -0.342592 * Z  + -31.912640
  Y_new =   0.733347 * X  +   0.486563 * Y  +   0.474824 * Z  + -54.590282
  Z_new =   0.579664 * X  +  -0.082566 * Y  +  -0.810662 * Z  +  24.204380 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.021886 -0.618316 -3.040093   [DEG:  115.8456  -35.4269 -174.1845 ]
ZXZ: -2.516573  2.516078  1.712282   [DEG: -144.1890  144.1606   98.1065 ]
 
# END of job
