
#######################################################
#                                                     #
#                        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  187 ( 1458),  selected  126 , name one
# Molecule2: number of CA atoms  126 (  936),  selected  126 , 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:   109      76_A - 187_A       4.96    10.07
  LCS_AVERAGE:     78.92

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    70     114_A - 186_A       1.90    10.78
  LONGEST_CONTINUOUS_SEGMENT:    70     115_A - 187_A       1.96    10.93
  LCS_AVERAGE:     41.89

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    66     118_A - 186_A       1.00    10.81
  LCS_AVERAGE:     36.50

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  126
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    59_A     R    59_A      3    6   18      0    2    4    5    5    6    9   10   11   13   14   16   16   17   17   18   18   19   21   23 
LCS_GDT     R    60_A     R    60_A      4    6   18      0    4    4    5    5    8    9   10   11   11   13   15   16   17   17   18   18   19   20   22 
LCS_GDT     V    61_A     V    61_A      4    7   18      3    4    4    5    6    8    9   10   13   14   15   16   16   17   17   29   32   44   46   63 
LCS_GDT     K    62_A     K    62_A      4    7   18      3    4    4    5    6    8    9   10   12   14   15   16   16   19   25   28   37   43   46   49 
LCS_GDT     L    63_A     L    63_A      4    7   18      3    4    4    5    6    8   10   12   13   14   15   16   16   17   21   28   29   35   37   41 
LCS_GDT     R    64_A     R    64_A      4    7   18      3    3    4    5    7    9   11   12   13   14   15   16   16   17   18   20   21   24   26   33 
LCS_GDT     K    65_A     K    65_A      4    7   18      3    3    4    5    9    9   11   12   13   14   15   16   16   17   18   20   21   24   26   31 
LCS_GDT     H    66_A     H    66_A      4    8   18      3    3    4    4    9    9   11   12   13   14   15   16   16   17   17   18   18   19   23   25 
LCS_GDT     L    67_A     L    67_A      5    8   18      3    5    5    8    9    9   11   12   13   14   15   16   16   17   17   28   31   31   33   33 
LCS_GDT     V    68_A     V    68_A      5    8   60      3    5    5    8    9    9   11   12   13   14   17   20   21   24   28   33   37   41   44   46 
LCS_GDT     E    69_A     E    69_A      5    8   61      3    5    5    8    9    9   13   19   23   25   35   36   43   48   55   62   66   72   81   88 
LCS_GDT     I    70_A     I    70_A      5    8   61      3    5    5    8    9    9   26   33   42   47   49   54   60   64   75   82   90   99  107  109 
LCS_GDT     N    71_A     N    71_A      5    8   61      3    7   35   38   39   40   41   44   45   48   50   55   60   68   80   86   93  101  107  110 
LCS_GDT     A    72_A     A    72_A      5    8   61      3    4    8   18   30   37   41   42   44   45   50   52   54   62   77   93   95  103  109  110 
LCS_GDT     D    73_A     D    73_A      5    8   61      3    4    5    8    9    9   15   17   22   24   28   36   43   46   48   49   50   50   52   56 
LCS_GDT     E    74_A     E    74_A      4    6   61      3    4    5    6    8    9   15   17   22   24   25   34   36   39   46   48   50   50   52   56 
LCS_GDT     I    75_A     I    75_A      4    5   61      3    4    5    6   13   17   20   23   36   42   45   48   52   54   61   64   82   90  102  104 
LCS_GDT     T    76_A     T    76_A      3    5  109      1    4    5    6    7    7   20   23   29   39   45   48   48   52   56   93   97  102  109  110 
LCS_GDT     I    77_A     I    77_A      3   42  109      1    3    3    3    5   10   16   26   36   42   47   52   53   85   89  101  103  106  109  110 
LCS_GDT     T    78_A     T    78_A      3   42  109      6   27   35   38   39   40   41   44   45   48   50   52   59   82   89   93  102  106  109  110 
LCS_GDT     L    79_A     L    79_A      3   42  109      0    3   19   33   39   40   54   59   68   76   76   81   81   91   97  101  103  106  109  110 
LCS_GDT     S    80_A     S    80_A      5   42  109      0    4    5    8   23   36   54   67   72   76   79   86   88   94   97  101  103  106  109  110 
LCS_GDT     R    81_A     R    81_A     30   42  109      3    6   18   27   36   40   54   69   72   76   81   86   89   94   97  101  103  106  109  110 
LCS_GDT     Y    82_A     Y    82_A     33   42  109      3    4    9   22   32   40   41   43   45   48   74   75   78   87   97  101  103  106  109  110 
LCS_GDT     T    83_A     T    83_A     35   42  109      3    5   31   38   39   40   41   44   45   48   50   52   78   82   88  101  103  106  109  110 
LCS_GDT     S    84_A     S    84_A     35   42  109     14   30   35   38   39   40   41   44   45   48   50   55   60   68   80   93  103  106  109  110 
LCS_GDT     P    85_A     P    85_A     35   42  109     18   30   35   38   39   40   41   44   45   48   50   57   75   86   97  101  103  106  109  110 
LCS_GDT     E    86_A     E    86_A     35   42  109     19   30   35   38   39   40   41   44   45   48   50   55   59   64   75   84   95  104  109  110 
LCS_GDT     A    87_A     A    87_A     35   42  109     19   30   35   38   39   40   41   44   45   48   50   55   60   68   80   93  103  106  109  110 
LCS_GDT     L    88_A     L    88_A     35   42  109     19   30   35   38   39   40   41   44   69   76   81   86   88   94   97  101  103  106  109  110 
LCS_GDT     E    89_A     E    89_A     35   42  109     19   30   35   38   39   40   41   44   69   70   75   86   88   94   97  101  103  106  109  110 
LCS_GDT     R    90_A     R    90_A     35   42  109     19   30   35   38   39   40   41   44   45   48   50   57   72   86   97  101  103  106  109  110 
LCS_GDT     S    91_A     S    91_A     35   42  109     18   30   35   38   39   40   54   59   72   76   80   86   88   94   97  101  103  106  109  110 
LCS_GDT     I    92_A     I    92_A     35   42  109     19   30   35   57   62   67   68   70   74   79   81   86   89   94   97  101  103  106  109  110 
LCS_GDT     T    93_A     T    93_A     35   42  109     14   30   35   38   39   40   66   68   72   76   81   86   89   94   97  101  103  106  109  110 
LCS_GDT     A    94_A     A    94_A     35   42  109     18   30   35   38   39   40   54   59   72   76   80   86   88   94   97  101  103  106  109  110 
LCS_GDT     L    95_A     L    95_A     35   42  109     19   30   35   38   39   42   54   67   72   76   81   86   89   94   97  101  103  106  109  110 
LCS_GDT     A    96_A     A    96_A     35   42  109     14   30   35   38   44   67   68   70   75   79   84   86   89   94   97  101  103  106  109  110 
LCS_GDT     A    97_A     A    97_A     35   42  109     14   30   35   38   39   42   62   69   72   76   81   86   89   94   97  101  103  106  109  110 
LCS_GDT     M    98_A     M    98_A     35   42  109      9   30   35   38   39   40   43   67   72   76   79   86   88   92   97  101  103  106  109  110 
LCS_GDT     T    99_A     T    99_A     35   42  109     19   30   35   38   39   40   41   44   45   56   69   86   88   92   97  101  103  106  109  110 
LCS_GDT     G   100_A     G   100_A     35   42  109     19   30   35   38   39   40   41   44   69   79   84   86   89   94   97  101  103  106  109  110 
LCS_GDT     H   101_A     H   101_A     35   42  109     19   30   35   38   39   40   41   44   73   79   84   86   89   94   97  101  103  106  109  110 
LCS_GDT     A   102_A     A   102_A     35   42  109     19   30   35   38   39   57   69   72   75   79   84   86   89   94   97  101  103  106  109  110 
LCS_GDT     P   103_A     P   103_A     35   42  109     19   30   35   38   39   67   69   72   75   79   84   86   89   94   97  101  103  106  109  110 
LCS_GDT     S   104_A     S   104_A     35   42  109     19   30   35   38   39   40   64   72   75   79   84   86   89   94   97  101  103  106  109  110 
LCS_GDT     S   105_A     S   105_A     35   42  109     19   30   35   38   39   40   41   47   73   79   84   86   89   91   96  100  103  106  109  110 
LCS_GDT     I   106_A     I   106_A     35   42  109     19   30   35   38   39   40   68   72   75   79   84   86   89   94   97  101  103  106  109  110 
LCS_GDT     K   107_A     K   107_A     35   42  109     19   30   35   38   39   67   69   72   75   79   84   86   89   94   97  101  103  106  109  110 
LCS_GDT     E   108_A     E   108_A     35   42  109     19   30   35   38   39   40   41   57   74   79   84   86   89   94   97  101  103  106  109  110 
LCS_GDT     E   109_A     E   109_A     35   42  109     19   30   35   38   39   40   41   44   45   69   84   86   89   94   97  101  103  106  109  110 
LCS_GDT     C   110_A     C   110_A     35   42  109     19   30   35   38   39   40   68   72   75   79   84   86   89   94   97  101  103  106  109  110 
LCS_GDT     V   111_A     V   111_A     35   42  109     13   30   35   38   39   50   69   72   75   79   84   86   89   94   97  101  103  106  109  110 
LCS_GDT     E   112_A     E   112_A     35   42  109     13   30   35   38   39   40   41   44   45   73   84   86   89   94   97  101  103  106  109  110 
LCS_GDT     L   113_A     L   113_A     35   42  109     14   30   35   38   39   40   41   44   45   54   84   86   89   94   97  101  103  106  109  110 
LCS_GDT     I   114_A     I   114_A     35   70  109     12   29   35   38   39   63   69   72   75   79   84   86   89   94   97  101  103  106  109  110 
LCS_GDT     D   115_A     D   115_A     35   70  109     12   29   35   38   39   40   41   71   75   79   84   86   89   94   97  101  103  106  109  110 
LCS_GDT     K   116_A     K   116_A     35   70  109      6   28   35   38   39   40   41   44   45   49   78   86   89   94   97  101  103  106  109  110 
LCS_GDT     L   117_A     L   117_A     35   70  109      6   28   35   38   39   40   41   44   55   79   84   86   89   94   97  101  103  106  109  110 
LCS_GDT     D   118_A     D   118_A     66   70  109      0    3   41   64   65   67   69   72   75   79   84   86   89   94   97  101  103  106  109  110 
LCS_GDT     W   119_A     W   119_A     66   70  109      3    4    4    7   19   22   54   69   75   79   84   86   89   94   97  101  103  106  109  110 
LCS_GDT     L   120_A     L   120_A     66   70  109      3   43   62   64   65   67   69   72   75   79   84   86   89   94   97  101  103  106  109  110 
LCS_GDT     R   121_A     R   121_A     66   70  109      3   60   62   64   65   67   69   72   75   79   84   86   89   94   97  101  103  106  109  110 
LCS_GDT     V   122_A     V   122_A     66   70  109      3   60   62   64   65   67   69   72   75   79   84   86   89   94   97  101  103  106  109  110 
LCS_GDT     E   123_A     E   123_A     66   70  109      3   20   60   64   65   67   69   72   75   79   84   86   89   94   97  101  103  106  109  110 
LCS_GDT     N   124_A     N   124_A     66   70  109      3    5   15   64   65   67   69   72   75   79   84   86   89   94   97  101  103  106  109  110 
LCS_GDT     D   125_A     D   125_A     66   70  109     19   60   62   64   65   67   69   72   75   79   84   86   89   94   97  101  103  106  109  110 
LCS_GDT     V   126_A     V   126_A     66   70  109     17   60   62   64   65   67   69   72   75   79   84   86   89   94   97  101  103  106  109  110 
LCS_GDT     I   127_A     I   127_A     66   70  109     43   60   62   64   65   67   69   72   75   79   84   86   89   94   97  101  103  106  109  110 
LCS_GDT     Q   128_A     Q   128_A     66   70  109     39   60   62   64   65   67   69   72   75   79   84   86   89   94   97  101  103  106  109  110 
LCS_GDT     Y   129_A     Y   129_A     66   70  109     43   60   62   64   65   67   69   72   75   79   84   86   89   94   97  101  103  106  109  110 
LCS_GDT     P   130_A     P   130_A     66   70  109     43   60   62   64   65   67   69   72   75   79   84   86   89   94   97  101  103  106  109  110 
LCS_GDT     T   131_A     T   131_A     66   70  109     43   60   62   64   65   67   69   72   75   79   84   86   89   94   97  101  103  106  109  110 
LCS_GDT     L   132_A     L   132_A     66   70  109     43   60   62   64   65   67   69   72   75   79   84   86   89   94   97  101  103  106  109  110 
LCS_GDT     S   133_A     S   133_A     66   70  109     43   60   62   64   65   67   69   72   75   79   84   86   89   94   97  101  103  106  109  110 
LCS_GDT     K   134_A     K   134_A     66   70  109     43   60   62   64   65   67   69   72   75   79   84   86   89   94   97  101  103  106  109  110 
LCS_GDT     L   135_A     L   135_A     66   70  109     43   60   62   64   65   67   69   72   75   79   84   86   89   94   97  101  103  106  109  110 
LCS_GDT     L   136_A     L   136_A     66   70  109     43   60   62   64   65   67   69   72   75   79   84   86   89   94   97  101  103  106  109  110 
LCS_GDT     E   137_A     E   137_A     66   70  109     43   60   62   64   65   67   69   72   75   79   84   86   89   94   97  101  103  106  109  110 
LCS_GDT     L   138_A     L   138_A     66   70  109     43   60   62   64   65   67   69   72   75   79   84   86   89   94   97  101  103  106  109  110 
LCS_GDT     Y   139_A     Y   139_A     66   70  109     43   60   62   64   65   67   69   72   75   79   84   86   89   94   97  101  103  106  109  110 
LCS_GDT     N   140_A     N   140_A     66   70  109     43   60   62   64   65   67   69   72   75   79   84   86   89   94   97  101  103  106  109  110 
LCS_GDT     S   141_A     S   141_A     66   70  109     43   60   62   64   65   67   69   72   75   79   84   86   89   94   97  101  103  106  109  110 
LCS_GDT     Q   142_A     Q   142_A     66   70  109      6   60   62   64   65   67   69   72   75   79   84   86   89   94   97  101  103  106  109  110 
LCS_GDT     N   143_A     N   143_A     66   70  109      6   57   62   64   65   67   69   72   75   79   84   86   89   94   97  101  103  106  109  110 
LCS_GDT     H   147_A     H   147_A     66   70  109     43   60   62   64   65   67   69   72   75   79   84   86   89   94   97  101  103  106  109  110 
LCS_GDT     L   148_A     L   148_A     66   70  109     41   60   62   64   65   67   69   72   75   79   84   86   89   94   97  101  103  106  109  110 
LCS_GDT     S   149_A     S   149_A     66   70  109     43   60   62   64   65   67   69   72   75   79   84   86   89   94   97  101  103  106  109  110 
LCS_GDT     I   150_A     I   150_A     66   70  109     43   60   62   64   65   67   69   72   75   79   84   86   89   94   97  101  103  106  109  110 
LCS_GDT     E   151_A     E   151_A     66   70  109     43   60   62   64   65   67   69   72   75   79   84   86   89   94   97  101  103  106  109  110 
LCS_GDT     K   152_A     K   152_A     66   70  109     43   60   62   64   65   67   69   72   75   79   84   86   89   94   97  101  103  106  109  110 
LCS_GDT     L   153_A     L   153_A     66   70  109     43   60   62   64   65   67   69   72   75   79   84   86   89   94   97  101  103  106  109  110 
LCS_GDT     I   154_A     I   154_A     66   70  109     43   60   62   64   65   67   69   72   75   79   84   86   89   94   97  101  103  106  109  110 
LCS_GDT     A   155_A     A   155_A     66   70  109     43   60   62   64   65   67   69   72   75   79   84   86   89   94   97  101  103  106  109  110 
LCS_GDT     G   156_A     G   156_A     66   70  109     43   60   62   64   65   67   69   72   75   79   84   86   89   94   97  101  103  106  109  110 
LCS_GDT     L   157_A     L   157_A     66   70  109     43   60   62   64   65   67   69   72   75   79   84   86   89   94   97  101  103  106  109  110 
LCS_GDT     A   158_A     A   158_A     66   70  109     43   60   62   64   65   67   69   72   75   79   84   86   89   94   97  101  103  106  109  110 
LCS_GDT     V   159_A     V   159_A     66   70  109     43   60   62   64   65   67   69   72   75   79   84   86   89   94   97  101  103  106  109  110 
LCS_GDT     R   160_A     R   160_A     66   70  109     43   60   62   64   65   67   69   72   75   79   84   86   89   94   97  101  103  106  109  110 
LCS_GDT     R   161_A     R   161_A     66   70  109     30   60   62   64   65   67   69   72   75   79   84   86   89   94   97  101  103  106  109  110 
LCS_GDT     K   162_A     K   162_A     66   70  109     42   60   62   64   65   67   69   72   75   79   84   86   89   94   97  101  103  106  109  110 
LCS_GDT     V   163_A     V   163_A     66   70  109     43   60   62   64   65   67   69   72   75   79   84   86   89   94   97  101  103  106  109  110 
LCS_GDT     C   164_A     C   164_A     66   70  109     24   60   62   64   65   67   69   72   75   79   84   86   89   94   97  101  103  106  109  110 
LCS_GDT     K   165_A     K   165_A     66   70  109     28   60   62   64   65   67   69   72   75   79   84   86   89   94   97  101  103  106  109  110 
LCS_GDT     L   166_A     L   166_A     66   70  109     43   60   62   64   65   67   69   72   75   79   84   86   89   94   97  101  103  106  109  110 
LCS_GDT     V   167_A     V   167_A     66   70  109     43   60   62   64   65   67   69   72   75   79   84   86   89   94   97  101  103  106  109  110 
LCS_GDT     Q   168_A     Q   168_A     66   70  109     43   60   62   64   65   67   69   72   75   79   84   86   89   94   97  101  103  106  109  110 
LCS_GDT     D   169_A     D   169_A     66   70  109     37   60   62   64   65   67   69   72   75   79   84   86   89   94   97  101  103  106  109  110 
LCS_GDT     G   170_A     G   170_A     66   70  109     43   60   62   64   65   67   69   72   75   79   84   86   89   94   97  101  103  106  109  110 
LCS_GDT     H   171_A     H   171_A     66   70  109     43   60   62   64   65   67   69   72   75   79   84   86   89   94   97  101  103  106  109  110 
LCS_GDT     I   172_A     I   172_A     66   70  109     43   60   62   64   65   67   69   72   75   79   84   86   89   94   97  101  103  106  109  110 
LCS_GDT     D   173_A     D   173_A     66   70  109     43   60   62   64   65   67   69   72   75   79   84   86   89   94   97  101  103  106  109  110 
LCS_GDT     E   174_A     E   174_A     66   70  109     36   60   62   64   65   67   69   72   75   79   84   86   89   94   97  101  103  106  109  110 
LCS_GDT     T   175_A     T   175_A     66   70  109     41   60   62   64   65   67   69   72   75   79   84   86   89   94   97  101  103  106  109  110 
LCS_GDT     V   176_A     V   176_A     66   70  109     43   60   62   64   65   67   69   72   75   79   84   86   89   94   97  101  103  106  109  110 
LCS_GDT     Y   177_A     Y   177_A     66   70  109     43   60   62   64   65   67   69   72   75   79   84   86   89   94   97  101  103  106  109  110 
LCS_GDT     R   178_A     R   178_A     66   70  109     43   60   62   64   65   67   69   72   75   79   84   86   89   94   97  101  103  106  109  110 
LCS_GDT     A   179_A     A   179_A     66   70  109     43   60   62   64   65   67   69   72   75   79   84   86   89   94   97  101  103  106  109  110 
LCS_GDT     L   180_A     L   180_A     66   70  109     43   60   62   64   65   67   69   72   75   79   84   86   89   94   97  101  103  106  109  110 
LCS_GDT     D   181_A     D   181_A     66   70  109     43   60   62   64   65   67   69   72   75   79   84   86   89   94   97  101  103  106  109  110 
LCS_GDT     E   182_A     E   182_A     66   70  109     43   60   62   64   65   67   69   72   75   79   84   86   89   94   97  101  103  106  109  110 
LCS_GDT     M   183_A     M   183_A     66   70  109     43   60   62   64   65   67   69   72   75   79   84   86   89   94   97  101  103  106  109  110 
LCS_GDT     A   184_A     A   184_A     66   70  109     40   60   62   64   65   67   69   72   75   79   84   86   89   94   97  101  103  106  109  110 
LCS_GDT     A   185_A     A   185_A     66   70  109     40   60   62   64   65   67   69   72   75   79   84   86   89   94   97  101  103  106  109  110 
LCS_GDT     G   186_A     G   186_A     66   70  109     32   60   62   64   65   67   69   72   75   79   84   86   89   94   97  101  103  106  109  110 
LCS_GDT     A   187_A     A   187_A     60   70  109      0    3   18   26   41   59   66   72   75   79   82   84   88   88   93   96  100  103  108  109 
LCS_AVERAGE  LCS_A:  52.44  (  36.50   41.89   78.92 )

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     43     60     62     64     65     67     69     72     75     79     84     86     89     94     97    101    103    106    109    110 
GDT PERCENT_AT  34.13  47.62  49.21  50.79  51.59  53.17  54.76  57.14  59.52  62.70  66.67  68.25  70.63  74.60  76.98  80.16  81.75  84.13  86.51  87.30
GDT RMS_LOCAL    0.33   0.49   0.56   0.69   0.76   1.18   1.34   1.72   2.07   2.49   3.07   3.06   3.46   3.79   4.08   4.33   4.49   4.75   5.03   5.16
GDT RMS_ALL_AT  10.76  10.72  10.72  10.74  10.74  10.52  10.83  10.79  10.95  10.46  10.59  10.32  10.36  10.24  10.16  10.07  10.06  10.04   9.99   9.93

# Checking swapping
#   possible swapping detected:  D    73_A      D    73_A
#   possible swapping detected:  E    74_A      E    74_A
#   possible swapping detected:  E    86_A      E    86_A
#   possible swapping detected:  E    89_A      E    89_A
#   possible swapping detected:  D   118_A      D   118_A
#   possible swapping detected:  Y   129_A      Y   129_A
#   possible swapping detected:  Y   139_A      Y   139_A
#   possible swapping detected:  E   151_A      E   151_A
#   possible swapping detected:  E   182_A      E   182_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    R    59_A      R    59_A    32.164     6    0.565   0.584    33.668    0.000    0.000
LGA    R    60_A      R    60_A    27.453     6    0.420   0.404    29.176    0.000    0.000
LGA    V    61_A      V    61_A    25.345     0    0.059   0.071    27.578    0.000    0.000
LGA    K    62_A      K    62_A    28.153     0    0.035   0.683    32.612    0.000    0.000
LGA    L    63_A      L    63_A    30.190     0    0.141   0.321    31.487    0.000    0.000
LGA    R    64_A      R    64_A    34.109     6    0.433   0.525    34.321    0.000    0.000
LGA    K    65_A      K    65_A    36.785     0    0.521   0.806    48.125    0.000    0.000
LGA    H    66_A      H    66_A    31.984     0    0.474   0.372    39.721    0.000    0.000
LGA    L    67_A      L    67_A    27.812     0    0.575   0.662    30.677    0.000    0.000
LGA    V    68_A      V    68_A    24.086     0    0.124   1.225    25.555    0.000    0.000
LGA    E    69_A      E    69_A    19.992     0    0.145   1.064    22.112    0.000    0.000
LGA    I    70_A      I    70_A    17.360     0    0.039   0.366    18.045    0.000    0.000
LGA    N    71_A      N    71_A    16.558     0    0.050   0.967    18.270    0.000    0.000
LGA    A    72_A      A    72_A    14.922     0    0.576   0.554    15.628    0.000    0.000
LGA    D    73_A      D    73_A    17.939     0    0.326   1.119    18.848    0.000    0.000
LGA    E    74_A      E    74_A    19.864     0    0.127   0.814    24.338    0.000    0.000
LGA    I    75_A      I    75_A    16.770     0    0.530   0.774    17.891    0.000    0.000
LGA    T    76_A      T    76_A    13.477     0    0.619   0.562    14.225    0.000    0.000
LGA    I    77_A      I    77_A    11.805     0    0.629   0.723    13.755    0.000    0.000
LGA    T    78_A      T    78_A    12.863     0    0.610   0.547    15.368    0.000    0.000
LGA    L    79_A      L    79_A     9.827     0    0.576   0.611    11.494    0.238    1.190
LGA    S    80_A      S    80_A     6.763     0    0.641   0.591     7.206   15.476   19.127
LGA    R    81_A      R    81_A     5.679     0    0.106   0.808    11.866   19.286    9.394
LGA    Y    82_A      Y    82_A     8.444     0    0.077   0.144    10.408    4.048    1.746
LGA    T    83_A      T    83_A    10.141     0    0.038   1.036    10.141    1.190    0.952
LGA    S    84_A      S    84_A    11.571     0    0.029   0.093    14.302    0.000    0.000
LGA    P    85_A      P    85_A    10.045     0    0.047   0.086    11.376    0.119    0.068
LGA    E    86_A      E    86_A    12.930     0    0.129   0.139    16.114    0.000    0.000
LGA    A    87_A      A    87_A    12.386     0    0.072   0.089    12.944    0.000    0.000
LGA    L    88_A      L    88_A     7.927     0    0.069   0.152     9.427    7.262   15.774
LGA    E    89_A      E    89_A     8.453     0    0.045   0.930    10.417    3.929    2.169
LGA    R    90_A      R    90_A    11.359     0    0.018   0.902    16.400    0.000    0.000
LGA    S    91_A      S    91_A     9.804     0    0.055   0.083    11.206    2.024    1.429
LGA    I    92_A      I    92_A     5.963     0    0.064   0.124     7.216   17.500   25.893
LGA    T    93_A      T    93_A     8.078     0    0.036   0.080     9.953    5.119    3.605
LGA    A    94_A      A    94_A    11.008     0    0.026   0.024    12.278    0.119    0.095
LGA    L    95_A      L    95_A     9.572     0    0.033   0.140    11.484    1.310    1.012
LGA    A    96_A      A    96_A     6.524     0    0.042   0.070     7.422   10.833   13.905
LGA    A    97_A      A    97_A     9.440     0    0.026   0.061    11.247    1.548    1.238
LGA    M    98_A      M    98_A    13.039     0    0.022   0.751    18.397    0.000    0.000
LGA    T    99_A      T    99_A    11.819     0    0.030   0.048    12.321    0.000    0.068
LGA    G   100_A      G   100_A     8.409     0    0.030   0.030     9.370    5.833    5.833
LGA    H   101_A      H   101_A     7.521     5    0.021   0.031     8.163   15.476    6.667
LGA    A   102_A      A   102_A     5.126     0    0.043   0.087     6.197   26.310   24.476
LGA    P   103_A      P   103_A     3.438     0    0.066   0.084     4.134   43.452   44.354
LGA    S   104_A      S   104_A     6.502     0    0.025   0.158     7.882   15.714   12.857
LGA    S   105_A      S   105_A     7.978     0    0.100   0.474    11.533    8.571    6.190
LGA    I   106_A      I   106_A     5.771     0    0.022   0.066     6.625   24.048   21.786
LGA    K   107_A      K   107_A     4.119     0    0.038   0.287     8.693   32.976   25.503
LGA    E   108_A      E   108_A     7.700     3    0.051   0.693     9.118    9.048    4.709
LGA    E   109_A      E   109_A     8.368     0    0.034   0.872    12.218    7.262    3.386
LGA    C   110_A      C   110_A     5.147     0    0.028   0.057     5.939   27.619   28.175
LGA    V   111_A      V   111_A     5.177     0    0.013   0.058     7.237   22.976   20.068
LGA    E   112_A      E   112_A     8.501     0    0.045   0.624    14.407    5.119    2.328
LGA    L   113_A      L   113_A     8.001     0    0.035   0.221    11.878    8.810    5.119
LGA    I   114_A      I   114_A     4.322     0    0.115   0.119     5.315   31.548   35.893
LGA    D   115_A      D   115_A     6.407     0    0.137   0.904     7.791   15.119   12.738
LGA    K   116_A      K   116_A     8.646     2    0.233   0.222    11.922    5.714    2.593
LGA    L   117_A      L   117_A     6.487     0    0.622   0.681     9.671   17.500   13.095
LGA    D   118_A      D   118_A     2.190     0    0.643   1.115     4.382   52.262   58.750
LGA    W   119_A      W   119_A     5.074     0    0.702   0.597    15.849   40.714   12.551
LGA    L   120_A      L   120_A     1.218     0    0.647   0.508     2.513   71.190   82.083
LGA    R   121_A      R   121_A     1.301     0    0.069   1.081     2.498   79.286   76.883
LGA    V   122_A      V   122_A     1.285     0    0.188   0.212     2.120   79.286   77.823
LGA    E   123_A      E   123_A     1.784     4    0.033   0.054     2.200   72.976   40.529
LGA    N   124_A      N   124_A     2.140     0    0.062   0.163     5.076   75.119   55.655
LGA    D   125_A      D   125_A     1.468     0    0.077   0.762     2.795   83.690   73.274
LGA    V   126_A      V   126_A     1.288     0    0.055   0.107     2.612   81.429   73.197
LGA    I   127_A      I   127_A     0.589     0    0.044   1.136     3.110   95.238   80.417
LGA    Q   128_A      Q   128_A     0.136     0    0.114   0.983     2.157  100.000   91.111
LGA    Y   129_A      Y   129_A     0.488     0    0.023   0.158     1.861   92.857   86.786
LGA    P   130_A      P   130_A     0.774     0    0.036   0.065     0.901   90.476   90.476
LGA    T   131_A      T   131_A     0.638     0    0.026   0.075     0.753   90.476   91.837
LGA    L   132_A      L   132_A     0.490     0    0.026   0.144     0.594   92.857   95.238
LGA    S   133_A      S   133_A     0.664     0    0.055   0.606     2.218   90.476   86.190
LGA    K   134_A      K   134_A     0.526     4    0.065   0.064     0.741   90.476   50.265
LGA    L   135_A      L   135_A     0.611     0    0.031   0.089     0.611   90.476   91.667
LGA    L   136_A      L   136_A     0.601     0    0.030   0.259     1.359   90.476   88.214
LGA    E   137_A      E   137_A     0.455     4    0.056   0.056     0.540   95.238   52.381
LGA    L   138_A      L   138_A     0.430     3    0.041   0.040     0.609   95.238   60.119
LGA    Y   139_A      Y   139_A     0.602     0    0.021   0.087     0.981   90.476   90.476
LGA    N   140_A      N   140_A     0.399     0    0.082   0.084     0.640   97.619   95.238
LGA    S   141_A      S   141_A     0.347     0    0.159   0.205     0.721  100.000   98.413
LGA    Q   142_A      Q   142_A     0.953     4    0.189   0.185     1.071   88.214   49.259
LGA    N   143_A      N   143_A     1.311     3    0.070   0.101     1.311   81.429   50.893
LGA    H   147_A      H   147_A     0.471     0    0.085   1.175     2.650   97.619   87.571
LGA    L   148_A      L   148_A     0.267     0    0.040   0.093     0.750  100.000   96.429
LGA    S   149_A      S   149_A     0.193     0    0.028   0.114     0.541  100.000   98.413
LGA    I   150_A      I   150_A     0.498     0    0.014   0.113     0.649  100.000   96.429
LGA    E   151_A      E   151_A     0.367     0    0.030   0.349     0.932  100.000   96.825
LGA    K   152_A      K   152_A     0.386     0    0.042   0.664     1.910  100.000   93.810
LGA    L   153_A      L   153_A     0.502     0    0.033   0.109     0.696   97.619   94.048
LGA    I   154_A      I   154_A     0.435     0    0.036   0.094     0.659   97.619   96.429
LGA    A   155_A      A   155_A     0.542     0    0.046   0.061     0.618   90.476   92.381
LGA    G   156_A      G   156_A     0.449     0    0.039   0.039     0.449  100.000  100.000
LGA    L   157_A      L   157_A     0.472     0    0.057   0.083     0.504  100.000   98.810
LGA    A   158_A      A   158_A     0.639     0    0.146   0.163     0.797   90.476   90.476
LGA    V   159_A      V   159_A     1.067     0    0.231   0.258     1.502   79.286   81.497
LGA    R   160_A      R   160_A     0.952     0    0.099   0.941     2.895   88.214   82.554
LGA    R   161_A      R   161_A     1.466     0    0.086   1.102    10.429   81.429   46.450
LGA    K   162_A      K   162_A     1.297     0    0.050   0.525     2.999   81.429   73.228
LGA    V   163_A      V   163_A     0.755     0    0.015   0.056     0.964   90.476   90.476
LGA    C   164_A      C   164_A     1.138     0    0.018   0.719     1.824   83.690   81.508
LGA    K   165_A      K   165_A     1.309     0    0.028   0.545     2.533   81.429   75.873
LGA    L   166_A      L   166_A     1.022     0    0.053   0.141     1.230   85.952   87.083
LGA    V   167_A      V   167_A     0.844     0    0.026   0.062     0.920   90.476   90.476
LGA    Q   168_A      Q   168_A     0.973     0    0.006   1.126     4.027   90.476   78.624
LGA    D   169_A      D   169_A     1.039     0    0.028   0.139     1.427   81.429   82.560
LGA    G   170_A      G   170_A     0.997     0    0.057   0.057     1.150   83.690   83.690
LGA    H   171_A      H   171_A     0.955     0    0.054   0.254     1.320   85.952   85.048
LGA    I   172_A      I   172_A     0.616     0    0.044   0.723     2.700   90.476   86.310
LGA    D   173_A      D   173_A     0.565     0    0.043   0.170     1.086   90.476   89.345
LGA    E   174_A      E   174_A     0.804     4    0.009   0.021     0.928   90.476   50.265
LGA    T   175_A      T   175_A     0.377     0    0.021   0.301     0.795  100.000   97.279
LGA    V   176_A      V   176_A     0.395     0    0.015   0.129     0.891  100.000   95.918
LGA    Y   177_A      Y   177_A     0.667     7    0.019   0.026     0.775   90.476   37.698
LGA    R   178_A      R   178_A     0.525     0    0.041   1.348     6.937   92.857   69.610
LGA    A   179_A      A   179_A     0.260     0    0.037   0.043     0.455  100.000  100.000
LGA    L   180_A      L   180_A     0.527     0    0.032   0.071     0.599   92.857   96.429
LGA    D   181_A      D   181_A     0.670     0    0.047   0.436     1.742   90.476   86.012
LGA    E   182_A      E   182_A     0.702     0    0.016   0.219     1.303   90.476   89.471
LGA    M   183_A      M   183_A     0.552     0    0.053   0.083     0.800   90.476   94.048
LGA    A   184_A      A   184_A     0.763     0    0.052   0.077     1.101   88.214   88.667
LGA    A   185_A      A   185_A     1.001     0    0.122   0.149     1.571   81.548   83.333
LGA    G   186_A      G   186_A     1.164     0    0.593   0.593     3.782   70.000   70.000
LGA    A   187_A      A   187_A     5.979     0    0.088   0.131     7.815   27.024   23.048

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      126     504    504  100.00     936    936  100.00               126
SUMMARY(RMSD_GDC):     9.311          9.200                  9.872           49.878   45.328

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  187  126    4.0     72    1.72    58.929    54.323     3.956

LGA_LOCAL      RMSD:   1.720  Number of atoms:   72  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  10.786  Number of assigned atoms:  126 
Std_ASGN_ATOMS RMSD:   9.311  Standard rmsd on all 126 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.963269 * X  +  -0.214415 * Y  +   0.161676 * Z  + -18.570707
  Y_new =  -0.242632 * X  +   0.436922 * Y  +  -0.866158 * Z  +  17.072510
  Z_new =   0.115077 * X  +  -0.873571 * Y  +  -0.472897 * Z  +  15.277275 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.894842 -0.115333 -2.066965   [DEG: -165.8622   -6.6081 -118.4284 ]
ZXZ:  0.184535  2.063372  3.010615   [DEG:   10.5731  118.2225  172.4955 ]
 
# END of job
