
#######################################################
#                                                     #
#                        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  177 ( 1434),  selected  177 , name one
# Molecule2: number of CA atoms  353 ( 2869),  selected  177 , 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:   116     177_A - 292_A       4.97    12.87
  LCS_AVERAGE:     24.21

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    40     237_A - 276_A       1.91    14.53
  LCS_AVERAGE:      7.01

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    23     237_A - 259_A       0.86    16.89
  LONGEST_CONTINUOUS_SEGMENT:    23     238_A - 260_A       0.93    17.77
  LCS_AVERAGE:      3.84

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  177
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     V   116_A     V   116_A      5   10   20      4    4    7    8    9   14   24   32   37   46   63   68   82   94  104  108  113  116  117  121 
LCS_GDT     R   117_A     R   117_A      7   10   20      4    4    7    8    9    9   19   28   37   41   45   51   66   70   82   94   99  110  116  121 
LCS_GDT     E   118_A     E   118_A      7   10   20      4    7   13   18   20   21   22   28   37   41   45   51   66   70   79   88   97  102  114  121 
LCS_GDT     L   119_A     L   119_A      7   10   20      6    7    7    8    9   17   24   29   37   44   63   68   75   83   96  106  113  114  117  121 
LCS_GDT     L   120_A     L   120_A      7   10   20      6    7    7   10   19   20   29   39   47   54   63   68   82   94  104  108  113  116  117  121 
LCS_GDT     D   121_A     D   121_A      7   10   20      6    7    7    8    9   15   18   28   39   46   53   60   75   83   85   94   97  110  114  121 
LCS_GDT     T   122_A     T   122_A      7   10   20      6    7    7    8    9   11   18   23   31   38   50   57   62   66   78   85   89  102  108  113 
LCS_GDT     L   123_A     L   123_A      7   10   20      6    7    7    8    9   16   26   33   39   46   55   65   74   83   85   94   97  106  109  121 
LCS_GDT     F   124_A     F   124_A      7   10   20      6    7    7    8    9   19   26   33   40   47   59   65   74   83   85   94   97  106  109  121 
LCS_GDT     A   125_A     A   125_A      5   10   20      3    4    5    8    8   16   26   33   38   46   59   65   74   81   82   94   97  102  109  117 
LCS_GDT     G   126_A     G   126_A      4    9   20      3    4    5    8    9   12   25   29   32   32   55   62   63   81   82   88   95  102  108  113 
LCS_GDT     T   127_A     T   127_A      4    6   24      3    4    5    5    7    7    7   10   12   16   26   43   48   53   60   61   65   80   85   90 
LCS_GDT     S   128_A     S   128_A      4    6   26      3    4    5    5    7    7    7   22   25   28   35   41   45   47   51   52   57   63   79   83 
LCS_GDT     V   129_A     V   129_A      4    6   30      3    4    5    5    7    8   11   22   25   28   35   41   45   47   51   68   70   73   79   85 
LCS_GDT     Y   130_A     Y   130_A      3   20   30      3    6   11   14   16   21   22   23   25   28   35   41   45   47   51   52   57   73   79   83 
LCS_GDT     E   131_A     E   131_A     15   20   30     10   14   16   18   20   21   22   23   24   27   35   41   45   47   61   68   70   73   79   83 
LCS_GDT     A   132_A     A   132_A     15   20   30     10   14   16   18   20   21   22   23   25   27   28   29   30   32   35   56   61   80   85   90 
LCS_GDT     M   133_A     M   133_A     15   20   30     10   14   16   18   20   21   22   23   25   39   42   48   51   57   76   81   85   91   96   99 
LCS_GDT     L   134_A     L   134_A     15   20   30      8   14   16   17   20   21   23   36   50   61   67   73   80   95   99  105  108  113  118  118 
LCS_GDT     Q   135_A     Q   135_A     15   20   30     10   14   16   18   20   21   22   23   25   38   47   51   58   69   94  101  108  113  115  116 
LCS_GDT     E   136_A     E   136_A     15   20   30     10   14   16   18   20   21   22   23   25   27   28   29   30   69   76   81   85   91  112  116 
LCS_GDT     Y   137_A     Y   137_A     15   20   30     10   14   16   18   20   21   50   67   79   87   94   99  102  102  105  109  113  116  118  121 
LCS_GDT     A   138_A     A   138_A     15   20   30     10   14   16   18   30   53   72   82   88   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     S   139_A     S   139_A     15   20   30     10   14   16   18   20   21   22   53   67   75   85   91   98   99  101  103  105  108  113  121 
LCS_GDT     C   140_A     C   140_A     15   20   30     10   14   16   18   20   24   46   58   70   77   85   96   98   99  101  103  105  108  114  121 
LCS_GDT     L   141_A     L   141_A     15   20   30     10   14   16   18   20   21   39   60   71   80   89   96   98   99  102  103  105  108  114  121 
LCS_GDT     L   142_A     L   142_A     15   20   30     10   14   16   18   20   21   25   30   38   44   71   75   82   94   96  102  104  106  113  116 
LCS_GDT     F   143_A     F   143_A     15   20   30      4   14   16   18   20   21   22   23   25   27   28   29   39   43   50   77   90   92   94  104 
LCS_GDT     M   144_A     M   144_A     15   20   30     10   14   15   18   20   21   22   23   25   28   30   34   39   56   62   79   90   92   94   99 
LCS_GDT     A   145_A     A   145_A     15   20   30      4    6   12   18   20   21   22   23   25   27   28   34   39   43   50   51   54   77   82   86 
LCS_GDT     E   146_A     E   146_A      9   20   30      4    6   11   18   20   21   22   23   25   27   28   31   33   35   40   50   51   57   61   68 
LCS_GDT     K   147_A     K   147_A      9   20   30      4   10   16   18   20   21   22   23   25   27   28   29   30   31   32   37   40   51   53   59 
LCS_GDT     T   148_A     T   148_A      7   20   30      4   10   16   18   20   21   22   23   25   27   28   29   30   31   35   37   40   51   53   59 
LCS_GDT     R   149_A     R   149_A      4   20   30      4    4    8   14   18   21   22   23   25   27   28   29   30   32   35   37   40   41   45   48 
LCS_GDT     D   150_A     D   150_A      4   20   30      4    4    4    5    8   11   12   19   23   27   28   29   30   32   35   37   38   39   45   46 
LCS_GDT     H   151_A     H   151_A      4    6   30      4    4    4    5    8   11   12   15   18   22   24   26   30   32   35   37   40   41   45   46 
LCS_GDT     Q   152_A     Q   152_A      4   16   30      3    3    4    5    8   11   15   17   19   22   25   27   30   32   35   37   40   41   45   46 
LCS_GDT     S   153_A     S   153_A     15   16   30      9   13   13   15   15   15   16   17   19   22   25   27   33   41   43   50   51   54   57   60 
LCS_GDT     D   154_A     D   154_A     15   16   30     11   13   13   15   15   15   16   17   19   22   25   28   33   41   43   50   51   77   82   86 
LCS_GDT     L   155_A     L   155_A     15   16   30     11   13   13   15   15   15   16   17   19   22   25   28   35   56   62   66   69   77   82   95 
LCS_GDT     C   156_A     C   156_A     15   16   30     11   13   13   15   15   15   16   17   19   22   25   28   35   56   62   66   69   77   91   95 
LCS_GDT     K   157_A     K   157_A     15   16   30     11   13   13   15   15   15   16   17   19   22   25   28   35   43   62   66   69   87   91   95 
LCS_GDT     K   158_A     K   158_A     15   16   30     11   13   13   15   15   15   16   24   29   44   52   59   63   71   81   83   90   99  104  106 
LCS_GDT     Y   159_A     Y   159_A     15   16   29     11   13   13   15   15   15   17   34   38   44   52   69   72   83   90   96  100  103  104  110 
LCS_GDT     I   160_A     I   160_A     15   16   29     11   13   13   15   15   15   16   17   20   28   30   59   63   75   81   83   99  102  104  109 
LCS_GDT     E   161_A     E   161_A     15   16   29     11   13   13   15   15   15   16   17   23   28   30   34   39   75   81   95  100  104  106  109 
LCS_GDT     A   162_A     A   162_A     15   16   29     11   13   13   15   15   15   16   54   70   79   92   96   98   99  101  103  105  108  113  121 
LCS_GDT     I   163_A     I   163_A     15   16   29     10   13   13   15   29   38   55   64   71   79   92   96   98   99  101  103  105  108  115  121 
LCS_GDT     A   164_A     A   164_A     15   16   29     11   13   13   15   21   31   37   49   58   69   77   84   89   93  101  102  103  106  111  116 
LCS_GDT     S   165_A     S   165_A     15   16   29     11   13   13   20   28   39   48   62   69   75   84   88   96   99  101  103  105  108  113  121 
LCS_GDT     S   166_A     S   166_A     15   16   29      6    8   13   23   37   47   55   63   70   74   81   88   94   98  101  103  105  108  115  121 
LCS_GDT     P   167_A     P   167_A     15   16   29      6    8    8   15   15   15   16   17   19   46   55   66   75   78   85   90   98  105  113  116 
LCS_GDT     S   168_A     S   168_A      7   16   29      6    8    8    8    9   11   15   17   19   22   25   27   30   32   35   42   62   74  100  111 
LCS_GDT     R   169_A     R   169_A      7    8   27      6    8    8    8    9   12   21   28   45   53   57   73   86   96  102  109  113  116  118  121 
LCS_GDT     Y   170_A     Y   170_A      7    8   27      6    8    8    8    9   10   13   28   47   53   68   79   89   97  104  109  113  116  118  121 
LCS_GDT     Y   171_A     Y   171_A      7    8   26      6    8    8    8    9   11   13   16   19   21   24   27   29   31   33   41   49   55   60   82 
LCS_GDT     R   172_A     R   172_A      7    8   26      4    8    8    8    9   10   13   15   17   19   23   27   29   31   33   41   49   63   73   77 
LCS_GDT     L   173_A     L   173_A      4    8   26      3    3    4    8    9   10   11   12   13   15   19   21   29   33   37   41   52   84   88   95 
LCS_GDT     R   174_A     R   174_A      4    5   26      3    3    4    4    5    8    9   10   10   12   18   21   22   24   28   40   65   72   84   90 
LCS_GDT     D   175_A     D   175_A      4    5   26      0    3    5    6    7    7   13   15   19   21   24   27   29   31   37   59   65   72   75   90 
LCS_GDT     C   176_A     C   176_A      3    5   26      1    3    3    4    9   12   13   15   22   28   34   57   66   70   85   94   99  110  114  121 
LCS_GDT     D   177_A     D   177_A      3    8  116      3    4    6    7    9   11   13   16   22   31   39   57   69   74   93  106  113  116  117  121 
LCS_GDT     A   178_A     A   178_A      3    8  116      3    3    6    7    8   10   13   16   20   27   33   45   56   70   83   91  105  116  116  121 
LCS_GDT     Q   179_A     Q   179_A      3    8  116      3    3    4   10   10   11   12   14   20   26   33   48   66   74   95  103  109  116  117  121 
LCS_GDT     V   180_A     V   180_A      5    8  116      4    5    6   10   19   26   31   39   47   55   71   82  100  102  105  109  113  116  118  121 
LCS_GDT     R   181_A     R   181_A      5    8  116      4    5    6    7   10   20   31   43   55   65   71   78   87  102  105  109  113  116  118  121 
LCS_GDT     L   182_A     L   182_A      5    8  116      4    5    6    7    8    9   10   14   17   38   63   68   76   92  104  108  113  116  118  121 
LCS_GDT     F   183_A     F   183_A      5   10  116      4    5    6    7    8    9   12   16   23   41   50   70   82   98  105  109  113  116  118  121 
LCS_GDT     I   184_A     I   184_A      9   10  116      8    9    9   10   10   11   15   39   55   65   72   81   98  102  105  109  113  116  118  121 
LCS_GDT     A   185_A     A   185_A      9   10  116      8    9    9   10   10   11   12   14   18   26   55   70   79   94  105  109  113  116  118  121 
LCS_GDT     A   186_A     A   186_A      9   10  116      8    9    9   10   10   11   16   21   24   46   56   71   77   98  104  109  113  116  118  121 
LCS_GDT     A   187_A     A   187_A      9   10  116      8    9    9   10   19   20   29   39   58   66   76   88  100  102  105  109  113  116  118  121 
LCS_GDT     V   188_A     V   188_A      9   10  116      8    9    9   10   10   11   12   14   23   40   60   77   86  100  105  109  113  116  118  121 
LCS_GDT     A   189_A     A   189_A      9   10  116      8    9    9   10   10   11   12   14   17   18   22   28   36   84   89   96  111  116  118  121 
LCS_GDT     C   190_A     C   190_A      9   10  116      8    9    9   10   10   11   16   21   24   32   58   71   77   98  103  109  113  116  118  121 
LCS_GDT     N   191_A     N   191_A      9   10  116      8    9    9   10   10   11   12   14   37   54   74   82  100  102  105  109  113  116  118  121 
LCS_GDT     D   192_A     D   192_A      9   10  116      3    9    9   10   10   11   12   14   17   22   26   42   77   89  101  109  113  116  118  121 
LCS_GDT     L   193_A     L   193_A      4    6  116      3    4    5    7    7    7   36   56   70   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     D   194_A     D   194_A      4   34  116      3    4   10   39   48   59   72   82   88   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     P   195_A     P   195_A      4   34  116      3    4    6   39   51   62   72   82   88   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     D   196_A     D   196_A      8   34  116      3   13   22   39   48   59   72   82   88   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     F   197_A     F   197_A      8   34  116      3    9   31   44   51   62   72   82   88   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     T   198_A     T   198_A      8   34  116      3   10   23   39   51   62   72   82   88   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     E   199_A     E   199_A     15   34  116      6   11   22   34   48   57   71   79   88   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     M   200_A     M   200_A     15   34  116      4    9   16   21   34   52   64   73   83   92   94  100  102  102  104  109  113  116  118  121 
LCS_GDT     E   201_A     E   201_A     15   34  116      4   11   24   37   48   62   72   82   88   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     Y   202_A     Y   202_A     15   34  116      4   11   23   35   48   62   72   82   88   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     Q   203_A     Q   203_A     16   34  116      3    9   17   27   44   53   69   79   88   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     A   204_A     A   204_A     19   34  116      4   13   23   35   48   62   72   82   88   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     M   205_A     M   205_A     22   34  116      6   14   30   44   51   62   72   82   88   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     A   206_A     A   206_A     22   34  116      6   14   30   44   51   62   72   82   88   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     E   207_A     E   207_A     22   34  116      6   15   30   44   51   62   72   82   88   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     I   208_A     I   208_A     22   34  116      6   16   30   44   51   62   72   82   88   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     G   209_A     G   209_A     22   34  116      6   19   31   44   51   62   72   82   88   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     I   210_A     I   210_A     22   34  116      6   19   31   44   51   62   72   82   88   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     T   211_A     T   211_A     22   34  116      7   19   31   44   51   62   72   82   88   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     L   212_A     L   212_A     22   34  116      5   19   31   44   51   62   72   82   88   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     Y   213_A     Y   213_A     22   34  116      6   19   31   44   51   62   72   82   88   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     D   214_A     D   214_A     22   34  116      5   17   30   44   51   62   72   82   88   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     A   215_A     A   215_A     22   34  116      5   19   31   44   51   62   72   82   88   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     V   216_A     V   216_A     22   34  116     10   19   31   44   51   62   72   82   88   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     A   217_A     A   217_A     22   34  116     10   19   31   44   51   62   72   82   88   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     F   218_A     F   218_A     22   34  116     10   19   31   44   51   62   72   82   88   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     Y   219_A     Y   219_A     22   34  116     10   19   31   44   51   62   72   82   88   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     K   220_A     K   220_A     22   34  116     10   19   31   44   51   62   72   82   88   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     H   221_A     H   221_A     22   34  116     10   19   31   44   51   62   72   82   88   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     R   222_A     R   222_A     22   34  116     10   19   31   44   51   62   72   82   88   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     A   223_A     A   223_A     22   34  116     10   19   31   44   51   62   72   82   88   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     E   224_A     E   224_A     22   34  116     10   19   31   44   51   62   72   82   88   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     A   225_A     A   225_A     22   34  116     10   19   26   40   51   62   72   82   88   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     E   226_A     E   226_A     22   34  116     10   19   25   39   51   62   72   82   88   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     V   227_A     V   227_A     15   34  116      3    5    5   11   20   38   55   66   81   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     S   228_A     S   228_A      5   29  116      4    8    8   17   25   40   56   64   81   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     N   229_A     N   229_A      5   29  116      4    6   19   38   48   61   72   82   88   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     L   230_A     L   230_A      5   29  116      4   17   24   39   48   61   72   82   88   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     Y   231_A     Y   231_A      3   28  116      3    5   11   32   48   61   72   82   88   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     A   232_A     A   232_A      5    5  116      4    4   14   21   25   31   40   56   71   84   96  100  102  102  105  109  113  116  118  121 
LCS_GDT     Y   233_A     Y   233_A      5    5  116      4    4    5   10   19   34   47   62   81   92   96  100  102  102  105  109  113  116  118  121 
LCS_GDT     C   234_A     C   234_A      5    5  116      4    4    6    8   19   20   24   47   63   86   96   99  102  102  105  109  113  116  118  121 
LCS_GDT     G   235_A     G   235_A      5    5  116      4    4    6   12   23   37   55   69   87   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     Q   236_A     Q   236_A      5   33  116      3    4    7   16   31   48   69   79   88   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     D   237_A     D   237_A     23   40  116      4   17   31   44   51   62   72   82   88   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     L   238_A     L   238_A     23   40  116      9   18   31   44   51   62   72   82   88   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     E   239_A     E   239_A     23   40  116      9   19   31   44   51   62   72   82   88   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     F   240_A     F   240_A     23   40  116      9   19   31   44   51   62   72   82   88   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     R   241_A     R   241_A     23   40  116      9   19   31   44   51   62   72   82   88   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     Q   242_A     Q   242_A     23   40  116      9   19   31   44   51   62   72   82   88   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     E   243_A     E   243_A     23   40  116     11   19   31   44   51   62   72   82   88   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     V   244_A     V   244_A     23   40  116     11   19   26   44   51   62   72   82   88   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     Y   245_A     Y   245_A     23   40  116     11   19   31   44   51   62   72   82   88   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     Q   246_A     Q   246_A     23   40  116     11   19   31   44   51   62   72   82   88   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     T   247_A     T   247_A     23   40  116     11   19   26   44   51   62   72   82   88   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     A   248_A     A   248_A     23   40  116     10   19   25   44   51   62   72   82   88   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     R   249_A     R   249_A     23   40  116     11   19   31   44   51   62   72   82   88   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     S   250_A     S   250_A     23   40  116     11   19   31   44   51   62   72   82   88   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     T   251_A     T   251_A     23   40  116     10   19   25   40   51   62   72   82   88   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     L   252_A     L   252_A     23   40  116     10   19   31   44   51   62   72   82   88   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     W   253_A     W   253_A     23   40  116     11   19   31   44   51   62   72   82   88   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     A   254_A     A   254_A     23   40  116     11   19   26   39   50   59   72   82   88   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     L   255_A     L   255_A     23   40  116     11   19   31   44   51   62   72   82   88   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     E   256_A     E   256_A     23   40  116      9   19   31   44   51   62   72   82   88   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     T   257_A     T   257_A     23   40  116     11   19   25   38   50   59   68   82   88   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     M   258_A     M   258_A     23   40  116      9   19   25   39   50   59   69   82   88   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     W   259_A     W   259_A     23   40  116      9   19   31   44   51   62   72   82   88   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     C   260_A     C   260_A     23   40  116      4   14   22   30   37   51   62   75   86   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     K   261_A     K   261_A     21   40  116      5   13   22   29   42   51   60   73   86   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     T   262_A     T   262_A     21   40  116      5   16   23   39   50   59   71   82   88   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     V   263_A     V   263_A     19   40  116      5    8   14   21   30   47   62   74   86   92   97  100  102  102  104  109  113  116  118  121 
LCS_GDT     Q   264_A     Q   264_A     19   40  116      5   13   22   37   51   62   71   82   88   92   97  100  102  102  104  109  113  116  118  121 
LCS_GDT     G   265_A     G   265_A     19   40  116      5   13   25   43   51   62   72   82   88   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     R   266_A     R   266_A     15   40  116      6   13   23   44   51   62   72   82   88   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     S   267_A     S   267_A     15   40  116      6   15   30   44   51   62   72   82   88   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     A   268_A     A   268_A     15   40  116      8   19   26   44   51   62   72   82   88   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     I   269_A     I   269_A     15   40  116      6   13   17   34   48   62   72   82   88   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     N   270_A     N   270_A     15   40  116      6   13   22   35   51   62   72   82   88   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     L   271_A     L   271_A     15   40  116      6   13   28   44   51   62   72   82   88   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     L   272_A     L   272_A     15   40  116      6   16   25   37   51   62   72   82   88   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     K   273_A     K   273_A     15   40  116      6   13   17   22   45   56   67   78   87   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     N   274_A     N   274_A     15   40  116      6   13   17   34   48   61   72   82   88   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     L   275_A     L   275_A     15   40  116      6   13   20   39   51   62   72   82   88   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     P   276_A     P   276_A     15   40  116      3   10   20   35   49   62   72   82   88   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     L   277_A     L   277_A     15   38  116      6   13   22   34   48   62   72   82   88   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     I   278_A     I   278_A     15   26  116      6   19   25   39   51   62   72   82   88   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     H   279_A     H   279_A     13   26  116      3   17   25   39   49   61   72   82   88   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     M   280_A     M   280_A     12   26  116      5   10   24   39   51   62   72   82   88   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     S   281_A     S   281_A     12   26  116      6   10   16   28   46   59   72   82   88   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     M   282_A     M   282_A     12   26  116      6   10   16   27   46   58   72   82   88   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     R   283_A     R   283_A     12   26  116      6   10   15   19   28   44   57   76   88   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     R   284_A     R   284_A     12   26  116      6   10   15   19   28   45   59   78   88   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     Y   285_A     Y   285_A     12   26  116      6   10   15   19   30   51   69   82   88   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     R   286_A     R   286_A      9   26  116      3    6   14   28   48   61   72   82   88   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     F   287_A     F   287_A      9   26  116      3   10   15   21   40   57   72   82   88   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     V   288_A     V   288_A      9   26  116      3    9   15   21   40   57   72   82   88   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     E   289_A     E   289_A      9   26  116      3    9   15   19   23   36   55   78   88   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     D   290_A     D   290_A      9   25  116      3    9   15   19   23   35   55   82   88   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     G   291_A     G   291_A      7   25  116      3    7   11   16   19   39   55   82   88   92   97  100  102  102  105  109  113  116  118  121 
LCS_GDT     L   292_A     L   292_A      7   24  116      3    7   11   14   19   39   55   82   88   92   97  100  102  102  105  109  113  116  118  121 
LCS_AVERAGE  LCS_A:  11.69  (   3.84    7.01   24.21 )

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     11     19     31     44     51     62     72     82     88     92     97    100    102    102    105    109    113    116    118    121 
GDT PERCENT_AT   3.12   5.38   8.78  12.46  14.45  17.56  20.40  23.23  24.93  26.06  27.48  28.33  28.90  28.90  29.75  30.88  32.01  32.86  33.43  34.28
GDT RMS_LOCAL    0.27   0.57   1.01   1.37   1.57   1.89   2.22   2.55   2.77   2.91   3.18   3.33   3.43   3.43   4.08   4.29   4.56   4.80   4.93   5.22
GDT RMS_ALL_AT  24.87  18.59  12.83  13.03  13.11  12.91  12.74  12.70  12.67  12.67  12.63  12.63  12.62  12.62  12.62  12.68  12.63  12.67  12.67  12.61

# Checking swapping
#   possible swapping detected:  F   124_A      F   124_A
#   possible swapping detected:  Y   137_A      Y   137_A
#   possible swapping detected:  E   161_A      E   161_A
#   possible swapping detected:  Y   171_A      Y   171_A
#   possible swapping detected:  D   177_A      D   177_A
#   possible swapping detected:  F   183_A      F   183_A
#   possible swapping detected:  D   192_A      D   192_A
#   possible swapping detected:  D   196_A      D   196_A
#   possible swapping detected:  F   197_A      F   197_A
#   possible swapping detected:  E   201_A      E   201_A
#   possible swapping detected:  E   207_A      E   207_A
#   possible swapping detected:  Y   213_A      Y   213_A
#   possible swapping detected:  Y   219_A      Y   219_A
#   possible swapping detected:  E   224_A      E   224_A
#   possible swapping detected:  E   226_A      E   226_A
#   possible swapping detected:  D   237_A      D   237_A
#   possible swapping detected:  E   239_A      E   239_A
#   possible swapping detected:  E   256_A      E   256_A
#   possible swapping detected:  Y   285_A      Y   285_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    V   116_A      V   116_A    19.171     0    0.074   0.101    20.382    0.000    0.000
LGA    R   117_A      R   117_A    22.706     0    0.036   1.263    30.093    0.000    0.000
LGA    E   118_A      E   118_A    25.095     0    0.140   0.653    31.453    0.000    0.000
LGA    L   119_A      L   119_A    21.303     0    0.029   1.427    22.367    0.000    0.000
LGA    L   120_A      L   120_A    18.974     0    0.015   1.000    20.377    0.000    0.000
LGA    D   121_A      D   121_A    23.372     0    0.044   0.084    26.082    0.000    0.000
LGA    T   122_A      T   122_A    25.305     0    0.027   0.058    26.854    0.000    0.000
LGA    L   123_A      L   123_A    21.200     0    0.032   0.074    22.305    0.000    0.000
LGA    F   124_A      F   124_A    20.234     0    0.040   0.184    21.020    0.000    0.000
LGA    A   125_A      A   125_A    22.611     0    0.678   0.624    24.954    0.000    0.000
LGA    G   126_A      G   126_A    22.842     0    0.032   0.032    25.857    0.000    0.000
LGA    T   127_A      T   127_A    26.284     0    0.083   1.171    28.890    0.000    0.000
LGA    S   128_A      S   128_A    26.275     0    0.697   0.834    29.052    0.000    0.000
LGA    V   129_A      V   129_A    23.227     0    0.684   1.052    24.009    0.000    0.000
LGA    Y   130_A      Y   130_A    24.492     0    0.326   1.420    26.076    0.000    0.000
LGA    E   131_A      E   131_A    22.310     0    0.620   1.164    27.283    0.000    0.000
LGA    A   132_A      A   132_A    21.328     0    0.021   0.021    23.732    0.000    0.000
LGA    M   133_A      M   133_A    17.214     0    0.056   1.219    20.831    0.000    0.000
LGA    L   134_A      L   134_A    12.952     0    0.103   0.115    17.729    0.714    0.357
LGA    Q   135_A      Q   135_A    11.726     0    0.076   0.157    18.658    0.000    0.000
LGA    E   136_A      E   136_A    11.971     0    0.056   1.038    19.316    1.071    0.476
LGA    Y   137_A      Y   137_A     5.584     0    0.048   1.269     8.076   29.881   19.444
LGA    A   138_A      A   138_A     3.141     0    0.015   0.018     5.726   35.000   36.667
LGA    S   139_A      S   139_A     9.232     0    0.031   0.658    11.447    3.810    2.540
LGA    C   140_A      C   140_A     8.724     0    0.104   0.796    10.695    2.619    3.889
LGA    L   141_A      L   141_A     8.505     0    0.041   0.889    12.809    3.214    3.036
LGA    L   142_A      L   142_A    12.431     0    0.065   1.411    16.968    0.000    0.000
LGA    F   143_A      F   143_A    17.258     0    0.051   1.201    20.374    0.000    0.000
LGA    M   144_A      M   144_A    17.579     0    0.037   1.008    21.917    0.000    0.000
LGA    A   145_A      A   145_A    22.173     0    0.100   0.114    26.485    0.000    0.000
LGA    E   146_A      E   146_A    25.704     0    0.090   0.797    29.676    0.000    0.000
LGA    K   147_A      K   147_A    27.466     0    0.081   0.655    30.311    0.000    0.000
LGA    T   148_A      T   148_A    29.057     0    0.693   0.587    31.832    0.000    0.000
LGA    R   149_A      R   149_A    33.290     0    0.046   1.093    39.650    0.000    0.000
LGA    D   150_A      D   150_A    35.695     0    0.149   0.847    36.779    0.000    0.000
LGA    H   151_A      H   151_A    35.788     0    0.648   0.614    43.728    0.000    0.000
LGA    Q   152_A      Q   152_A    31.803     0    0.609   0.874    34.102    0.000    0.000
LGA    S   153_A      S   153_A    27.386     0    0.629   0.595    28.995    0.000    0.000
LGA    D   154_A      D   154_A    25.094     0    0.041   0.915    29.779    0.000    0.000
LGA    L   155_A      L   155_A    20.933     0    0.043   0.135    23.551    0.000    0.000
LGA    C   156_A      C   156_A    20.053     0    0.033   0.691    22.909    0.000    0.000
LGA    K   157_A      K   157_A    20.227     0    0.050   1.073    28.949    0.000    0.000
LGA    K   158_A      K   158_A    15.761     0    0.052   0.582    19.232    0.000    0.000
LGA    Y   159_A      Y   159_A    12.662     0    0.047   1.310    14.279    0.000    0.000
LGA    I   160_A      I   160_A    14.336     0    0.022   0.054    19.545    0.000    0.000
LGA    E   161_A      E   161_A    13.879     0    0.048   1.037    19.524    0.000    0.000
LGA    A   162_A      A   162_A     8.062     0    0.060   0.056    10.237    6.310    7.048
LGA    I   163_A      I   163_A     7.726     0    0.093   1.202     9.192    4.405    4.226
LGA    A   164_A      A   164_A    12.190     0    0.189   0.208    13.960    0.000    0.000
LGA    S   165_A      S   165_A    10.279     0    0.100   0.515    10.913    0.000    2.143
LGA    S   166_A      S   166_A     9.474     0    0.630   0.696    10.023    1.429    1.508
LGA    P   167_A      P   167_A    13.061     0    0.038   0.323    15.846    0.000    0.000
LGA    S   168_A      S   168_A    15.689     0    0.031   0.663    17.209    0.000    0.000
LGA    R   169_A      R   169_A    10.376     0    0.028   1.035    11.732    0.000   17.532
LGA    Y   170_A      Y   170_A     9.424     0    0.168   1.238    12.603    0.714   14.643
LGA    Y   171_A      Y   171_A    16.338     0    0.147   1.086    19.426    0.000    0.000
LGA    R   172_A      R   172_A    18.538     0    0.611   1.485    19.586    0.000    0.000
LGA    L   173_A      L   173_A    18.752     0    0.051   1.098    21.699    0.000    0.000
LGA    R   174_A      R   174_A    19.279     0    0.089   1.373    26.997    0.000    0.000
LGA    D   175_A      D   175_A    20.714     0    0.517   1.196    25.394    0.000    0.000
LGA    C   176_A      C   176_A    17.772     0    0.616   1.074    19.268    0.000    0.000
LGA    D   177_A      D   177_A    16.518     0    0.584   1.556    19.139    0.000    0.000
LGA    A   178_A      A   178_A    16.013     0    0.644   0.594    18.077    0.000    0.000
LGA    Q   179_A      Q   179_A    15.683     0    0.568   0.734    19.624    0.000    0.000
LGA    V   180_A      V   180_A    11.127     0    0.193   1.160    12.467    0.000    0.340
LGA    R   181_A      R   181_A    12.021     0    0.031   1.498    13.391    0.000    0.000
LGA    L   182_A      L   182_A    13.798     0    0.126   0.818    17.449    0.000    0.000
LGA    F   183_A      F   183_A    12.711     0    0.140   0.559    17.327    0.000    0.000
LGA    I   184_A      I   184_A    11.061     0    0.374   1.439    13.187    0.000    0.060
LGA    A   185_A      A   185_A    11.549     0    0.050   0.061    12.555    0.000    0.000
LGA    A   186_A      A   186_A    12.464     0    0.020   0.019    13.536    0.000    0.000
LGA    A   187_A      A   187_A    11.395     0    0.020   0.019    11.862    0.000    0.000
LGA    V   188_A      V   188_A    11.075     0    0.055   1.183    14.402    0.000    0.000
LGA    A   189_A      A   189_A    12.343     0    0.078   0.098    13.417    0.000    0.000
LGA    C   190_A      C   190_A    12.176     0    0.132   0.739    13.092    0.000    0.000
LGA    N   191_A      N   191_A    11.133     0    0.178   0.500    14.380    0.000    0.000
LGA    D   192_A      D   192_A    10.928     0    0.319   0.829    14.609    0.476    0.238
LGA    L   193_A      L   193_A     6.686     0    0.528   1.601     8.791   18.929   15.417
LGA    D   194_A      D   194_A     3.165     0    0.524   0.772     8.548   48.810   32.738
LGA    P   195_A      P   195_A     2.128     0    0.109   0.197     4.260   77.381   64.966
LGA    D   196_A      D   196_A     3.226     0    0.567   1.348     8.565   57.381   34.167
LGA    F   197_A      F   197_A     1.249     0    0.067   0.407     2.879   77.381   71.775
LGA    T   198_A      T   198_A     2.401     0    0.064   0.084     4.044   59.405   54.558
LGA    E   199_A      E   199_A     4.690     0    0.246   1.381    10.141   31.786   18.995
LGA    M   200_A      M   200_A     6.011     0    0.122   0.220    10.329   21.667   13.750
LGA    E   201_A      E   201_A     3.255     0    0.203   0.509     4.758   51.905   51.217
LGA    Y   202_A      Y   202_A     3.137     0    0.304   0.597     3.573   50.119   55.556
LGA    Q   203_A      Q   203_A     5.096     0    0.386   0.817     6.809   27.619   23.862
LGA    A   204_A      A   204_A     3.317     0    0.063   0.071     3.885   53.571   51.524
LGA    M   205_A      M   205_A     1.766     0    0.059   1.153     5.554   77.381   62.262
LGA    A   206_A      A   206_A     1.283     0    0.056   0.063     2.155   83.690   79.905
LGA    E   207_A      E   207_A     1.785     0    0.031   0.115     3.910   72.857   60.370
LGA    I   208_A      I   208_A     2.029     0    0.021   1.047     5.397   70.833   57.857
LGA    G   209_A      G   209_A     1.065     0    0.028   0.028     1.166   83.690   83.690
LGA    I   210_A      I   210_A     0.236     0    0.069   0.074     2.048  100.000   89.762
LGA    T   211_A      T   211_A     1.109     0    0.047   1.070     3.574   83.690   76.054
LGA    L   212_A      L   212_A     1.335     0    0.041   0.090     2.292   81.429   75.119
LGA    Y   213_A      Y   213_A     0.877     0    0.058   0.173     3.594   90.476   71.706
LGA    D   214_A      D   214_A     1.379     0    0.063   0.201     3.333   83.690   70.476
LGA    A   215_A      A   215_A     1.273     0    0.037   0.039     1.680   85.952   83.333
LGA    V   216_A      V   216_A     0.735     0    0.093   1.116     2.758   88.214   81.905
LGA    A   217_A      A   217_A     0.102     0    0.025   0.023     0.266  100.000  100.000
LGA    F   218_A      F   218_A     0.762     0    0.070   0.069     1.472   88.333   85.584
LGA    Y   219_A      Y   219_A     1.721     0    0.097   1.420    10.385   79.286   42.341
LGA    K   220_A      K   220_A     0.603     0    0.103   0.891     4.498   90.476   79.048
LGA    H   221_A      H   221_A     1.077     0    0.045   0.793     2.032   79.405   77.238
LGA    R   222_A      R   222_A     2.280     0    0.036   0.893     4.812   66.786   54.632
LGA    A   223_A      A   223_A     1.825     0    0.077   0.093     1.847   77.143   76.286
LGA    E   224_A      E   224_A     1.174     0    0.064   0.176     2.137   75.119   82.698
LGA    A   225_A      A   225_A     2.366     0    0.191   0.186     3.302   61.190   61.905
LGA    E   226_A      E   226_A     2.379     0    0.400   1.028     3.574   59.167   57.460
LGA    V   227_A      V   227_A     6.755     0    0.160   0.181    10.750   15.714    9.184
LGA    S   228_A      S   228_A     7.431     0    0.028   0.046    10.347   13.452    9.206
LGA    N   229_A      N   229_A     3.299     0    0.211   1.196     4.774   47.143   50.595
LGA    L   230_A      L   230_A     2.984     0    0.399   0.904     4.018   51.905   55.952
LGA    Y   231_A      Y   231_A     3.404     0    0.614   1.125    13.641   43.571   19.048
LGA    A   232_A      A   232_A     8.281     0    0.661   0.617    10.788    7.500    6.000
LGA    Y   233_A      Y   233_A     8.314     0    0.054   1.509    18.442    4.762    1.627
LGA    C   234_A      C   234_A     8.845     0    0.449   0.422    11.336    5.714    3.889
LGA    G   235_A      G   235_A     7.121     0    0.109   0.109     7.731   12.857   12.857
LGA    Q   236_A      Q   236_A     5.257     0    0.704   0.942    10.394   34.405   18.201
LGA    D   237_A      D   237_A     1.707     0    0.617   1.266     6.410   77.143   49.464
LGA    L   238_A      L   238_A     0.758     0    0.025   0.064     2.138   90.476   81.726
LGA    E   239_A      E   239_A     1.096     0    0.029   1.119     7.075   83.690   58.942
LGA    F   240_A      F   240_A     1.713     0    0.059   0.240     3.167   75.000   64.459
LGA    R   241_A      R   241_A     1.490     0    0.100   1.001     3.779   81.429   68.961
LGA    Q   242_A      Q   242_A     0.688     0    0.008   0.520     1.858   90.476   84.550
LGA    E   243_A      E   243_A     1.379     0    0.033   0.129     2.824   79.405   70.476
LGA    V   244_A      V   244_A     2.339     0    0.026   1.187     5.336   68.810   60.612
LGA    Y   245_A      Y   245_A     1.476     0    0.044   0.343     5.563   81.548   56.944
LGA    Q   246_A      Q   246_A     0.958     0    0.017   0.985     4.029   88.333   73.968
LGA    T   247_A      T   247_A     2.285     0    0.031   0.042     3.930   68.810   59.796
LGA    A   248_A      A   248_A     2.021     0    0.029   0.043     2.872   75.119   71.524
LGA    R   249_A      R   249_A     1.251     0    0.040   1.385     4.815   83.690   71.688
LGA    S   250_A      S   250_A     2.310     0    0.044   0.656     3.412   67.024   61.349
LGA    T   251_A      T   251_A     2.370     0    0.066   0.070     3.688   68.810   59.864
LGA    L   252_A      L   252_A     0.598     0    0.024   0.985     4.348   90.476   72.798
LGA    W   253_A      W   253_A     2.169     0    0.024   0.240     4.700   67.024   48.537
LGA    A   254_A      A   254_A     3.002     0    0.062   0.067     3.406   55.476   54.381
LGA    L   255_A      L   255_A     1.508     0    0.035   1.374     4.692   77.143   72.083
LGA    E   256_A      E   256_A     1.964     0    0.037   0.926     3.892   65.357   60.952
LGA    T   257_A      T   257_A     4.226     0    0.031   0.111     5.919   38.929   33.537
LGA    M   258_A      M   258_A     3.858     0    0.042   0.859     8.581   46.667   36.310
LGA    W   259_A      W   259_A     1.613     0    0.049   0.872     4.221   62.976   61.429
LGA    C   260_A      C   260_A     5.127     0    0.626   0.859     7.771   24.524   23.571
LGA    K   261_A      K   261_A     5.970     0    0.069   0.661    10.446   23.810   13.757
LGA    T   262_A      T   262_A     3.483     0    0.098   0.294     4.157   43.452   51.905
LGA    V   263_A      V   263_A     5.222     0    0.035   0.067     7.199   29.048   22.993
LGA    Q   264_A      Q   264_A     3.739     0    0.297   0.721     7.931   46.667   34.497
LGA    G   265_A      G   265_A     2.640     0    0.135   0.135     3.049   55.357   55.357
LGA    R   266_A      R   266_A     2.482     0    0.076   1.110     5.682   62.857   52.857
LGA    S   267_A      S   267_A     2.345     0    0.037   0.662     2.725   60.952   62.222
LGA    A   268_A      A   268_A     2.868     0    0.020   0.028     3.258   53.571   52.857
LGA    I   269_A      I   269_A     3.404     0    0.018   0.089     3.707   48.333   45.833
LGA    N   270_A      N   270_A     2.777     0    0.104   0.102     3.178   55.357   55.357
LGA    L   271_A      L   271_A     2.378     0    0.035   0.428     3.051   59.048   60.060
LGA    L   272_A      L   272_A     3.501     0    0.039   0.071     4.609   45.000   40.357
LGA    K   273_A      K   273_A     4.199     0    0.027   0.704     4.468   40.238   40.582
LGA    N   274_A      N   274_A     3.486     0    0.109   0.488     4.349   48.333   45.893
LGA    L   275_A      L   275_A     2.912     0    0.033   1.333     3.445   57.262   57.381
LGA    P   276_A      P   276_A     3.491     0    0.099   0.358     4.465   51.786   46.395
LGA    L   277_A      L   277_A     3.308     0    0.063   0.162     5.446   53.571   42.679
LGA    I   278_A      I   278_A     2.138     0    0.079   1.222     4.640   64.762   57.143
LGA    H   279_A      H   279_A     2.681     0    0.036   0.886     5.361   60.952   48.286
LGA    M   280_A      M   280_A     1.982     0    0.047   0.149     3.214   63.214   61.190
LGA    S   281_A      S   281_A     3.701     0    0.049   0.056     4.939   42.262   41.587
LGA    M   282_A      M   282_A     4.043     0    0.049   0.707     4.618   37.262   44.583
LGA    R   283_A      R   283_A     5.987     0    0.068   0.792    10.247   19.524   10.173
LGA    R   284_A      R   284_A     5.714     0    0.023   1.386     5.855   22.619   32.424
LGA    Y   285_A      Y   285_A     4.544     0    0.690   0.567     6.924   26.905   40.079
LGA    R   286_A      R   286_A     3.425     0    0.037   0.229     3.869   46.667   51.385
LGA    F   287_A      F   287_A     3.876     0    0.176   1.002    10.539   43.333   22.424
LGA    V   288_A      V   288_A     3.867     0    0.100   0.911     5.936   41.786   37.551
LGA    E   289_A      E   289_A     5.102     0    0.091   0.958     8.526   27.619   18.201
LGA    D   290_A      D   290_A     4.585     0    0.114   0.341     5.706   35.714   33.750
LGA    G   291_A      G   291_A     4.302     0    0.121   0.121     4.339   37.143   37.143
LGA    L   292_A      L   292_A     4.553     0    0.279   0.251    11.014   28.929   17.083

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      177     708    708  100.00    1434   1434  100.00               353
SUMMARY(RMSD_GDC):    12.545         12.478                 13.164           16.496   14.705

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  177  353    4.0     82    2.55    17.989    16.244     3.098

LGA_LOCAL      RMSD:   2.546  Number of atoms:   82  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  12.701  Number of assigned atoms:  177 
Std_ASGN_ATOMS RMSD:  12.545  Standard rmsd on all 177 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.496849 * X  +  -0.803613 * Y  +   0.327637 * Z  + -52.211555
  Y_new =   0.622771 * X  +  -0.067229 * Y  +   0.779511 * Z  + -55.713341
  Z_new =  -0.604398 * X  +   0.591342 * Y  +   0.533870 * Z  +  47.744244 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.244197  0.649011  0.836431   [DEG:  128.5830   37.1856   47.9240 ]
ZXZ:  2.743700  1.007626 -0.796317   [DEG:  157.2024   57.7327  -45.6256 ]
 
# END of job
