
#######################################################
#                                                     #
#                        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:   106      79_A - 187_A       4.94     9.96
  LCS_AVERAGE:     76.13

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    67     118_A - 187_A       1.97    10.84
  LCS_AVERAGE:     40.29

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    36      83_A - 118_A       0.98    18.36
  LCS_AVERAGE:     19.81

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   11   20      0    3    3   22   27   36   42   43   45   49   51   55   56   60   64   71   82   89   93   99 
LCS_GDT     R    60_A     R    60_A      5   12   20      3    6    6   10   15   35   42   43   45   49   51   53   55   59   62   67   76   80   93   96 
LCS_GDT     V    61_A     V    61_A      5   12   20      4    6    6   10   13   14   16   20   30   34   36   38   47   51   56   60   61   66   70   73 
LCS_GDT     K    62_A     K    62_A      5   12   20      4    6    6    8   13   14   16   16   17   20   25   34   37   39   41   44   51   53   55   60 
LCS_GDT     L    63_A     L    63_A      5   12   20      4    6    6   10   13   14   16   16   17   17   17   19   23   26   27   28   34   38   41   43 
LCS_GDT     R    64_A     R    64_A      5   12   20      4    6    6   10   13   14   16   16   17   17   17   19   19   20   27   27   28   32   33   37 
LCS_GDT     K    65_A     K    65_A      5   12   20      3    5    6   10   13   14   16   16   17   17   17   19   19   20   22   24   27   27   33   35 
LCS_GDT     H    66_A     H    66_A      4   12   20      3    4    5   10   13   14   16   16   17   17   18   20   24   26   27   28   29   32   37   40 
LCS_GDT     L    67_A     L    67_A      6   12   20      3    6    6   10   13   14   16   16   17   17   18   20   24   26   31   33   37   39   41   45 
LCS_GDT     V    68_A     V    68_A      6   12   61      3    6    6   10   13   14   16   16   17   20   24   28   30   36   38   41   44   46   50   51 
LCS_GDT     E    69_A     E    69_A      6   12   61      3    6    6    8   13   14   16   16   17   17   25   35   42   43   48   60   64   66   70   79 
LCS_GDT     I    70_A     I    70_A      6   12   61      3    6    6    9   13   14   16   16   28   37   43   50   54   56   60   65   69   76   85   97 
LCS_GDT     N    71_A     N    71_A      6   12   61      3    6    6   37   38   40   42   42   47   49   51   55   59   64   71   82   87   97  101  108 
LCS_GDT     A    72_A     A    72_A      6    8   61      3    6    6   24   35   39   41   42   44   47   51   53   55   63   79   87   93  103  106  109 
LCS_GDT     D    73_A     D    73_A      4    8   61      3    4    5   10   13   14   16   16   18   20   28   38   45   47   48   48   49   53   56   58 
LCS_GDT     E    74_A     E    74_A      4    5   61      3    4    4    5    7   10   15   16   18   20   28   30   33   35   43   48   49   50   53   56 
LCS_GDT     I    75_A     I    75_A      4    5   61      3    4    5   10   13   16   18   21   37   43   45   48   55   56   62   64   71  100  101  101 
LCS_GDT     T    76_A     T    76_A      3    5   61      1    4    4    5   13   16   18   21   34   42   46   48   51   65   84   87   99  103  108  109 
LCS_GDT     I    77_A     I    77_A      3   42   61      1    4    4    4    4   10   19   27   37   43   48   52   62   68   81   95  103  105  108  109 
LCS_GDT     T    78_A     T    78_A      3   42   61      5   27   35   37   38   40   42   43   47   49   51   55   66   73   84   91   98  104  108  109 
LCS_GDT     L    79_A     L    79_A      3   42  106      0   13   21   36   38   40   42   48   61   65   74   79   83   89   94   98  103  105  108  109 
LCS_GDT     S    80_A     S    80_A      5   42  106      3    4    5   10   29   35   55   64   70   73   78   84   87   90   95   98  103  105  108  109 
LCS_GDT     R    81_A     R    81_A      9   42  106      3   15   21   29   46   54   62   67   71   76   80   85   87   90   95   98  103  105  108  109 
LCS_GDT     Y    82_A     Y    82_A     32   42  106      3    6   10   23   32   38   42   43   61   65   74   79   84   89   94   98  103  105  108  109 
LCS_GDT     T    83_A     T    83_A     36   42  106      3    9   31   36   38   40   42   43   47   54   63   71   81   86   90   98  103  105  108  109 
LCS_GDT     S    84_A     S    84_A     36   42  106     19   30   35   37   38   40   42   43   47   49   51   64   73   86   90   92   97  105  108  109 
LCS_GDT     P    85_A     P    85_A     36   42  106     19   32   35   37   38   40   42   43   55   67   69   76   83   87   90   97  103  105  108  109 
LCS_GDT     E    86_A     E    86_A     36   42  106     19   32   35   37   38   40   42   43   47   49   60   66   71   81   89   91   94   98  101  107 
LCS_GDT     A    87_A     A    87_A     36   42  106     19   32   35   37   38   40   42   43   47   49   51   58   70   79   89   92   97  100  108  109 
LCS_GDT     L    88_A     L    88_A     36   42  106     19   32   35   37   38   45   54   57   69   73   78   84   87   90   95   98  103  105  108  109 
LCS_GDT     E    89_A     E    89_A     36   42  106     19   32   35   37   38   40   44   57   61   71   74   78   86   90   95   98  103  105  108  109 
LCS_GDT     R    90_A     R    90_A     36   42  106     19   32   35   37   38   40   42   43   55   60   70   76   83   87   90   98  103  105  108  109 
LCS_GDT     S    91_A     S    91_A     36   42  106     19   32   35   37   38   40   54   64   70   73   78   84   87   90   95   98  103  105  108  109 
LCS_GDT     I    92_A     I    92_A     36   42  106     19   32   35   38   48   56   63   68   72   77   80   85   87   90   95   98  103  105  108  109 
LCS_GDT     T    93_A     T    93_A     36   42  106     14   32   35   37   38   54   59   66   70   75   78   84   87   90   95   98  103  105  108  109 
LCS_GDT     A    94_A     A    94_A     36   42  106     19   32   35   37   38   40   54   64   70   73   78   84   87   90   95   98  103  105  108  109 
LCS_GDT     L    95_A     L    95_A     36   42  106     19   32   35   37   38   40   59   66   70   73   78   84   87   90   95   98  103  105  108  109 
LCS_GDT     A    96_A     A    96_A     36   42  106     14   32   35   37   46   56   63   68   73   77   80   85   87   90   95   98  103  105  108  109 
LCS_GDT     A    97_A     A    97_A     36   42  106     14   31   35   37   46   51   59   67   70   75   78   84   87   90   95   98  103  105  108  109 
LCS_GDT     M    98_A     M    98_A     36   42  106     10   32   35   37   38   40   42   43   56   69   76   82   87   90   94   98  103  105  108  109 
LCS_GDT     T    99_A     T    99_A     36   42  106     16   32   35   37   38   40   42   43   49   58   76   78   87   90   94   98  103  105  108  109 
LCS_GDT     G   100_A     G   100_A     36   42  106     10   32   35   37   38   40   42   43   52   77   80   85   87   90   95   98  103  105  108  109 
LCS_GDT     H   101_A     H   101_A     36   42  106     19   32   35   37   38   40   42   43   67   77   80   85   87   90   95   98  103  105  108  109 
LCS_GDT     A   102_A     A   102_A     36   42  106     19   32   35   37   38   50   63   68   73   77   80   85   87   90   95   98  103  105  108  109 
LCS_GDT     P   103_A     P   103_A     36   42  106     19   32   35   37   53   59   64   68   73   77   80   85   87   90   95   98  103  105  108  109 
LCS_GDT     S   104_A     S   104_A     36   42  106     19   32   35   37   38   40   59   66   71   74   80   85   87   90   95   97  103  105  108  109 
LCS_GDT     S   105_A     S   105_A     36   42  106     19   32   35   37   38   40   42   44   71   74   80   85   87   90   94   97  103  105  108  109 
LCS_GDT     I   106_A     I   106_A     36   42  106     19   32   35   37   38   40   62   68   73   77   80   85   87   90   95   98  103  105  108  109 
LCS_GDT     K   107_A     K   107_A     36   42  106     19   32   35   37   46   59   64   68   73   77   80   85   87   90   95   98  103  105  108  109 
LCS_GDT     E   108_A     E   108_A     36   42  106     18   32   35   37   38   40   42   52   71   74   80   85   87   90   95   97  103  105  108  109 
LCS_GDT     E   109_A     E   109_A     36   42  106     19   32   35   37   38   40   42   43   47   69   80   85   87   90   95   98  103  105  108  109 
LCS_GDT     C   110_A     C   110_A     36   42  106     18   32   35   37   38   47   62   68   73   77   80   85   87   90   95   98  103  105  108  109 
LCS_GDT     V   111_A     V   111_A     36   42  106     16   32   35   37   38   53   63   68   73   77   80   85   87   90   95   98  103  105  108  109 
LCS_GDT     E   112_A     E   112_A     36   42  106     12   32   35   37   38   40   42   43   47   72   80   85   87   90   95   98  103  105  108  109 
LCS_GDT     L   113_A     L   113_A     36   42  106     16   32   35   37   38   40   42   43   47   70   80   85   87   90   95   98  103  105  108  109 
LCS_GDT     I   114_A     I   114_A     36   42  106     11   32   35   37   38   59   64   68   73   77   80   85   87   90   95   98  103  105  108  109 
LCS_GDT     D   115_A     D   115_A     36   42  106     11   32   35   37   38   40   45   67   73   77   80   85   87   90   95   98  103  105  108  109 
LCS_GDT     K   116_A     K   116_A     36   42  106      7   32   35   37   38   40   42   43   47   65   80   85   87   90   95   98  103  105  108  109 
LCS_GDT     L   117_A     L   117_A     36   42  106      7   32   35   37   38   40   42   43   71   77   80   85   87   90   95   98  103  105  108  109 
LCS_GDT     D   118_A     D   118_A     36   67  106      0    3   41   53   57   61   64   68   73   77   80   85   87   90   95   98  103  105  108  109 
LCS_GDT     W   119_A     W   119_A      3   67  106      0    3    4   22   38   60   62   68   73   77   80   85   87   90   95   98  103  105  108  109 
LCS_GDT     L   120_A     L   120_A     34   67  106     14   34   45   53   57   61   64   68   73   77   80   85   87   90   95   98  103  105  108  109 
LCS_GDT     R   121_A     R   121_A     34   67  106     11   33   45   53   57   61   64   68   73   77   80   85   87   90   95   98  103  105  108  109 
LCS_GDT     V   122_A     V   122_A     34   67  106     11   33   45   53   57   61   64   68   73   77   80   85   87   90   95   98  103  105  108  109 
LCS_GDT     E   123_A     E   123_A     34   67  106     19   34   45   53   57   61   64   68   73   77   80   85   87   90   95   98  103  105  108  109 
LCS_GDT     N   124_A     N   124_A     34   67  106      4   34   45   53   57   61   64   68   73   77   80   85   87   90   95   98  103  105  108  109 
LCS_GDT     D   125_A     D   125_A     34   67  106     16   34   45   53   57   61   64   68   73   77   80   85   87   90   95   98  103  105  108  109 
LCS_GDT     V   126_A     V   126_A     34   67  106     10   34   45   53   57   61   64   68   73   77   80   85   87   90   95   98  103  105  108  109 
LCS_GDT     I   127_A     I   127_A     34   67  106     19   34   45   53   57   61   64   68   73   77   80   85   87   90   95   98  103  105  108  109 
LCS_GDT     Q   128_A     Q   128_A     34   67  106     11   34   45   53   57   61   64   68   73   77   80   85   87   90   95   98  103  105  108  109 
LCS_GDT     Y   129_A     Y   129_A     34   67  106     19   34   45   53   57   61   64   68   73   77   80   85   87   90   95   98  103  105  108  109 
LCS_GDT     P   130_A     P   130_A     34   67  106     19   34   45   53   57   61   64   68   73   77   80   85   87   90   95   98  103  105  108  109 
LCS_GDT     T   131_A     T   131_A     34   67  106     17   34   45   53   57   61   64   68   73   77   80   85   87   90   95   98  103  105  108  109 
LCS_GDT     L   132_A     L   132_A     34   67  106     19   34   45   53   57   61   64   68   73   77   80   85   87   90   95   98  103  105  108  109 
LCS_GDT     S   133_A     S   133_A     34   67  106     19   34   45   53   57   61   64   68   73   77   80   85   87   90   95   98  103  105  108  109 
LCS_GDT     K   134_A     K   134_A     34   67  106     19   34   45   53   57   61   64   68   73   77   80   85   87   90   95   98  103  105  108  109 
LCS_GDT     L   135_A     L   135_A     34   67  106     19   34   45   53   57   61   64   68   73   77   80   85   87   90   95   98  103  105  108  109 
LCS_GDT     L   136_A     L   136_A     34   67  106     19   34   45   53   57   61   64   68   73   77   80   85   87   90   95   98  103  105  108  109 
LCS_GDT     E   137_A     E   137_A     34   67  106     19   34   45   53   57   61   64   68   73   77   80   85   87   90   95   98  103  105  108  109 
LCS_GDT     L   138_A     L   138_A     34   67  106     19   34   45   53   57   61   64   68   73   77   80   85   87   90   95   98  103  105  108  109 
LCS_GDT     Y   139_A     Y   139_A     34   67  106     19   34   45   53   57   61   64   68   73   77   80   85   87   90   95   98  103  105  108  109 
LCS_GDT     N   140_A     N   140_A     34   67  106     19   34   45   53   57   61   64   68   73   77   80   85   87   90   95   98  103  105  108  109 
LCS_GDT     S   141_A     S   141_A     34   67  106     19   34   45   53   57   61   64   68   73   77   80   85   87   90   95   98  103  105  108  109 
LCS_GDT     Q   142_A     Q   142_A     34   67  106     10   34   45   53   57   61   64   68   73   77   80   85   87   90   95   98  103  105  108  109 
LCS_GDT     N   143_A     N   143_A     34   67  106      9   34   45   53   57   61   64   68   73   77   80   85   87   90   95   98  103  105  108  109 
LCS_GDT     H   147_A     H   147_A     34   67  106     14   33   45   53   57   61   64   68   73   77   80   85   87   90   95   98  103  105  108  109 
LCS_GDT     L   148_A     L   148_A     34   67  106     19   34   45   53   57   61   64   68   73   77   80   85   87   90   95   98  103  105  108  109 
LCS_GDT     S   149_A     S   149_A     34   67  106      7   33   45   53   57   61   64   68   73   77   80   85   87   90   95   98  103  105  108  109 
LCS_GDT     I   150_A     I   150_A     34   67  106     19   34   45   53   57   61   64   68   73   77   80   85   87   90   95   98  103  105  108  109 
LCS_GDT     E   151_A     E   151_A     34   67  106     16   33   45   53   57   61   64   68   73   77   80   85   87   90   95   98  103  105  108  109 
LCS_GDT     K   152_A     K   152_A     34   67  106     11   33   45   53   57   61   64   68   73   77   80   85   87   90   95   98  103  105  108  109 
LCS_GDT     L   153_A     L   153_A     34   67  106      7   33   45   53   57   61   64   68   73   77   80   85   87   90   95   98  103  105  108  109 
LCS_GDT     I   154_A     I   154_A     34   67  106      7   22   45   53   57   61   64   68   73   77   80   85   87   90   95   98  103  105  108  109 
LCS_GDT     A   155_A     A   155_A     34   67  106      7   15   39   51   57   61   64   68   73   77   80   85   87   90   95   98  103  105  108  109 
LCS_GDT     G   156_A     G   156_A     34   67  106      4   13   25   47   56   61   64   68   73   77   80   85   87   90   95   98  103  105  108  109 
LCS_GDT     L   157_A     L   157_A     13   67  106      4    6    9   12   14   24   35   57   66   73   75   79   86   90   95   98  103  105  108  109 
LCS_GDT     A   158_A     A   158_A      6   67  106      4    6    6    6    6   13   50   67   73   77   80   85   87   90   95   98  103  105  108  109 
LCS_GDT     V   159_A     V   159_A      6   67  106      4    6    6   12   36   58   64   68   73   77   80   85   87   90   95   98  103  105  108  109 
LCS_GDT     R   160_A     R   160_A     15   67  106     12   15   20   28   36   55   62   66   71   76   80   84   87   90   95   98  103  105  108  109 
LCS_GDT     R   161_A     R   161_A     15   67  106     12   15   22   38   56   61   63   68   73   77   80   85   87   90   95   98  103  105  108  109 
LCS_GDT     K   162_A     K   162_A     15   67  106     12   15   20   28   50   61   63   68   73   77   80   85   87   90   95   98  103  105  108  109 
LCS_GDT     V   163_A     V   163_A     15   67  106     12   15   21   44   57   61   64   68   73   77   80   85   87   90   95   98  103  105  108  109 
LCS_GDT     C   164_A     C   164_A     15   67  106     12   17   43   53   57   61   64   68   73   77   80   85   87   90   95   98  103  105  108  109 
LCS_GDT     K   165_A     K   165_A     15   67  106     12   27   43   53   57   61   64   68   73   77   80   85   87   90   95   98  103  105  108  109 
LCS_GDT     L   166_A     L   166_A     15   67  106     12   33   45   53   57   61   64   68   73   77   80   85   87   90   95   98  103  105  108  109 
LCS_GDT     V   167_A     V   167_A     20   67  106     19   34   45   53   57   61   64   68   73   77   80   85   87   90   95   98  103  105  108  109 
LCS_GDT     Q   168_A     Q   168_A     20   67  106     12   33   45   53   57   61   64   68   73   77   80   85   87   90   95   98  103  105  108  109 
LCS_GDT     D   169_A     D   169_A     20   67  106     12   19   39   51   57   61   64   68   73   77   80   85   87   90   95   98  103  105  108  109 
LCS_GDT     G   170_A     G   170_A     20   67  106     12   15   43   53   57   61   64   68   73   77   80   85   87   90   95   98  103  105  108  109 
LCS_GDT     H   171_A     H   171_A     20   67  106     12   33   45   53   57   61   64   68   73   77   80   85   87   90   95   98  103  105  108  109 
LCS_GDT     I   172_A     I   172_A     20   67  106      5   17   41   53   57   61   64   68   73   77   80   85   87   90   95   98  103  105  108  109 
LCS_GDT     D   173_A     D   173_A     20   67  106     10   17   19   52   57   61   64   68   73   77   80   85   87   90   95   98  103  105  108  109 
LCS_GDT     E   174_A     E   174_A     20   67  106     10   17   25   52   57   61   64   68   73   77   80   85   87   90   95   98  103  105  108  109 
LCS_GDT     T   175_A     T   175_A     20   67  106     10   17   39   53   57   61   64   68   73   77   80   85   87   90   95   98  103  105  108  109 
LCS_GDT     V   176_A     V   176_A     20   67  106     10   34   45   53   57   61   64   68   73   77   80   85   87   90   95   98  103  105  108  109 
LCS_GDT     Y   177_A     Y   177_A     20   67  106     10   33   45   53   57   61   64   68   73   77   80   85   87   90   95   98  103  105  108  109 
LCS_GDT     R   178_A     R   178_A     20   67  106     10   34   45   53   57   61   64   68   73   77   80   85   87   90   95   98  103  105  108  109 
LCS_GDT     A   179_A     A   179_A     20   67  106     17   34   45   53   57   61   64   68   73   77   80   85   87   90   95   98  103  105  108  109 
LCS_GDT     L   180_A     L   180_A     20   67  106     19   34   45   53   57   61   64   68   73   77   80   85   87   90   95   98  103  105  108  109 
LCS_GDT     D   181_A     D   181_A     20   67  106     19   34   45   53   57   61   64   68   73   77   80   85   87   90   95   98  103  105  108  109 
LCS_GDT     E   182_A     E   182_A     20   67  106     10   34   45   53   57   61   64   68   73   77   80   85   87   90   95   98  103  105  108  109 
LCS_GDT     M   183_A     M   183_A     20   67  106     10   34   45   53   57   61   64   68   73   77   80   85   87   90   95   98  103  105  108  109 
LCS_GDT     A   184_A     A   184_A     20   67  106     10   34   45   53   57   61   64   68   73   77   80   85   87   90   95   98  103  105  108  109 
LCS_GDT     A   185_A     A   185_A     20   67  106     10   34   45   53   57   61   64   68   73   77   80   85   87   90   95   98  103  105  108  109 
LCS_GDT     G   186_A     G   186_A     20   67  106     10   17   42   53   57   61   64   68   73   76   80   85   87   90   95   98  103  105  108  109 
LCS_GDT     A   187_A     A   187_A     17   67  106      6   28   43   53   57   61   64   68   73   77   80   85   87   90   95   98  103  105  108  109 
LCS_AVERAGE  LCS_A:  45.41  (  19.81   40.29   76.13 )

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     19     34     45     53     57     61     64     68     73     77     80     85     87     90     95     98    103    105    108    109 
GDT PERCENT_AT  15.08  26.98  35.71  42.06  45.24  48.41  50.79  53.97  57.94  61.11  63.49  67.46  69.05  71.43  75.40  77.78  81.75  83.33  85.71  86.51
GDT RMS_LOCAL    0.34   0.60   0.85   1.09   1.25   1.44   1.65   1.94   2.33   2.79   2.85   3.36   3.43   3.66   4.04   4.28   4.66   4.81   5.07   5.20
GDT RMS_ALL_AT  10.70  10.92  10.68  10.84  10.78  10.76  10.87  10.91  10.65  10.37  10.36  10.55  10.49  10.11  10.13   9.89   9.95   9.93   9.88   9.83

# Checking swapping
#   possible swapping detected:  E    69_A      E    69_A
#   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    22.542     6    0.568   0.572    22.845    0.000    0.000
LGA    R    60_A      R    60_A    22.307     6    0.598   0.544    22.714    0.000    0.000
LGA    V    61_A      V    61_A    24.351     0    0.063   0.061    27.766    0.000    0.000
LGA    K    62_A      K    62_A    28.681     0    0.050   0.966    29.390    0.000    0.000
LGA    L    63_A      L    63_A    31.810     0    0.050   0.356    34.453    0.000    0.000
LGA    R    64_A      R    64_A    35.511     6    0.494   0.559    37.281    0.000    0.000
LGA    K    65_A      K    65_A    37.707     0    0.033   0.497    46.256    0.000    0.000
LGA    H    66_A      H    66_A    31.848     0    0.703   0.582    37.357    0.000    0.000
LGA    L    67_A      L    67_A    28.024     0    0.296   0.416    29.792    0.000    0.000
LGA    V    68_A      V    68_A    25.416     0    0.118   1.221    27.376    0.000    0.000
LGA    E    69_A      E    69_A    22.040     0    0.102   0.205    23.848    0.000    0.000
LGA    I    70_A      I    70_A    19.938     0    0.063   0.273    21.209    0.000    0.000
LGA    N    71_A      N    71_A    17.824     0    0.070   0.854    19.414    0.000    0.000
LGA    A    72_A      A    72_A    16.536     0    0.574   0.540    16.761    0.000    0.000
LGA    D    73_A      D    73_A    18.568     0    0.355   1.103    19.392    0.000    0.000
LGA    E    74_A      E    74_A    20.649     0    0.140   0.750    25.935    0.000    0.000
LGA    I    75_A      I    75_A    17.755     0    0.540   0.854    18.714    0.000    0.000
LGA    T    76_A      T    76_A    14.169     0    0.612   0.534    15.057    0.000    0.000
LGA    I    77_A      I    77_A    12.222     0    0.635   0.731    14.135    0.000    0.000
LGA    T    78_A      T    78_A    13.540     0    0.601   0.542    16.043    0.000    0.000
LGA    L    79_A      L    79_A    10.710     0    0.582   0.657    12.126    0.000    0.060
LGA    S    80_A      S    80_A     7.346     0    0.636   0.573     7.847   13.929   15.873
LGA    R    81_A      R    81_A     5.348     0    0.083   0.858     9.243   21.548   13.810
LGA    Y    82_A      Y    82_A     8.360     0    0.123   0.160    10.041    4.048    3.730
LGA    T    83_A      T    83_A    10.373     0    0.034   1.025    10.463    1.190    0.748
LGA    S    84_A      S    84_A    11.717     0    0.040   0.072    14.693    0.000    0.000
LGA    P    85_A      P    85_A    10.339     0    0.060   0.097    11.597    0.000    0.000
LGA    E    86_A      E    86_A    13.524     0    0.161   0.219    16.485    0.000    0.000
LGA    A    87_A      A    87_A    13.046     0    0.028   0.055    13.726    0.000    0.000
LGA    L    88_A      L    88_A     8.390     0    0.092   0.160     9.943    5.000   12.381
LGA    E    89_A      E    89_A     8.756     0    0.053   0.841    10.454    2.262    1.481
LGA    R    90_A      R    90_A    11.984     0    0.019   0.867    17.740    0.000    0.000
LGA    S    91_A      S    91_A    10.530     0    0.058   0.117    12.094    0.476    0.317
LGA    I    92_A      I    92_A     6.488     0    0.058   0.127     7.787   12.738   22.857
LGA    T    93_A      T    93_A     8.617     0    0.032   0.076    10.433    2.143    1.497
LGA    A    94_A      A    94_A    11.864     0    0.025   0.025    13.115    0.000    0.000
LGA    L    95_A      L    95_A    10.443     0    0.028   0.201    11.933    0.119    0.179
LGA    A    96_A      A    96_A     7.438     0    0.031   0.057     8.517    5.595    7.905
LGA    A    97_A      A    97_A    10.617     0    0.096   0.126    12.271    0.357    0.286
LGA    M    98_A      M    98_A    14.338     0    0.059   0.790    19.226    0.000    0.000
LGA    T    99_A      T    99_A    13.035     0    0.028   0.047    13.360    0.000    0.000
LGA    G   100_A      G   100_A     9.628     0    0.054   0.054    10.598    2.024    2.024
LGA    H   101_A      H   101_A     8.163     5    0.023   0.048     8.771   11.548    4.905
LGA    A   102_A      A   102_A     5.038     0    0.054   0.100     6.232   26.667   25.619
LGA    P   103_A      P   103_A     3.021     0    0.061   0.077     3.510   48.333   49.048
LGA    S   104_A      S   104_A     5.850     0    0.013   0.175     7.305   20.833   17.222
LGA    S   105_A      S   105_A     7.760     0    0.071   0.509    11.512    9.405    6.746
LGA    I   106_A      I   106_A     5.736     0    0.036   0.088     7.012   25.119   20.298
LGA    K   107_A      K   107_A     3.503     0    0.031   0.282     8.000   40.238   32.011
LGA    E   108_A      E   108_A     7.259     3    0.050   0.693     8.761   12.143    6.243
LGA    E   109_A      E   109_A     8.192     0    0.046   0.613    13.169    7.976    3.862
LGA    C   110_A      C   110_A     4.956     0    0.026   0.036     5.806   31.786   30.952
LGA    V   111_A      V   111_A     4.589     0    0.015   0.049     6.730   27.857   25.306
LGA    E   112_A      E   112_A     8.158     0    0.055   0.649    14.147    7.500    3.386
LGA    L   113_A      L   113_A     7.702     0    0.037   0.213    11.905   11.071    6.250
LGA    I   114_A      I   114_A     3.810     0    0.124   0.112     4.802   40.357   40.417
LGA    D   115_A      D   115_A     5.725     0    0.149   0.899     7.502   19.048   15.476
LGA    K   116_A      K   116_A     8.080     2    0.268   0.250    11.474    8.810    4.074
LGA    L   117_A      L   117_A     6.096     0    0.648   0.716     9.430   19.405   15.476
LGA    D   118_A      D   118_A     1.974     0    0.656   1.151     4.075   57.738   57.857
LGA    W   119_A      W   119_A     4.177     0    0.696   0.557    15.218   50.357   15.884
LGA    L   120_A      L   120_A     0.368     0    0.674   0.532     3.874   90.714   75.119
LGA    R   121_A      R   121_A     1.352     0    0.079   0.968     3.599   79.286   71.818
LGA    V   122_A      V   122_A     1.433     0    0.181   0.238     2.185   83.690   76.735
LGA    E   123_A      E   123_A     0.551     4    0.024   0.054     1.297   88.214   50.317
LGA    N   124_A      N   124_A     1.518     0    0.069   0.099     3.545   79.286   65.655
LGA    D   125_A      D   125_A     0.734     0    0.050   0.712     1.719   90.476   86.012
LGA    V   126_A      V   126_A     0.625     0    0.073   0.279     1.219   88.214   87.891
LGA    I   127_A      I   127_A     0.806     0    0.038   0.110     1.157   85.952   84.821
LGA    Q   128_A      Q   128_A     1.245     0    0.059   1.062     2.823   85.952   77.937
LGA    Y   129_A      Y   129_A     0.558     0    0.019   0.243     2.030   95.238   84.722
LGA    P   130_A      P   130_A     0.643     0    0.040   0.055     0.842   90.476   90.476
LGA    T   131_A      T   131_A     1.063     0    0.044   0.123     1.758   88.214   84.082
LGA    L   132_A      L   132_A     0.729     0    0.060   0.272     1.480   95.238   90.595
LGA    S   133_A      S   133_A     0.430     0    0.094   0.559     1.833  100.000   93.889
LGA    K   134_A      K   134_A     0.346     4    0.060   0.059     0.442  100.000   55.556
LGA    L   135_A      L   135_A     0.254     0    0.029   0.144     0.326  100.000  100.000
LGA    L   136_A      L   136_A     0.208     0    0.063   1.253     3.475  100.000   86.964
LGA    E   137_A      E   137_A     0.080     4    0.015   0.034     0.161  100.000   55.556
LGA    L   138_A      L   138_A     0.237     3    0.048   0.048     0.560   97.619   61.310
LGA    Y   139_A      Y   139_A     0.528     0    0.020   0.114     1.261   92.857   88.254
LGA    N   140_A      N   140_A     0.470     0    0.058   0.182     0.801   97.619   96.429
LGA    S   141_A      S   141_A     0.798     0    0.153   0.147     1.033   88.214   87.460
LGA    Q   142_A      Q   142_A     1.062     4    0.186   0.182     1.094   85.952   47.249
LGA    N   143_A      N   143_A     1.403     3    0.032   0.042     1.424   81.429   50.893
LGA    H   147_A      H   147_A     1.088     0    0.142   1.174     3.019   79.286   75.952
LGA    L   148_A      L   148_A     0.756     0    0.036   0.073     1.173   90.476   89.345
LGA    S   149_A      S   149_A     1.358     0    0.044   0.109     2.268   83.690   78.730
LGA    I   150_A      I   150_A     0.944     0    0.032   1.293     3.341   88.214   77.738
LGA    E   151_A      E   151_A     1.390     0    0.029   0.359     2.339   79.286   74.815
LGA    K   152_A      K   152_A     1.623     0    0.076   0.685     2.952   75.000   70.370
LGA    L   153_A      L   153_A     1.305     0    0.066   0.132     1.884   77.143   78.214
LGA    I   154_A      I   154_A     1.784     0    0.063   0.236     2.866   66.905   74.345
LGA    A   155_A      A   155_A     2.781     0    0.058   0.052     3.718   53.810   54.476
LGA    G   156_A      G   156_A     3.208     0    0.505   0.505     3.641   51.905   51.905
LGA    L   157_A      L   157_A     6.003     0    0.052   0.155    12.801   27.976   14.345
LGA    A   158_A      A   158_A     5.004     0    0.211   0.228     6.782   34.524   30.286
LGA    V   159_A      V   159_A     4.095     0    0.286   1.215     7.781   40.476   33.197
LGA    R   160_A      R   160_A     4.804     0    0.573   1.287    12.995   38.810   17.229
LGA    R   161_A      R   161_A     3.757     0    0.080   1.116     9.379   46.905   29.870
LGA    K   162_A      K   162_A     4.118     0    0.104   0.667     8.834   41.905   26.825
LGA    V   163_A      V   163_A     3.091     0    0.026   0.151     4.470   57.738   50.680
LGA    C   164_A      C   164_A     1.930     0    0.036   0.070     2.875   72.976   68.968
LGA    K   165_A      K   165_A     1.977     0    0.027   0.445     4.931   72.857   57.407
LGA    L   166_A      L   166_A     1.679     0    0.062   0.100     2.677   77.143   69.107
LGA    V   167_A      V   167_A     0.547     0    0.062   0.066     1.324   88.214   86.599
LGA    Q   168_A      Q   168_A     1.157     0    0.010   1.093     5.560   77.381   64.497
LGA    D   169_A      D   169_A     2.656     0    0.028   0.186     3.641   59.286   54.702
LGA    G   170_A      G   170_A     2.004     0    0.117   0.117     2.004   75.119   75.119
LGA    H   171_A      H   171_A     1.330     0    0.114   0.972     4.892   73.214   55.095
LGA    I   172_A      I   172_A     1.882     0    0.191   0.707     3.629   69.048   62.381
LGA    D   173_A      D   173_A     2.640     0    0.029   0.446     3.518   64.881   59.345
LGA    E   174_A      E   174_A     2.486     4    0.016   0.026     2.808   64.881   35.185
LGA    T   175_A      T   175_A     1.916     0    0.029   0.332     3.448   75.119   68.571
LGA    V   176_A      V   176_A     0.853     0    0.050   0.169     1.380   88.214   85.306
LGA    Y   177_A      Y   177_A     1.214     7    0.015   0.018     1.654   85.952   34.722
LGA    R   178_A      R   178_A     0.566     0    0.030   1.326     8.146   92.857   64.978
LGA    A   179_A      A   179_A     0.572     0    0.037   0.040     0.914   92.857   92.381
LGA    L   180_A      L   180_A     0.908     0    0.038   0.122     1.061   88.214   89.345
LGA    D   181_A      D   181_A     1.000     0    0.048   0.401     1.774   85.952   83.750
LGA    E   182_A      E   182_A     1.260     0    0.030   0.181     2.063   79.286   75.767
LGA    M   183_A      M   183_A     1.284     0    0.056   0.836     3.987   81.429   74.524
LGA    A   184_A      A   184_A     1.212     0    0.090   0.084     1.212   81.429   81.429
LGA    A   185_A      A   185_A     1.229     0    0.084   0.112     1.403   81.429   81.429
LGA    G   186_A      G   186_A     1.897     0    0.698   0.698     4.268   61.905   61.905
LGA    A   187_A      A   187_A     1.399     0    0.658   0.617     3.541   69.405   64.190

# 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):     9.279          9.228                  9.877           44.646   38.801

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  187  126    4.0     68    1.94    50.198    49.053     3.341

LGA_LOCAL      RMSD:   1.935  Number of atoms:   68  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  10.906  Number of assigned atoms:  126 
Std_ASGN_ATOMS RMSD:   9.279  Standard rmsd on all 126 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.067033 * X  +   0.099870 * Y  +   0.992740 * Z  + -18.115051
  Y_new =   0.979206 * X  +  -0.197528 * Y  +  -0.046248 * Z  +  17.348917
  Z_new =   0.191475 * X  +   0.975197 * Y  +  -0.111034 * Z  +  15.347359 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.502446 -0.192665  1.684167   [DEG:   86.0838  -11.0389   96.4956 ]
ZXZ:  1.524244  1.682060  0.193879   [DEG:   87.3327   96.3749   11.1084 ]
 
# END of job
