
#######################################################
#                                                     #
#                        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  184 ( 1441),  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:   104      81_A - 187_A       4.95    13.97
  LCS_AVERAGE:     74.17

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    72     113_A - 187_A       1.88    14.16
  LCS_AVERAGE:     44.39

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    66     118_A - 186_A       0.76    13.91
  LCS_AVERAGE:     37.66

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   10      0    3    3    4    7    8    8    8    9    9   11   11   12   13   13   14   15   17   18   22 
LCS_GDT     R    60_A     R    60_A      5    6   10      1    4    5    5    5    6    8    8    9    9   11   11   12   12   13   14   15   17   18   21 
LCS_GDT     V    61_A     V    61_A      5    6   10      3    4    5    5    7    8    8    8    9    9   11   11   12   13   13   14   15   17   20   22 
LCS_GDT     K    62_A     K    62_A      5    6   10      3    4    5    5    7    8    8    8    9    9   11   11   12   13   13   14   15   17   20   22 
LCS_GDT     L    63_A     L    63_A      5    6   21      3    4    5    5    7    8    8    8    9    9   11   11   12   18   21   25   26   28   31   32 
LCS_GDT     R    64_A     R    64_A      5    6   21      3    4    5    5    7    8    8   10   13   18   21   24   25   28   30   32   35   37   44   47 
LCS_GDT     K    65_A     K    65_A      4    9   21      3    3    5    6    7   11   12   13   15   17   19   22   26   28   31   32   35   37   41   47 
LCS_GDT     H    66_A     H    66_A      8    9   46      3    6    8    8    8   11   12   13   15   21   24   26   29   35   39   44   46   46   48   50 
LCS_GDT     L    67_A     L    67_A      8    9   51      3    6    8    8    8   11   12   13   19   23   24   26   31   36   43   45   46   47   48   50 
LCS_GDT     V    68_A     V    68_A      8    9   52      4    6    8    8    8   11   12   13   15   22   24   26   29   35   43   45   46   47   48   50 
LCS_GDT     E    69_A     E    69_A      8    9   58      4    6    8    8    8   11   12   17   19   23   24   29   35   41   43   45   46   47   50   53 
LCS_GDT     I    70_A     I    70_A      8    9   59      4    6    8    8    8   11   12   13   19   23   24   29   34   41   43   47   50   52   60   74 
LCS_GDT     N    71_A     N    71_A      8    9   59      4    6    8    8    8   11   12   17   19   26   29   34   39   48   49   51   54   56   58   59 
LCS_GDT     A    72_A     A    72_A      8    9   59      3    5    8    8    8   11   12   14   23   28   33   46   47   50   51   53   57   62   69   77 
LCS_GDT     D    73_A     D    73_A      8   40   59      3    5    8   13   17   22   26   34   41   46   48   49   50   52   55   57   59   66   69   74 
LCS_GDT     E    74_A     E    74_A      7   44   59      3    4    6   20   34   40   42   43   45   46   48   49   51   53   65   65   73   77   81   85 
LCS_GDT     I    75_A     I    75_A     27   44   59      5    8   21   33   37   40   42   43   45   47   54   61   69   69   76   77   83   90   95   99 
LCS_GDT     T    76_A     T    76_A     28   44   59      5   21   29   33   36   40   42   43   45   46   48   50   58   63   67   75   76   79   85   90 
LCS_GDT     I    77_A     I    77_A     28   44   59      5   21   29   33   36   40   42   43   45   54   59   67   69   74   78   81   85   90   96   99 
LCS_GDT     T    78_A     T    78_A     28   44   59      5   21   29   32   36   40   42   43   45   46   48   50   58   64   70   75   78   83   87   91 
LCS_GDT     L    79_A     L    79_A     28   44   59      5   21   29   33   36   40   42   43   46   56   67   68   72   77   80   82   86   90   96   99 
LCS_GDT     S    80_A     S    80_A     28   44   59      3   11   24   31   35   37   40   42   44   46   48   52   69   70   76   79   83   86   91   95 
LCS_GDT     R    81_A     R    81_A     29   44  104      3   11   26   32   36   37   40   56   62   67   69   74   77   79   83   89   91   94   99  100 
LCS_GDT     Y    82_A     Y    82_A     34   44  104      6   23   29   33   36   40   42   43   44   46   48   49   50   52   55   70   80   86   91   98 
LCS_GDT     T    83_A     T    83_A     35   44  104      5   26   31   34   37   40   42   43   45   46   48   49   51   53   64   79   86   90   97  100 
LCS_GDT     S    84_A     S    84_A     35   44  104      6   26   31   34   37   40   42   43   45   46   48   49   51   53   57   72   81   85   90   98 
LCS_GDT     P    85_A     P    85_A     35   44  104     14   30   33   34   37   40   42   43   45   46   48   51   71   74   76   83   95   97   99  100 
LCS_GDT     E    86_A     E    86_A     35   44  104     14   30   33   34   37   40   42   43   45   46   48   49   51   64   68   72   81   85   90   92 
LCS_GDT     A    87_A     A    87_A     35   44  104     14   30   33   34   37   40   42   43   45   46   48   49   51   64   76   79   82   86   92  100 
LCS_GDT     L    88_A     L    88_A     35   44  104     11   30   33   34   37   40   42   66   70   72   74   81   85   88   94   95   96   97   99  100 
LCS_GDT     E    89_A     E    89_A     35   44  104     12   30   33   34   37   40   42   43   56   64   68   75   79   88   94   95   96   97   99  100 
LCS_GDT     R    90_A     R    90_A     35   44  104     14   30   33   34   37   40   42   43   45   61   68   71   73   77   79   85   94   97   99  100 
LCS_GDT     S    91_A     S    91_A     35   44  104     14   30   33   34   37   40   42   43   45   71   74   80   85   88   94   95   96   97   99  100 
LCS_GDT     I    92_A     I    92_A     35   44  104     13   30   33   58   64   67   69   73   77   78   80   85   86   88   94   95   96   97   99  100 
LCS_GDT     T    93_A     T    93_A     35   44  104     11   30   33   34   40   60   65   68   71   72   79   82   85   88   94   95   96   97   99  100 
LCS_GDT     A    94_A     A    94_A     35   44  104     14   30   33   34   37   40   42   43   45   59   74   80   85   88   94   95   96   97   99  100 
LCS_GDT     L    95_A     L    95_A     35   44  104     14   30   33   47   56   68   69   71   73   74   79   83   86   88   94   95   96   97   99  100 
LCS_GDT     A    96_A     A    96_A     35   44  104     11   35   59   66   67   68   72   75   77   78   83   85   86   88   94   95   96   97   99  100 
LCS_GDT     A    97_A     A    97_A     35   44  104     11   27   33   34   37   68   69   71   73   77   79   83   86   88   94   95   96   97   99  100 
LCS_GDT     M    98_A     M    98_A     35   44  104     11   30   33   34   46   66   66   71   72   74   76   80   85   88   94   95   96   97   99  100 
LCS_GDT     T    99_A     T    99_A     35   44  104     14   30   33   34   37   40   42   68   70   73   76   80   86   88   94   95   96   97   99  100 
LCS_GDT     G   100_A     G   100_A     35   44  104     14   30   33   34   67   67   72   76   77   78   83   85   86   88   94   95   96   97   99  100 
LCS_GDT     H   101_A     H   101_A     35   44  104     14   30   33   34   47   68   73   76   77   81   83   85   86   88   94   95   96   97   99  100 
LCS_GDT     A   102_A     A   102_A     35   44  104     14   30   33   34   58   69   73   76   78   81   83   85   86   88   94   95   96   97   99  100 
LCS_GDT     P   103_A     P   103_A     35   44  104     13   30   33   49   62   67   72   76   78   81   83   85   86   88   94   95   96   97   99  100 
LCS_GDT     S   104_A     S   104_A     35   44  104     13   30   33   34   37   40   42   43   78   81   83   85   86   88   94   95   96   97   99  100 
LCS_GDT     S   105_A     S   105_A     35   44  104     14   30   33   34   37   40   51   70   78   81   83   85   86   88   92   95   96   97   99  100 
LCS_GDT     I   106_A     I   106_A     35   44  104     14   30   33   34   45   69   73   76   78   81   83   85   86   88   94   95   96   97   99  100 
LCS_GDT     K   107_A     K   107_A     35   44  104     14   30   33   34   48   69   73   76   78   81   83   85   86   88   94   95   96   97   99  100 
LCS_GDT     E   108_A     E   108_A     35   44  104     14   30   33   34   37   40   42   60   78   81   83   85   86   88   94   95   96   97   99  100 
LCS_GDT     E   109_A     E   109_A     35   44  104     13   30   33   34   37   40   42   51   70   81   83   85   86   88   94   95   96   97   99  100 
LCS_GDT     C   110_A     C   110_A     35   44  104     13   30   33   34   50   69   73   76   78   81   83   85   86   88   94   95   96   97   99  100 
LCS_GDT     V   111_A     V   111_A     35   44  104     13   30   33   34   42   68   73   76   78   81   83   85   86   88   94   95   96   97   99  100 
LCS_GDT     E   112_A     E   112_A     35   44  104     13   30   33   34   37   40   42   43   63   81   83   85   86   88   94   95   96   97   99  100 
LCS_GDT     L   113_A     L   113_A     35   72  104     13   30   33   34   37   40   42   43   55   76   83   85   86   88   94   95   96   97   99  100 
LCS_GDT     I   114_A     I   114_A     35   72  104     12   30   33   34   67   69   73   76   78   81   83   85   86   88   94   95   96   97   99  100 
LCS_GDT     D   115_A     D   115_A     35   72  104     12   30   33   34   37   40   72   76   78   81   83   85   86   88   94   95   96   97   99  100 
LCS_GDT     K   116_A     K   116_A     35   72  104     12   27   33   34   37   40   42   43   45   59   83   85   86   88   94   95   96   97   99  100 
LCS_GDT     L   117_A     L   117_A     35   72  104      5   26   33   34   37   40   42   43   72   80   83   85   86   88   94   95   96   97   99  100 
LCS_GDT     D   118_A     D   118_A     66   72  104      8   58   65   66   67   69   73   76   78   81   83   85   86   88   94   95   96   97   99  100 
LCS_GDT     W   119_A     W   119_A     66   72  104      3    5    5    8   58   68   73   76   78   81   83   85   86   88   94   95   96   97   99  100 
LCS_GDT     L   120_A     L   120_A     66   72  104     20   63   65   66   67   69   73   76   78   81   83   85   86   88   94   95   96   97   99  100 
LCS_GDT     R   121_A     R   121_A     66   72  104      5   63   65   66   67   69   73   76   78   81   83   85   86   88   94   95   96   97   99  100 
LCS_GDT     V   122_A     V   122_A     66   72  104     20   63   65   66   67   69   73   76   78   81   83   85   86   88   94   95   96   97   99  100 
LCS_GDT     E   123_A     E   123_A     66   72  104     48   63   65   66   67   69   73   76   78   81   83   85   86   88   94   95   96   97   99  100 
LCS_GDT     N   124_A     N   124_A     66   72  104      4   56   65   66   67   69   73   76   78   81   83   85   86   88   94   95   96   97   99  100 
LCS_GDT     D   125_A     D   125_A     66   72  104     44   63   65   66   67   69   73   76   78   81   83   85   86   88   94   95   96   97   99  100 
LCS_GDT     V   126_A     V   126_A     66   72  104     30   63   65   66   67   69   73   76   78   81   83   85   86   88   94   95   96   97   99  100 
LCS_GDT     I   127_A     I   127_A     66   72  104     48   63   65   66   67   69   73   76   78   81   83   85   86   88   94   95   96   97   99  100 
LCS_GDT     Q   128_A     Q   128_A     66   72  104     46   63   65   66   67   69   73   76   78   81   83   85   86   88   94   95   96   97   99  100 
LCS_GDT     Y   129_A     Y   129_A     66   72  104     48   63   65   66   67   69   73   76   78   81   83   85   86   88   94   95   96   97   99  100 
LCS_GDT     P   130_A     P   130_A     66   72  104     48   63   65   66   67   69   73   76   78   81   83   85   86   88   94   95   96   97   99  100 
LCS_GDT     T   131_A     T   131_A     66   72  104     45   63   65   66   67   69   73   76   78   81   83   85   86   88   94   95   96   97   99  100 
LCS_GDT     L   132_A     L   132_A     66   72  104     48   63   65   66   67   69   73   76   78   81   83   85   86   88   94   95   96   97   99  100 
LCS_GDT     S   133_A     S   133_A     66   72  104     48   63   65   66   67   69   73   76   78   81   83   85   86   88   94   95   96   97   99  100 
LCS_GDT     K   134_A     K   134_A     66   72  104     48   63   65   66   67   69   73   76   78   81   83   85   86   88   94   95   96   97   99  100 
LCS_GDT     L   135_A     L   135_A     66   72  104     48   63   65   66   67   69   73   76   78   81   83   85   86   88   94   95   96   97   99  100 
LCS_GDT     L   136_A     L   136_A     66   72  104     48   63   65   66   67   69   73   76   78   81   83   85   86   88   94   95   96   97   99  100 
LCS_GDT     E   137_A     E   137_A     66   72  104     48   63   65   66   67   69   73   76   78   81   83   85   86   88   94   95   96   97   99  100 
LCS_GDT     L   138_A     L   138_A     66   72  104     48   63   65   66   67   69   73   76   78   81   83   85   86   88   94   95   96   97   99  100 
LCS_GDT     Y   139_A     Y   139_A     66   72  104     48   63   65   66   67   69   73   76   78   81   83   85   86   88   94   95   96   97   99  100 
LCS_GDT     N   140_A     N   140_A     66   72  104     48   63   65   66   67   69   73   76   78   81   83   85   86   88   94   95   96   97   99  100 
LCS_GDT     S   141_A     S   141_A     66   72  104     48   63   65   66   67   69   73   76   78   81   83   85   86   88   94   95   96   97   99  100 
LCS_GDT     Q   142_A     Q   142_A     66   72  104     12   63   65   66   67   69   73   76   78   81   83   85   86   88   94   95   96   97   99  100 
LCS_GDT     N   143_A     N   143_A     66   72  104      7   63   65   66   67   69   73   76   78   81   83   85   86   88   94   95   96   97   99  100 
LCS_GDT     H   147_A     H   147_A     66   72  104     48   63   65   66   67   69   73   76   78   81   83   85   86   88   94   95   96   97   99  100 
LCS_GDT     L   148_A     L   148_A     66   72  104     48   63   65   66   67   69   73   76   78   81   83   85   86   88   94   95   96   97   99  100 
LCS_GDT     S   149_A     S   149_A     66   72  104     48   63   65   66   67   69   73   76   78   81   83   85   86   88   94   95   96   97   99  100 
LCS_GDT     I   150_A     I   150_A     66   72  104     48   63   65   66   67   69   73   76   78   81   83   85   86   88   94   95   96   97   99  100 
LCS_GDT     E   151_A     E   151_A     66   72  104     48   63   65   66   67   69   73   76   78   81   83   85   86   88   94   95   96   97   99  100 
LCS_GDT     K   152_A     K   152_A     66   72  104     48   63   65   66   67   69   73   76   78   81   83   85   86   88   94   95   96   97   99  100 
LCS_GDT     L   153_A     L   153_A     66   72  104     48   63   65   66   67   69   73   76   78   81   83   85   86   88   94   95   96   97   99  100 
LCS_GDT     I   154_A     I   154_A     66   72  104     48   63   65   66   67   69   73   76   78   81   83   85   86   88   94   95   96   97   99  100 
LCS_GDT     A   155_A     A   155_A     66   72  104     48   63   65   66   67   69   73   76   78   81   83   85   86   88   94   95   96   97   99  100 
LCS_GDT     G   156_A     G   156_A     66   72  104     48   63   65   66   67   69   73   76   78   81   83   85   86   88   94   95   96   97   99  100 
LCS_GDT     L   157_A     L   157_A     66   72  104     48   63   65   66   67   69   73   76   78   81   83   85   86   88   94   95   96   97   99  100 
LCS_GDT     A   158_A     A   158_A     66   72  104     48   63   65   66   67   69   73   76   78   81   83   85   86   88   94   95   96   97   99  100 
LCS_GDT     V   159_A     V   159_A     66   72  104     48   63   65   66   67   69   73   76   78   81   83   85   86   88   94   95   96   97   99  100 
LCS_GDT     R   160_A     R   160_A     66   72  104     48   63   65   66   67   69   73   76   78   81   83   85   86   88   94   95   96   97   99  100 
LCS_GDT     R   161_A     R   161_A     66   72  104     14   63   65   66   67   69   73   76   78   81   83   85   86   88   94   95   96   97   99  100 
LCS_GDT     K   162_A     K   162_A     66   72  104     44   63   65   66   67   69   73   76   78   81   83   85   86   88   94   95   96   97   99  100 
LCS_GDT     V   163_A     V   163_A     66   72  104     48   63   65   66   67   69   73   76   78   81   83   85   86   88   94   95   96   97   99  100 
LCS_GDT     C   164_A     C   164_A     66   72  104     48   63   65   66   67   69   73   76   78   81   83   85   86   88   94   95   96   97   99  100 
LCS_GDT     K   165_A     K   165_A     66   72  104     48   63   65   66   67   69   73   76   78   81   83   85   86   88   94   95   96   97   99  100 
LCS_GDT     L   166_A     L   166_A     66   72  104     48   63   65   66   67   69   73   76   78   81   83   85   86   88   94   95   96   97   99  100 
LCS_GDT     V   167_A     V   167_A     66   72  104     48   63   65   66   67   69   73   76   78   81   83   85   86   88   94   95   96   97   99  100 
LCS_GDT     Q   168_A     Q   168_A     66   72  104     48   63   65   66   67   69   73   76   78   81   83   85   86   88   94   95   96   97   99  100 
LCS_GDT     D   169_A     D   169_A     66   72  104     48   63   65   66   67   69   73   76   78   81   83   85   86   88   94   95   96   97   99  100 
LCS_GDT     G   170_A     G   170_A     66   72  104     48   63   65   66   67   69   73   76   78   81   83   85   86   88   94   95   96   97   99  100 
LCS_GDT     H   171_A     H   171_A     66   72  104     48   63   65   66   67   69   73   76   78   81   83   85   86   88   94   95   96   97   99  100 
LCS_GDT     I   172_A     I   172_A     66   72  104     48   63   65   66   67   69   73   76   78   81   83   85   86   88   94   95   96   97   99  100 
LCS_GDT     D   173_A     D   173_A     66   72  104     48   63   65   66   67   69   73   76   78   81   83   85   86   88   94   95   96   97   99  100 
LCS_GDT     E   174_A     E   174_A     66   72  104     48   63   65   66   67   69   73   76   78   81   83   85   86   88   94   95   96   97   99  100 
LCS_GDT     T   175_A     T   175_A     66   72  104     45   63   65   66   67   69   73   76   78   81   83   85   86   88   94   95   96   97   99  100 
LCS_GDT     V   176_A     V   176_A     66   72  104     48   63   65   66   67   69   73   76   78   81   83   85   86   88   94   95   96   97   99  100 
LCS_GDT     Y   177_A     Y   177_A     66   72  104     48   63   65   66   67   69   73   76   78   81   83   85   86   88   94   95   96   97   99  100 
LCS_GDT     R   178_A     R   178_A     66   72  104     48   63   65   66   67   69   73   76   78   81   83   85   86   88   94   95   96   97   99  100 
LCS_GDT     A   179_A     A   179_A     66   72  104     44   63   65   66   67   69   73   76   78   81   83   85   86   88   94   95   96   97   99  100 
LCS_GDT     L   180_A     L   180_A     66   72  104     48   63   65   66   67   69   73   76   78   81   83   85   86   88   94   95   96   97   99  100 
LCS_GDT     D   181_A     D   181_A     66   72  104     48   63   65   66   67   69   73   76   78   81   83   85   86   88   94   95   96   97   99  100 
LCS_GDT     E   182_A     E   182_A     66   72  104     48   63   65   66   67   69   73   76   78   81   83   85   86   88   94   95   96   97   99  100 
LCS_GDT     M   183_A     M   183_A     66   72  104     48   63   65   66   67   69   73   76   78   81   83   85   86   88   94   95   96   97   99  100 
LCS_GDT     A   184_A     A   184_A     66   72  104     48   63   65   66   67   69   73   76   78   81   83   85   86   88   94   95   96   97   99  100 
LCS_GDT     A   185_A     A   185_A     66   72  104     48   63   65   66   67   69   73   76   78   81   83   85   86   88   94   95   96   97   99  100 
LCS_GDT     G   186_A     G   186_A     66   72  104     48   63   65   66   67   69   73   76   78   81   83   85   86   88   94   95   96   97   99  100 
LCS_GDT     A   187_A     A   187_A     65   72  104      3    3    3    9   16   48   64   75   78   81   83   85   86   87   90   94   96   96   99  100 
LCS_AVERAGE  LCS_A:  52.07  (  37.66   44.39   74.17 )

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     48     63     65     66     67     69     73     76     78     81     83     85     86     88     94     95     96     97     99    100 
GDT PERCENT_AT  38.10  50.00  51.59  52.38  53.17  54.76  57.94  60.32  61.90  64.29  65.87  67.46  68.25  69.84  74.60  75.40  76.19  76.98  78.57  79.37
GDT RMS_LOCAL    0.32   0.49   0.54   0.67   0.76   1.20   1.56   1.81   2.13   2.42   2.57   2.72   2.81   3.10   3.77   3.86   3.89   4.13   4.25   4.38
GDT RMS_ALL_AT  13.85  13.87  13.83  13.74  13.77  14.21  14.44  14.45  15.02  15.03  14.77  14.69  14.78  14.26  13.99  14.06  14.09  14.06  14.04  14.01

# Checking swapping
#   possible swapping detected:  E    74_A      E    74_A
#   possible swapping detected:  Y    82_A      Y    82_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    56.198     6    0.562   0.576    57.089    0.000    0.000
LGA    R    60_A      R    60_A    51.236     6    0.512   0.471    52.976    0.000    0.000
LGA    V    61_A      V    61_A    46.248     0    0.093   0.153    48.331    0.000    0.000
LGA    K    62_A      K    62_A    45.240     0    0.075   0.747    51.235    0.000    0.000
LGA    L    63_A      L    63_A    39.590     0    0.079   0.346    41.993    0.000    0.000
LGA    R    64_A      R    64_A    38.650     6    0.370   0.471    38.650    0.000    0.000
LGA    K    65_A      K    65_A    35.474     0    0.595   0.986    41.801    0.000    0.000
LGA    H    66_A      H    66_A    30.172     0    0.622   0.530    32.307    0.000    0.000
LGA    L    67_A      L    67_A    30.376     0    0.146   1.321    35.461    0.000    0.000
LGA    V    68_A      V    68_A    27.439     0    0.153   1.048    28.309    0.000    0.000
LGA    E    69_A      E    69_A    29.637     0    0.121   1.067    37.524    0.000    0.000
LGA    I    70_A      I    70_A    26.123     0    0.085   0.254    27.325    0.000    0.000
LGA    N    71_A      N    71_A    29.433     0    0.023   0.210    34.328    0.000    0.000
LGA    A    72_A      A    72_A    26.522     0    0.539   0.496    27.738    0.000    0.000
LGA    D    73_A      D    73_A    28.605     0    0.460   0.430    31.511    0.000    0.000
LGA    E    74_A      E    74_A    25.358     0    0.577   1.010    30.952    0.000    0.000
LGA    I    75_A      I    75_A    19.962     0    0.178   0.918    21.685    0.000    0.000
LGA    T    76_A      T    76_A    21.066     0    0.032   1.036    25.915    0.000    0.000
LGA    I    77_A      I    77_A    16.644     0    0.068   0.552    17.992    0.000    0.000
LGA    T    78_A      T    78_A    18.137     0    0.079   0.913    22.623    0.000    0.000
LGA    L    79_A      L    79_A    13.330     0    0.193   0.358    15.024    0.000    0.179
LGA    S    80_A      S    80_A    14.170     0    0.108   0.226    16.107    0.000    0.000
LGA    R    81_A      R    81_A     9.669     0    0.202   0.898    11.693    0.952    5.065
LGA    Y    82_A      Y    82_A    13.098     0    0.340   1.316    16.984    0.000    0.000
LGA    T    83_A      T    83_A    12.603     0    0.108   0.882    12.603    0.000    0.000
LGA    S    84_A      S    84_A    14.389     0    0.043   0.051    16.933    0.000    0.000
LGA    P    85_A      P    85_A    12.364     0    0.028   0.285    14.169    0.000    0.000
LGA    E    86_A      E    86_A    15.619     0    0.129   1.288    20.530    0.000    0.000
LGA    A    87_A      A    87_A    14.486     0    0.066   0.071    15.004    0.000    0.000
LGA    L    88_A      L    88_A     9.166     0    0.049   0.094    11.014    2.857   10.119
LGA    E    89_A      E    89_A    10.443     0    0.039   1.186    12.834    0.119    0.053
LGA    R    90_A      R    90_A    13.044     0    0.020   0.938    20.851    0.000    0.000
LGA    S    91_A      S    91_A    10.295     0    0.038   0.665    11.042    1.429    1.032
LGA    I    92_A      I    92_A     5.819     0    0.064   0.143     7.366   18.690   25.119
LGA    T    93_A      T    93_A     9.008     0    0.036   0.077    11.709    2.262    1.293
LGA    A    94_A      A    94_A    11.276     0    0.037   0.042    12.708    0.000    0.000
LGA    L    95_A      L    95_A     8.228     0    0.044   0.396     9.445    7.738    5.893
LGA    A    96_A      A    96_A     4.722     0    0.024   0.059     5.731   25.119   27.524
LGA    A    97_A      A    97_A     8.588     0    0.070   0.095    10.575    3.929    3.143
LGA    M    98_A      M    98_A    11.090     0    0.033   1.003    16.306    0.119    0.060
LGA    T    99_A      T    99_A     8.844     0    0.063   0.098     9.799    4.405    4.898
LGA    G   100_A      G   100_A     4.733     0    0.011   0.011     5.975   33.333   33.333
LGA    H   101_A      H   101_A     4.443     5    0.010   0.051     5.254   47.262   21.524
LGA    A   102_A      A   102_A     4.570     0    0.062   0.107     6.342   35.714   32.000
LGA    P   103_A      P   103_A     4.240     0    0.096   0.365     6.432   34.405   29.592
LGA    S   104_A      S   104_A     7.758     0    0.019   0.248     9.494    9.405    6.984
LGA    S   105_A      S   105_A     7.568     0    0.115   0.465    10.783   11.905    8.730
LGA    I   106_A      I   106_A     3.856     0    0.031   0.056     4.914   43.690   46.905
LGA    K   107_A      K   107_A     4.119     0    0.020   0.270    10.654   35.833   21.164
LGA    E   108_A      E   108_A     7.680     3    0.051   0.706     9.237   10.357    5.079
LGA    E   109_A      E   109_A     7.272     0    0.039   0.798    10.565   13.452    7.037
LGA    C   110_A      C   110_A     3.488     0    0.039   0.035     4.486   46.786   47.937
LGA    V   111_A      V   111_A     4.351     0    0.019   0.053     6.948   33.214   27.687
LGA    E   112_A      E   112_A     7.611     0    0.057   0.644    13.540   10.357    4.921
LGA    L   113_A      L   113_A     6.853     0    0.035   0.150    10.730   16.310   10.357
LGA    I   114_A      I   114_A     2.974     0    0.101   0.112     3.993   50.119   52.798
LGA    D   115_A      D   115_A     5.234     0    0.124   0.912     6.990   23.452   19.881
LGA    K   116_A      K   116_A     7.695     2    0.230   0.223    10.855   10.357    4.921
LGA    L   117_A      L   117_A     5.793     0    0.602   0.725     9.172   22.857   18.690
LGA    D   118_A      D   118_A     2.157     0    0.670   1.161     6.002   59.881   46.190
LGA    W   119_A      W   119_A     3.540     0    0.693   1.160    13.493   63.452   20.272
LGA    L   120_A      L   120_A     0.793     0    0.456   0.479     2.730   88.452   79.762
LGA    R   121_A      R   121_A     1.558     0    0.086   0.990     3.623   72.857   67.965
LGA    V   122_A      V   122_A     1.402     0    0.158   0.156     1.694   79.286   78.980
LGA    E   123_A      E   123_A     0.868     4    0.042   0.045     1.590   83.810   47.302
LGA    N   124_A      N   124_A     1.677     0    0.057   0.166     3.673   79.286   64.702
LGA    D   125_A      D   125_A     1.111     0    0.062   0.650     2.187   88.214   79.524
LGA    V   126_A      V   126_A     0.838     0    0.036   0.107     1.062   88.214   86.599
LGA    I   127_A      I   127_A     0.597     0    0.053   0.091     1.132   88.214   89.345
LGA    Q   128_A      Q   128_A     1.085     0    0.093   1.216     5.132   88.214   68.519
LGA    Y   129_A      Y   129_A     0.694     0    0.039   0.181     2.163   90.476   81.667
LGA    P   130_A      P   130_A     0.684     0    0.047   0.050     0.820   90.476   90.476
LGA    T   131_A      T   131_A     0.898     0    0.033   0.098     1.346   90.476   86.599
LGA    L   132_A      L   132_A     0.721     0    0.046   0.224     1.150   90.476   90.536
LGA    S   133_A      S   133_A     0.692     0    0.070   0.632     1.916   95.238   90.714
LGA    K   134_A      K   134_A     0.281     4    0.079   0.080     0.465  100.000   55.556
LGA    L   135_A      L   135_A     0.206     0    0.029   0.193     0.477  100.000  100.000
LGA    L   136_A      L   136_A     0.430     0    0.039   0.484     1.988  100.000   93.095
LGA    E   137_A      E   137_A     0.262     4    0.052   0.051     0.404  100.000   55.556
LGA    L   138_A      L   138_A     0.211     3    0.013   0.027     0.447  100.000   62.500
LGA    Y   139_A      Y   139_A     0.552     0    0.020   0.081     1.162   92.857   88.254
LGA    N   140_A      N   140_A     0.434     0    0.064   0.114     0.874  100.000   96.429
LGA    S   141_A      S   141_A     0.308     0    0.168   0.183     0.619   97.619   98.413
LGA    Q   142_A      Q   142_A     0.791     4    0.242   0.235     0.842   90.476   50.265
LGA    N   143_A      N   143_A     1.071     3    0.020   0.018     1.233   81.429   52.024
LGA    H   147_A      H   147_A     1.129     0    0.122   1.184     2.908   79.286   74.857
LGA    L   148_A      L   148_A     0.543     0    0.040   0.070     0.783   90.476   90.476
LGA    S   149_A      S   149_A     0.595     0    0.019   0.055     0.793   90.476   90.476
LGA    I   150_A      I   150_A     0.706     0    0.032   1.212     3.530   90.476   77.202
LGA    E   151_A      E   151_A     0.937     0    0.044   0.740     2.832   90.476   80.952
LGA    K   152_A      K   152_A     0.893     0    0.051   0.691     2.472   90.476   87.672
LGA    L   153_A      L   153_A     0.785     0    0.033   0.095     0.893   90.476   90.476
LGA    I   154_A      I   154_A     0.859     0    0.013   0.085     1.114   88.214   88.214
LGA    A   155_A      A   155_A     1.106     0    0.038   0.043     1.201   81.429   81.429
LGA    G   156_A      G   156_A     0.958     0    0.045   0.045     0.958   90.476   90.476
LGA    L   157_A      L   157_A     0.883     0    0.090   0.111     0.973   90.476   90.476
LGA    A   158_A      A   158_A     1.166     0    0.125   0.138     1.327   81.429   81.429
LGA    V   159_A      V   159_A     1.516     0    0.252   1.188     3.074   72.976   73.401
LGA    R   160_A      R   160_A     1.248     0    0.077   0.952     3.069   83.690   78.658
LGA    R   161_A      R   161_A     1.651     0    0.108   1.108     8.171   77.143   52.381
LGA    K   162_A      K   162_A     1.394     0    0.046   0.529     3.315   81.429   69.841
LGA    V   163_A      V   163_A     0.655     0    0.016   0.071     0.939   95.238   93.197
LGA    C   164_A      C   164_A     0.642     0    0.043   0.061     0.961   90.476   90.476
LGA    K   165_A      K   165_A     0.714     0    0.026   1.082     5.324   90.476   68.783
LGA    L   166_A      L   166_A     0.627     0    0.061   0.127     0.902   90.476   90.476
LGA    V   167_A      V   167_A     0.568     0    0.017   0.043     0.664   90.476   91.837
LGA    Q   168_A      Q   168_A     0.536     0    0.019   0.948     3.289   90.476   83.968
LGA    D   169_A      D   169_A     0.548     0    0.027   0.193     0.877   92.857   92.857
LGA    G   170_A      G   170_A     0.592     0    0.074   0.074     0.987   90.476   90.476
LGA    H   171_A      H   171_A     0.606     0    0.082   1.031     2.559   90.476   81.095
LGA    I   172_A      I   172_A     0.562     0    0.155   0.747     3.462   88.214   85.476
LGA    D   173_A      D   173_A     0.812     0    0.087   1.146     3.143   90.476   84.286
LGA    E   174_A      E   174_A     0.839     4    0.036   0.046     0.969   90.476   50.265
LGA    T   175_A      T   175_A     0.901     0    0.021   1.177     2.474   90.476   81.837
LGA    V   176_A      V   176_A     0.649     0    0.021   0.071     0.800   90.476   90.476
LGA    Y   177_A      Y   177_A     0.926     7    0.011   0.035     1.036   90.476   36.944
LGA    R   178_A      R   178_A     0.930     0    0.046   0.783     4.812   90.476   72.814
LGA    A   179_A      A   179_A     0.655     0    0.036   0.037     0.801   90.476   90.476
LGA    L   180_A      L   180_A     0.750     0    0.019   0.178     0.836   90.476   90.476
LGA    D   181_A      D   181_A     0.957     0    0.038   0.170     1.459   90.476   87.083
LGA    E   182_A      E   182_A     1.009     0    0.017   0.193     1.591   85.952   83.492
LGA    M   183_A      M   183_A     0.790     0    0.061   0.127     1.253   90.476   89.345
LGA    A   184_A      A   184_A     0.903     0    0.060   0.074     1.317   85.952   86.857
LGA    A   185_A      A   185_A     1.114     0    0.234   0.263     2.281   77.262   78.095
LGA    G   186_A      G   186_A     0.915     0    0.221   0.221     3.931   72.262   72.262
LGA    A   187_A      A   187_A     4.832     0    0.222   0.290     5.605   36.786   33.714

# 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):    12.419         12.237                 12.545           50.777   45.243

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  184  126    4.0     76    1.81    59.524    55.595     3.989

LGA_LOCAL      RMSD:   1.805  Number of atoms:   76  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  14.449  Number of assigned atoms:  126 
Std_ASGN_ATOMS RMSD:  12.419  Standard rmsd on all 126 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.646459 * X  +  -0.727104 * Y  +   0.231107 * Z  + -23.141047
  Y_new =  -0.128880 * X  +  -0.194488 * Y  +  -0.972401 * Z  +  18.566013
  Z_new =   0.751984 * X  +  -0.658403 * Y  +   0.032019 * Z  +  15.821925 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.944809 -0.851067 -1.522203   [DEG: -168.7252  -48.7626  -87.2158 ]
ZXZ:  0.233337  1.538772  2.289940   [DEG:   13.3692   88.1651  131.2039 ]
 
# END of job
