
#######################################################
#                                                     #
#                        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:    59      69_A - 127_A       4.79    18.22
  LCS_AVERAGE:     36.66

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    43      76_A - 118_A       1.90    19.78
  LCS_AVERAGE:     21.01

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    35      81_A - 115_A       0.98    19.83
  LONGEST_CONTINUOUS_SEGMENT:    35      82_A - 116_A       0.96    19.81
  LCS_AVERAGE:     14.70

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    4   10      3    3    3    4    5    8   13   16   22   22   25   28   30   31   38   39   40   41   43   44 
LCS_GDT     R    60_A     R    60_A      3    4   10      3    3    4    5    6    7    7    8   21   23   28   30   35   36   39   40   41   41   42   43 
LCS_GDT     V    61_A     V    61_A      3    4   10      3   10   13   16   19   23   25   27   28   31   34   36   37   38   39   40   41   41   43   44 
LCS_GDT     K    62_A     K    62_A      3    4   10      6   12   15   17   19   22   25   26   28   30   34   36   37   38   39   40   41   41   43   46 
LCS_GDT     L    63_A     L    63_A      3    3   13      1    4   14   16   19   20   24   26   28   30   33   36   37   38   39   40   41   41   43   44 
LCS_GDT     R    64_A     R    64_A      4    5   13      3    4    4    5    5    6   24   26   28   30   34   36   37   38   39   40   41   41   43   44 
LCS_GDT     K    65_A     K    65_A      4    5   13      3    4    4    5    5    5    6    9   11   13   25   27   30   37   39   40   41   41   43   44 
LCS_GDT     H    66_A     H    66_A      4    5   13      3    4    4    5    5    5    6   10   12   28   34   36   37   38   39   40   41   41   43   44 
LCS_GDT     L    67_A     L    67_A      4    5   13      3    6   10   15   21   23   27   30   33   33   34   36   37   38   39   40   41   41   43   45 
LCS_GDT     V    68_A     V    68_A      3    5   58      1    4    9   15   21   25   27   30   33   33   34   35   37   38   39   40   41   41   44   46 
LCS_GDT     E    69_A     E    69_A      3    3   59      3    3    3    4   15   17   19   27   30   33   34   38   43   48   51   54   59   63   68   77 
LCS_GDT     I    70_A     I    70_A      3    3   59      3    3    3    4    6    6   15   20   29   33   44   45   48   50   53   54   57   59   62   69 
LCS_GDT     N    71_A     N    71_A      3    4   59      3    3    4    5    7   11   20   28   40   44   45   47   49   50   53   54   57   59   62   69 
LCS_GDT     A    72_A     A    72_A      4    5   59      3    4    4    5   19   22   24   35   43   45   47   48   50   51   53   54   57   61   69   73 
LCS_GDT     D    73_A     D    73_A      4    5   59      3    4    4    5    5    5    5    8   10   39   44   46   50   50   52   53   56   56   58   60 
LCS_GDT     E    74_A     E    74_A      4    5   59      3    4    4    5    5    6    8    9    9   17   24   36   46   49   52   53   54   56   57   58 
LCS_GDT     I    75_A     I    75_A      4    5   59      3    4    4    5    6    6    8   12   22   39   44   47   50   50   52   54   56   58   60   65 
LCS_GDT     T    76_A     T    76_A      3   43   59      1    4    4    5    5    6    6    7   35   43   44   47   50   51   53   54   57   59   68   73 
LCS_GDT     I    77_A     I    77_A      3   43   59      1    3    4   13   22   35   41   42   44   45   47   48   50   51   53   54   62   66   72   79 
LCS_GDT     T    78_A     T    78_A      3   43   59      1   14   25   33   37   40   41   42   44   45   47   48   50   51   53   54   57   61   72   79 
LCS_GDT     L    79_A     L    79_A      3   43   59      0    3    7   31   37   40   41   42   44   45   47   48   50   59   63   65   68   72   75   79 
LCS_GDT     S    80_A     S    80_A      3   43   59      1    4   16   18   36   40   41   42   44   45   47   48   51   59   63   65   68   72   75   79 
LCS_GDT     R    81_A     R    81_A     35   43   59      3   15   18   28   35   38   40   42   44   45   47   48   51   59   63   65   68   72   75   79 
LCS_GDT     Y    82_A     Y    82_A     35   43   59      3   28   33   35   37   40   41   42   44   45   47   48   50   54   63   65   68   72   75   79 
LCS_GDT     T    83_A     T    83_A     35   43   59     16   29   33   35   37   40   41   42   44   45   47   48   50   58   63   65   68   72   75   79 
LCS_GDT     S    84_A     S    84_A     35   43   59     16   29   33   35   37   40   41   42   44   45   47   48   50   59   63   65   68   72   75   79 
LCS_GDT     P    85_A     P    85_A     35   43   59      9   29   33   35   37   40   41   42   44   45   47   48   51   59   63   65   68   72   75   79 
LCS_GDT     E    86_A     E    86_A     35   43   59      9   29   33   35   37   40   41   42   44   45   47   48   51   59   63   65   68   72   75   79 
LCS_GDT     A    87_A     A    87_A     35   43   59     16   29   33   35   37   40   41   42   44   45   47   48   51   59   63   65   68   72   75   79 
LCS_GDT     L    88_A     L    88_A     35   43   59     16   29   33   35   37   40   41   42   44   45   47   48   51   59   63   65   68   72   75   79 
LCS_GDT     E    89_A     E    89_A     35   43   59     16   29   33   35   37   40   41   42   44   45   47   48   51   59   63   65   68   72   75   79 
LCS_GDT     R    90_A     R    90_A     35   43   59     16   29   33   35   37   40   41   42   44   45   47   48   51   59   63   65   68   72   75   79 
LCS_GDT     S    91_A     S    91_A     35   43   59     16   29   33   35   37   40   41   42   44   45   47   48   51   59   63   65   68   72   75   79 
LCS_GDT     I    92_A     I    92_A     35   43   59     16   29   33   35   37   40   41   42   44   45   47   48   51   59   63   65   68   72   75   79 
LCS_GDT     T    93_A     T    93_A     35   43   59     14   29   33   35   37   40   41   42   44   45   47   48   51   59   63   65   68   72   75   79 
LCS_GDT     A    94_A     A    94_A     35   43   59     16   29   33   35   37   40   41   42   44   45   47   48   51   59   63   65   68   72   75   79 
LCS_GDT     L    95_A     L    95_A     35   43   59     16   29   33   35   37   40   41   42   44   45   47   48   51   59   63   65   68   72   75   79 
LCS_GDT     A    96_A     A    96_A     35   43   59      9   29   33   35   37   40   41   42   44   45   47   48   51   59   63   65   68   72   75   79 
LCS_GDT     A    97_A     A    97_A     35   43   59      9   29   33   35   37   40   41   42   44   45   47   48   51   59   63   65   68   72   75   79 
LCS_GDT     M    98_A     M    98_A     35   43   59     14   29   33   35   37   40   41   42   44   45   47   48   50   51   59   64   68   72   75   79 
LCS_GDT     T    99_A     T    99_A     35   43   59     16   29   33   35   37   40   41   42   44   45   47   48   50   51   53   54   62   66   72   79 
LCS_GDT     G   100_A     G   100_A     35   43   59      4   29   33   35   37   40   41   42   44   45   47   48   50   51   52   54   59   64   69   73 
LCS_GDT     H   101_A     H   101_A     35   43   59     16   29   33   35   37   40   41   42   44   45   47   48   50   51   53   54   62   67   75   79 
LCS_GDT     A   102_A     A   102_A     35   43   59     11   29   33   35   37   40   41   42   44   45   47   48   50   51   53   54   68   72   75   79 
LCS_GDT     P   103_A     P   103_A     35   43   59     11   29   33   35   37   40   41   42   44   45   47   48   51   59   63   65   68   72   75   79 
LCS_GDT     S   104_A     S   104_A     35   43   59     11   29   33   35   37   40   41   42   44   45   47   48   50   51   62   65   68   72   75   79 
LCS_GDT     S   105_A     S   105_A     35   43   59     16   29   33   35   37   40   41   42   44   45   47   48   50   51   53   60   68   72   75   79 
LCS_GDT     I   106_A     I   106_A     35   43   59     16   29   33   35   37   40   41   42   44   45   47   48   51   59   63   65   68   72   75   79 
LCS_GDT     K   107_A     K   107_A     35   43   59     16   29   33   35   37   40   41   42   44   45   47   48   51   59   63   65   68   72   75   79 
LCS_GDT     E   108_A     E   108_A     35   43   59     16   29   33   35   37   40   41   42   44   45   47   48   51   59   63   65   68   72   75   79 
LCS_GDT     E   109_A     E   109_A     35   43   59     13   29   33   35   37   40   41   42   44   45   47   48   51   59   63   65   68   72   75   79 
LCS_GDT     C   110_A     C   110_A     35   43   59     11   29   33   35   37   40   41   42   44   45   47   48   51   59   63   65   68   72   75   79 
LCS_GDT     V   111_A     V   111_A     35   43   59     10   29   33   35   37   40   41   42   44   45   47   48   51   59   63   65   68   72   75   79 
LCS_GDT     E   112_A     E   112_A     35   43   59     10   28   33   35   37   40   41   42   44   45   47   48   51   59   63   65   68   72   75   79 
LCS_GDT     L   113_A     L   113_A     35   43   59     11   26   33   35   37   40   41   42   44   45   47   48   51   59   63   65   68   72   75   79 
LCS_GDT     I   114_A     I   114_A     35   43   59      8   22   33   35   37   40   41   42   44   45   47   48   51   59   63   65   68   72   75   79 
LCS_GDT     D   115_A     D   115_A     35   43   59      9   22   33   35   37   40   41   42   44   45   47   48   51   59   63   65   68   72   75   79 
LCS_GDT     K   116_A     K   116_A     35   43   59      6   22   30   35   37   40   41   42   44   45   47   48   51   59   63   65   68   72   75   79 
LCS_GDT     L   117_A     L   117_A     31   43   59      4   13   25   34   37   40   41   42   44   45   47   48   51   59   63   65   68   72   75   79 
LCS_GDT     D   118_A     D   118_A     24   43   59      1    3   19   32   37   40   41   42   44   45   47   48   51   59   63   65   68   72   75   79 
LCS_GDT     W   119_A     W   119_A      3   35   59      3    3    4    6    8   10   16   21   31   38   44   47   50   54   63   65   68   72   75   79 
LCS_GDT     L   120_A     L   120_A      6   18   59      3    5    8   11   13   18   25   28   30   34   40   45   50   54   63   65   68   72   75   79 
LCS_GDT     R   121_A     R   121_A     10   25   59      3    7   11   17   22   24   26   28   41   45   47   48   51   59   63   65   68   72   75   79 
LCS_GDT     V   122_A     V   122_A     10   25   59      3    7   15   19   22   24   26   28   30   38   40   44   50   51   56   61   67   70   71   77 
LCS_GDT     E   123_A     E   123_A     10   25   59      3    7   12   19   26   35   38   42   44   45   47   48   50   51   62   65   68   72   75   79 
LCS_GDT     N   124_A     N   124_A     10   25   59      4    7   11   13   29   36   40   42   44   45   47   48   51   59   63   65   68   72   75   79 
LCS_GDT     D   125_A     D   125_A     10   25   59      4    7   11   19   22   24   28   36   41   45   47   48   51   59   63   65   68   72   75   79 
LCS_GDT     V   126_A     V   126_A     18   25   59      4    7   13   19   22   24   28   32   35   41   44   48   51   59   63   65   68   72   75   79 
LCS_GDT     I   127_A     I   127_A     18   25   59      4   13   17   19   22   24   26   28   30   37   44   46   51   59   63   65   68   72   75   79 
LCS_GDT     Q   128_A     Q   128_A     18   25   58      6   16   17   19   22   24   26   28   30   31   33   36   39   45   54   62   66   70   73   79 
LCS_GDT     Y   129_A     Y   129_A     18   25   55     10   16   17   19   22   24   26   28   30   31   33   36   39   44   50   61   64   68   71   76 
LCS_GDT     P   130_A     P   130_A     18   25   43     10   16   17   19   22   24   26   28   30   31   33   34   37   38   41   47   49   51   56   64 
LCS_GDT     T   131_A     T   131_A     18   25   40      6   16   17   19   22   24   26   28   30   31   33   34   37   38   42   48   55   61   67   71 
LCS_GDT     L   132_A     L   132_A     18   25   39     10   16   17   19   22   24   26   28   30   31   33   34   38   43   48   54   62   66   69   73 
LCS_GDT     S   133_A     S   133_A     18   25   39     10   16   17   19   22   24   26   28   30   31   33   34   37   38   42   48   49   53   58   70 
LCS_GDT     K   134_A     K   134_A     18   25   36     10   16   17   19   22   24   26   28   30   31   33   34   36   38   40   41   44   46   50   53 
LCS_GDT     L   135_A     L   135_A     18   25   36     10   16   17   19   22   24   26   28   30   31   33   34   36   38   40   41   44   46   50   53 
LCS_GDT     L   136_A     L   136_A     18   25   36     10   16   17   19   22   24   26   28   30   31   33   34   36   38   40   41   44   46   50   53 
LCS_GDT     E   137_A     E   137_A     18   25   35     10   16   17   19   22   24   26   28   30   31   33   34   36   38   40   41   44   45   47   51 
LCS_GDT     L   138_A     L   138_A     18   25   35      8   16   17   19   22   24   26   28   30   31   33   34   36   38   40   41   44   45   47   49 
LCS_GDT     Y   139_A     Y   139_A     18   25   35      8   16   17   19   22   24   26   28   30   31   33   34   36   38   40   41   44   45   47   49 
LCS_GDT     N   140_A     N   140_A     18   25   35     10   16   17   19   22   24   26   28   30   31   33   34   36   38   40   41   44   45   47   49 
LCS_GDT     S   141_A     S   141_A     18   25   35     10   16   17   19   22   24   26   28   30   31   33   34   36   38   40   41   44   45   47   49 
LCS_GDT     Q   142_A     Q   142_A     18   25   35      6   16   17   19   21   23   26   28   30   31   33   34   36   38   40   41   44   45   47   49 
LCS_GDT     N   143_A     N   143_A     18   25   35      6   16   17   19   22   24   26   28   30   31   33   34   36   38   40   41   44   45   47   49 
LCS_GDT     H   147_A     H   147_A      3   25   35      0    3    3    8   10   22   26   27   29   31   33   34   34   38   40   41   44   45   47   49 
LCS_GDT     L   148_A     L   148_A      3   25   35      2    6    9   16   22   24   26   27   30   31   33   34   36   38   40   41   44   45   47   51 
LCS_GDT     S   149_A     S   149_A     13   22   35      8   11   12   13   15   17   20   24   28   31   33   34   36   38   48   56   60   66   69   73 
LCS_GDT     I   150_A     I   150_A     13   13   38      8   11   12   13   15   15   15   18   22   24   27   29   34   38   45   56   60   66   70   73 
LCS_GDT     E   151_A     E   151_A     13   13   38      8   11   12   13   15   17   25   26   30   37   42   46   50   59   63   65   68   72   75   79 
LCS_GDT     K   152_A     K   152_A     13   13   38      8   11   12   13   15   21   25   28   34   38   42   46   51   59   63   65   68   72   75   79 
LCS_GDT     L   153_A     L   153_A     13   13   38      8   11   12   13   15   15   15   18   22   24   27   32   41   47   55   61   66   70   74   77 
LCS_GDT     I   154_A     I   154_A     13   13   38      8   11   12   13   15   17   19   20   23   34   40   46   49   59   63   65   68   72   75   79 
LCS_GDT     A   155_A     A   155_A     13   13   38      8   15   16   17   18   23   26   30   35   39   44   46   51   59   63   65   68   72   75   79 
LCS_GDT     G   156_A     G   156_A     13   13   38      8   11   12   13   20   25   27   30   33   33   41   46   49   59   63   65   68   72   75   79 
LCS_GDT     L   157_A     L   157_A     13   13   38      5   11   12   13   15   15   26   30   33   33   34   36   37   40   45   48   59   68   73   79 
LCS_GDT     A   158_A     A   158_A     13   13   38      5   11   12   18   20   25   27   30   33   33   34   35   37   45   47   56   65   71   75   79 
LCS_GDT     V   159_A     V   159_A     13   16   38      4   11   12   13   15   15   17   30   33   33   34   36   39   45   49   54   65   70   75   79 
LCS_GDT     R   160_A     R   160_A     14   20   38      6   12   15   17   19   23   25   30   33   33   34   36   37   39   44   48   53   56   63   68 
LCS_GDT     R   161_A     R   161_A     14   20   38     10   12   15   17   19   23   25   30   33   33   34   36   37   38   39   40   47   51   55   56 
LCS_GDT     K   162_A     K   162_A     14   20   38      6   12   15   17   19   23   25   30   33   33   34   36   37   38   44   48   53   56   60   68 
LCS_GDT     V   163_A     V   163_A     14   20   38     10   12   15   17   21   25   27   30   33   33   34   42   48   54   54   64   66   72   75   79 
LCS_GDT     C   164_A     C   164_A     14   20   38     10   12   15   17   21   23   27   30   33   33   34   36   37   40   48   53   59   63   69   71 
LCS_GDT     K   165_A     K   165_A     14   21   38     10   12   15   17   21   25   27   30   33   33   34   36   37   41   54   56   59   66   69   71 
LCS_GDT     L   166_A     L   166_A     14   21   38     10   12   15   17   21   25   27   30   33   33   35   42   48   54   62   65   66   72   75   79 
LCS_GDT     V   167_A     V   167_A     14   21   38     10   12   15   17   21   25   27   30   33   33   35   42   48   54   61   65   66   72   75   79 
LCS_GDT     Q   168_A     Q   168_A     14   21   38     10   12   15   17   21   25   27   30   33   33   34   36   42   48   54   58   62   66   69   71 
LCS_GDT     D   169_A     D   169_A     14   21   38     10   12   15   18   21   25   27   30   33   33   35   42   48   54   61   65   66   72   75   79 
LCS_GDT     G   170_A     G   170_A     16   21   38     10   12   16   18   21   25   27   30   33   34   41   46   50   59   63   65   68   72   75   79 
LCS_GDT     H   171_A     H   171_A     16   21   38     10   15   16   18   21   25   28   32   35   39   44   46   51   59   63   65   68   72   75   79 
LCS_GDT     I   172_A     I   172_A     16   21   38      6   15   16   18   21   25   28   32   35   39   44   46   51   59   63   65   68   72   75   79 
LCS_GDT     D   173_A     D   173_A     16   21   38     10   15   16   18   21   25   28   32   35   39   44   46   51   59   63   65   68   72   75   79 
LCS_GDT     E   174_A     E   174_A     16   21   38     10   15   16   18   21   25   28   32   35   39   44   46   51   59   63   65   68   72   75   79 
LCS_GDT     T   175_A     T   175_A     16   21   38     10   15   16   18   21   24   28   32   35   39   44   46   51   59   63   65   68   72   75   79 
LCS_GDT     V   176_A     V   176_A     16   21   38     10   15   16   18   21   25   28   32   35   39   44   46   51   59   63   65   68   72   75   79 
LCS_GDT     Y   177_A     Y   177_A     16   21   38     10   15   16   18   21   25   28   32   35   39   44   46   51   59   63   65   68   72   75   79 
LCS_GDT     R   178_A     R   178_A     16   21   38     10   15   16   18   21   25   28   32   35   39   44   46   51   59   63   65   68   72   75   79 
LCS_GDT     A   179_A     A   179_A     16   21   38     10   15   16   18   21   25   28   32   35   39   44   46   51   59   63   65   68   72   75   79 
LCS_GDT     L   180_A     L   180_A     16   21   38     10   15   16   18   21   25   28   32   35   39   44   46   51   59   63   65   68   72   75   79 
LCS_GDT     D   181_A     D   181_A     16   21   38     10   15   16   18   21   25   28   32   35   39   44   46   51   59   63   65   68   72   75   79 
LCS_GDT     E   182_A     E   182_A     16   21   38     10   15   16   18   21   25   28   32   35   39   44   46   51   59   63   65   68   72   75   79 
LCS_GDT     M   183_A     M   183_A     16   21   38     10   15   16   18   21   25   28   32   35   39   44   46   51   59   63   65   68   72   75   79 
LCS_GDT     A   184_A     A   184_A     16   21   38     10   15   16   18   21   25   28   32   35   39   44   46   51   59   63   65   68   72   75   79 
LCS_GDT     A   185_A     A   185_A     16   21   38     10   15   16   18   21   25   28   32   35   39   44   46   51   59   63   65   68   72   75   79 
LCS_GDT     G   186_A     G   186_A     16   21   38      0    3   12   15   21   25   28   32   35   39   44   46   51   59   63   65   68   72   75   79 
LCS_GDT     A   187_A     A   187_A      0   17   38      0    1    3    5    7   12   15   20   27   36   44   46   51   59   63   65   68   72   75   79 
LCS_AVERAGE  LCS_A:  24.12  (  14.70   21.01   36.66 )

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     16     29     33     35     37     40     41     42     44     45     47     48     51     59     63     65     68     72     75     79 
GDT PERCENT_AT  12.70  23.02  26.19  27.78  29.37  31.75  32.54  33.33  34.92  35.71  37.30  38.10  40.48  46.83  50.00  51.59  53.97  57.14  59.52  62.70
GDT RMS_LOCAL    7.91   0.59   0.79   0.96   1.14   1.44   1.57   1.65   2.08   2.28   2.82   3.09   4.17   4.67   4.89   5.02   5.26   5.60   5.86   6.21
GDT RMS_ALL_AT  20.62  20.52  20.08  19.81  20.14  19.70  19.77  19.65  19.07  19.33  18.59  18.19  13.73  13.73  13.73  13.73  13.73  13.78  13.78  13.77

# Checking swapping
#   possible swapping detected:  E    69_A      E    69_A
#   possible swapping detected:  D    73_A      D    73_A
#   possible swapping detected:  Y    82_A      Y    82_A
#   possible swapping detected:  E    86_A      E    86_A
#   possible swapping detected:  D   118_A      D   118_A
#   possible swapping detected:  D   125_A      D   125_A
#   possible swapping detected:  Y   129_A      Y   129_A
#   possible swapping detected:  D   169_A      D   169_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    R    59_A      R    59_A    26.882     6    0.065   0.085    28.713    0.000    0.000
LGA    R    60_A      R    60_A    24.454     6    0.205   0.197    25.803    0.000    0.000
LGA    V    61_A      V    61_A    25.165     0    0.578   0.617    27.235    0.000    0.000
LGA    K    62_A      K    62_A    24.431     0    0.632   0.940    28.311    0.000    0.000
LGA    L    63_A      L    63_A    26.749     0    0.605   0.508    32.556    0.000    0.000
LGA    R    64_A      R    64_A    27.623     6    0.567   0.574    27.979    0.000    0.000
LGA    K    65_A      K    65_A    29.150     0    0.031   0.813    40.243    0.000    0.000
LGA    H    66_A      H    66_A    25.761     0    0.184   1.245    27.824    0.000    0.000
LGA    L    67_A      L    67_A    20.583     0    0.614   0.597    22.799    0.000    0.000
LGA    V    68_A      V    68_A    17.896     0    0.620   0.888    20.015    0.000    0.000
LGA    E    69_A      E    69_A    11.779     0    0.631   1.147    14.601    0.119    0.053
LGA    I    70_A      I    70_A     9.140     0    0.586   0.684    15.461    8.333    4.167
LGA    N    71_A      N    71_A     8.631     0    0.609   0.607    13.981    2.738    1.369
LGA    A    72_A      A    72_A     6.914     0    0.566   0.536     7.062   12.500   15.238
LGA    D    73_A      D    73_A     8.105     0    0.333   1.034     9.245    4.762    5.714
LGA    E    74_A      E    74_A     9.774     0    0.124   0.895    13.600    1.190    0.529
LGA    I    75_A      I    75_A     8.028     0    0.594   1.398     9.650    4.286   12.560
LGA    T    76_A      T    76_A     6.460     0    0.652   1.022     7.681   16.429   13.741
LGA    I    77_A      I    77_A     4.219     0    0.596   0.708     8.404   38.810   26.012
LGA    T    78_A      T    78_A     3.302     0    0.629   1.001     5.952   53.571   44.286
LGA    L    79_A      L    79_A     2.731     0    0.664   0.690     4.896   50.714   53.036
LGA    S    80_A      S    80_A     2.985     0    0.681   0.594     5.743   64.881   51.190
LGA    R    81_A      R    81_A     3.522     0    0.512   1.418     9.905   42.381   24.589
LGA    Y    82_A      Y    82_A     0.802     0    0.312   0.364     1.999   85.952   84.603
LGA    T    83_A      T    83_A     1.551     0    0.102   1.051     2.516   75.000   68.435
LGA    S    84_A      S    84_A     1.610     0    0.033   0.097     1.691   75.000   75.714
LGA    P    85_A      P    85_A     1.633     0    0.020   0.089     1.930   72.857   74.082
LGA    E    86_A      E    86_A     1.462     0    0.038   1.336     7.443   79.286   53.545
LGA    A    87_A      A    87_A     0.971     0    0.045   0.042     1.091   85.952   86.857
LGA    L    88_A      L    88_A     1.036     0    0.125   0.167     1.730   85.952   82.619
LGA    E    89_A      E    89_A     0.770     0    0.055   0.199     0.933   90.476   90.476
LGA    R    90_A      R    90_A     0.835     0    0.018   1.254     6.357   90.476   68.095
LGA    S    91_A      S    91_A     1.014     0    0.050   0.064     1.566   88.214   84.524
LGA    I    92_A      I    92_A     0.454     0    0.072   0.600     2.386   95.238   89.702
LGA    T    93_A      T    93_A     0.634     0    0.030   0.066     0.938   92.857   93.197
LGA    A    94_A      A    94_A     0.782     0    0.055   0.064     0.915   90.476   90.476
LGA    L    95_A      L    95_A     0.232     0    0.042   1.406     3.465  100.000   85.833
LGA    A    96_A      A    96_A     0.904     0    0.042   0.078     1.300   85.952   86.857
LGA    A    97_A      A    97_A     1.438     0    0.107   0.130     1.719   79.286   78.000
LGA    M    98_A      M    98_A     0.669     0    0.053   1.121     3.757   95.238   81.548
LGA    T    99_A      T    99_A     0.753     0    0.069   0.086     1.406   88.333   89.252
LGA    G   100_A      G   100_A     1.440     0    0.173   0.173     2.358   79.524   79.524
LGA    H   101_A      H   101_A     0.563     5    0.017   0.042     0.669   92.857   46.190
LGA    A   102_A      A   102_A     0.560     0    0.053   0.086     0.730   92.857   92.381
LGA    P   103_A      P   103_A     0.813     0    0.068   0.071     0.903   90.476   90.476
LGA    S   104_A      S   104_A     0.904     0    0.050   0.677     2.838   90.476   84.921
LGA    S   105_A      S   105_A     0.813     0    0.079   0.199     0.965   90.476   90.476
LGA    I   106_A      I   106_A     0.655     0    0.032   0.120     0.981   90.476   90.476
LGA    K   107_A      K   107_A     0.901     0    0.033   0.292     1.426   90.476   88.466
LGA    E   108_A      E   108_A     0.865     3    0.013   0.681     2.589   90.476   56.614
LGA    E   109_A      E   109_A     0.457     0    0.054   0.841     4.189   92.857   79.524
LGA    C   110_A      C   110_A     0.664     0    0.032   0.069     0.797   90.476   90.476
LGA    V   111_A      V   111_A     0.872     0    0.033   0.095     1.216   90.476   87.891
LGA    E   112_A      E   112_A     0.393     0    0.067   0.934     4.640   95.238   79.153
LGA    L   113_A      L   113_A     0.617     0    0.035   1.464     3.653   88.214   74.583
LGA    I   114_A      I   114_A     1.200     0    0.090   0.110     1.939   81.548   79.345
LGA    D   115_A      D   115_A     1.383     0    0.136   0.874     1.845   77.143   79.345
LGA    K   116_A      K   116_A     1.990     2    0.274   0.638     2.501   68.810   52.222
LGA    L   117_A      L   117_A     2.802     0    0.632   0.650     3.818   53.690   55.417
LGA    D   118_A      D   118_A     3.570     0    0.617   1.249     6.905   30.952   28.631
LGA    W   119_A      W   119_A    10.576     0    0.651   1.113    15.970    1.786    0.510
LGA    L   120_A      L   120_A    12.900     0    0.698   0.567    16.717    0.000    0.000
LGA    R   121_A      R   121_A    10.077     0    0.319   1.189    10.977    0.000   17.056
LGA    V   122_A      V   122_A    13.633     0    0.193   0.204    18.008    0.000    0.000
LGA    E   123_A      E   123_A     8.228     4    0.632   0.637    10.295   14.762    6.878
LGA    N   124_A      N   124_A     5.534     0    0.163   0.235     6.993   15.357   28.571
LGA    D   125_A      D   125_A    10.851     0    0.223   1.003    16.333    0.357    0.179
LGA    V   126_A      V   126_A    12.084     0    0.047   0.073    16.020    0.000    0.000
LGA    I   127_A      I   127_A    16.421     0    0.040   0.682    19.064    0.000    0.000
LGA    Q   128_A      Q   128_A    20.742     0    0.060   1.263    26.968    0.000    0.000
LGA    Y   129_A      Y   129_A    21.226     0    0.021   1.571    23.674    0.000    0.000
LGA    P   130_A      P   130_A    28.408     0    0.026   0.060    30.473    0.000    0.000
LGA    T   131_A      T   131_A    27.123     0    0.040   0.180    27.490    0.000    0.000
LGA    L   132_A      L   132_A    22.430     0    0.054   0.197    24.837    0.000    0.000
LGA    S   133_A      S   133_A    26.313     0    0.074   0.653    29.880    0.000    0.000
LGA    K   134_A      K   134_A    33.035     4    0.089   0.087    34.971    0.000    0.000
LGA    L   135_A      L   135_A    31.240     0    0.014   1.355    32.734    0.000    0.000
LGA    L   136_A      L   136_A    29.041     0    0.034   1.283    32.568    0.000    0.000
LGA    E   137_A      E   137_A    34.988     4    0.069   0.073    38.609    0.000    0.000
LGA    L   138_A      L   138_A    39.622     3    0.036   0.036    41.852    0.000    0.000
LGA    Y   139_A      Y   139_A    37.591     0    0.021   0.287    40.146    0.000    0.000
LGA    N   140_A      N   140_A    37.384     0    0.044   0.148    41.316    0.000    0.000
LGA    S   141_A      S   141_A    43.955     0    0.216   0.733    48.295    0.000    0.000
LGA    Q   142_A      Q   142_A    47.158     4    0.104   0.100    48.335    0.000    0.000
LGA    N   143_A      N   143_A    44.989     3    0.024   0.031    45.301    0.000    0.000
LGA    H   147_A      H   147_A    34.529     0    0.644   1.046    36.062    0.000    0.000
LGA    L   148_A      L   148_A    29.696     0    0.605   1.338    31.809    0.000    0.000
LGA    S   149_A      S   149_A    24.994     0    0.641   0.903    26.772    0.000    0.000
LGA    I   150_A      I   150_A    21.271     0    0.053   1.267    23.907    0.000    0.000
LGA    E   151_A      E   151_A    16.576     0    0.060   0.921    19.043    0.000    0.000
LGA    K   152_A      K   152_A    19.535     0    0.064   1.045    22.996    0.000    0.000
LGA    L   153_A      L   153_A    20.986     0    0.029   1.415    26.538    0.000    0.000
LGA    I   154_A      I   154_A    15.612     0    0.024   0.064    17.482    0.000    0.000
LGA    A   155_A      A   155_A    13.533     0    0.032   0.037    14.614    0.000    0.000
LGA    G   156_A      G   156_A    17.889     0    0.060   0.060    17.889    0.000    0.000
LGA    L   157_A      L   157_A    18.487     0    0.043   0.986    23.542    0.000    0.000
LGA    A   158_A      A   158_A    13.695     0    0.159   0.157    15.218    0.000    0.000
LGA    V   159_A      V   159_A    14.405     0    0.354   1.287    15.636    0.000    0.000
LGA    R   160_A      R   160_A    18.906     0    0.550   1.508    20.503    0.000    0.000
LGA    R   161_A      R   161_A    20.047     0    0.146   0.946    25.769    0.000    0.000
LGA    K   162_A      K   162_A    19.319     0    0.220   0.628    24.225    0.000    0.000
LGA    V   163_A      V   163_A    19.599     0    0.020   0.183    20.157    0.000    0.000
LGA    C   164_A      C   164_A    20.456     0    0.068   0.068    21.492    0.000    0.000
LGA    K   165_A      K   165_A    20.481     0    0.059   0.673    21.482    0.000    0.000
LGA    L   166_A      L   166_A    21.257     0    0.097   0.187    23.310    0.000    0.000
LGA    V   167_A      V   167_A    23.147     0    0.043   0.103    24.888    0.000    0.000
LGA    Q   168_A      Q   168_A    23.929     0    0.045   1.338    25.742    0.000    0.000
LGA    D   169_A      D   169_A    24.067     0    0.030   1.064    25.711    0.000    0.000
LGA    G   170_A      G   170_A    26.723     0    0.041   0.041    27.547    0.000    0.000
LGA    H   171_A      H   171_A    25.265     0    0.232   1.036    25.313    0.000    0.000
LGA    I   172_A      I   172_A    26.550     0    0.069   0.269    29.079    0.000    0.000
LGA    D   173_A      D   173_A    28.782     0    0.066   0.239    28.996    0.000    0.000
LGA    E   174_A      E   174_A    30.222     4    0.032   0.030    31.788    0.000    0.000
LGA    T   175_A      T   175_A    27.425     0    0.009   0.164    28.426    0.000    0.000
LGA    V   176_A      V   176_A    24.596     0    0.049   0.128    25.695    0.000    0.000
LGA    Y   177_A      Y   177_A    26.973     7    0.019   0.039    28.656    0.000    0.000
LGA    R   178_A      R   178_A    27.643     0    0.054   1.249    28.897    0.000    0.000
LGA    A   179_A      A   179_A    23.630     0    0.038   0.045    25.001    0.000    0.000
LGA    L   180_A      L   180_A    22.884     0    0.030   1.415    23.960    0.000    0.000
LGA    D   181_A      D   181_A    26.031     0    0.039   0.098    29.196    0.000    0.000
LGA    E   182_A      E   182_A    25.115     0    0.040   0.197    27.633    0.000    0.000
LGA    M   183_A      M   183_A    21.579     0    0.096   1.222    22.724    0.000    0.000
LGA    A   184_A      A   184_A    23.054     0    0.027   0.036    24.014    0.000    0.000
LGA    A   185_A      A   185_A    25.896     0    0.641   0.600    27.078    0.000    0.000
LGA    G   186_A      G   186_A    25.444     0    0.679   0.679    26.864    0.000    0.000
LGA    A   187_A      A   187_A    23.789     0    0.587   0.598    23.789    0.000    0.000

# 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):    13.378         13.359                 13.590           27.516   25.362

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  187  126    4.0     42    1.65    33.929    30.471     2.402

LGA_LOCAL      RMSD:   1.648  Number of atoms:   42  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  19.654  Number of assigned atoms:  126 
Std_ASGN_ATOMS RMSD:  13.378  Standard rmsd on all 126 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.057252 * X  +  -0.237064 * Y  +  -0.969806 * Z  +   2.432609
  Y_new =   0.708723 * X  +  -0.674521 * Y  +   0.206722 * Z  +  23.260233
  Z_new =  -0.703160 * X  +  -0.699158 * Y  +   0.129395 * Z  +  55.650200 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.490189  0.779832 -1.387794   [DEG:   85.3816   44.6811  -79.5148 ]
ZXZ: -1.780812  1.441037 -2.353341   [DEG: -102.0330   82.5654 -134.8365 ]
 
# END of job
