
#######################################################
#                                                     #
#                        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:    58      69_A - 126_A       4.80    19.11
  LONGEST_CONTINUOUS_SEGMENT:    58      70_A - 127_A       4.85    18.79
  LCS_AVERAGE:     36.46

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    43      76_A - 118_A       1.87    19.92
  LCS_AVERAGE:     20.98

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    36      81_A - 116_A       0.99    19.58
  LONGEST_CONTINUOUS_SEGMENT:    36      82_A - 117_A       0.91    19.63
  LCS_AVERAGE:     15.33

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    6   11   13   13   15   18   20   22   22   24   26   29   31   33   37   38   42   42 
LCS_GDT     R    60_A     R    60_A      3    4   10      3    3    3    5    5    5    8   18   20   22   23   24   28   30   32   40   41   41   42   42 
LCS_GDT     V    61_A     V    61_A      3    4   10      3    3    3    5   17   20   22   24   26   27   32   33   35   38   39   40   41   41   42   44 
LCS_GDT     K    62_A     K    62_A      3    4   10      3    4    4   16   17   19   22   24   26   27   30   32   35   38   39   40   41   41   45   46 
LCS_GDT     L    63_A     L    63_A      3    3   13      3    4    4    4    4   19   22   23   26   27   30   32   35   38   39   40   41   41   42   42 
LCS_GDT     R    64_A     R    64_A      4    5   13      3    4    4    5   16   18   22   23   26   27   30   32   35   38   39   40   41   41   42   42 
LCS_GDT     K    65_A     K    65_A      4    5   13      3    4    4    5    5    6    8    8   22   25   30   30   31   37   38   40   41   41   42   42 
LCS_GDT     H    66_A     H    66_A      4    5   13      3    4    4    5    5   19   20   23   26   29   35   35   35   38   39   40   41   41   42   42 
LCS_GDT     L    67_A     L    67_A      4    5   13      3    4    5    9   15   19   23   25   27   33   35   35   35   38   39   40   41   41   45   46 
LCS_GDT     V    68_A     V    68_A      3    5   54      1    4    4    7    9   19   22   26   33   33   35   35   35   38   39   40   41   41   45   48 
LCS_GDT     E    69_A     E    69_A      3    3   58      3    5    7   12   17   19   20   21   23   27   33   36   42   45   49   52   56   60   66   70 
LCS_GDT     I    70_A     I    70_A      3    3   58      3    4    4    5    7   18   20   27   27   33   42   43   46   49   52   53   55   57   59   62 
LCS_GDT     N    71_A     N    71_A      3    4   58      3    4    4    8   11   18   24   27   28   34   42   44   46   49   52   53   55   57   59   61 
LCS_GDT     A    72_A     A    72_A      4    5   58      3    4    4    8   10   13   14   20   30   40   44   46   48   51   52   53   55   57   61   68 
LCS_GDT     D    73_A     D    73_A      4    5   58      3    4    4    5    5    6    7   14   18   21   43   46   48   50   51   53   54   56   57   58 
LCS_GDT     E    74_A     E    74_A      4    5   58      3    4    4    5    5    5    7   12   14   21   25   29   45   49   51   53   54   55   57   58 
LCS_GDT     I    75_A     I    75_A      4    5   58      3    4    4    5    5    6    7   14   19   26   43   46   48   50   51   53   55   56   58   60 
LCS_GDT     T    76_A     T    76_A      3   43   58      1    4    4    5    5    5    7   14   20   39   44   46   48   51   52   53   55   57   61   68 
LCS_GDT     I    77_A     I    77_A      3   43   58      1    3    5    5   13   32   38   41   42   44   45   47   49   51   52   53   57   61   64   74 
LCS_GDT     T    78_A     T    78_A      3   43   58      1    4   26   34   36   39   40   42   42   44   45   47   49   51   52   53   55   57   64   74 
LCS_GDT     L    79_A     L    79_A      3   43   58      1    5   29   34   37   39   40   42   42   44   45   47   49   54   61   63   65   68   71   75 
LCS_GDT     S    80_A     S    80_A      3   43   58      1   19   19   23   37   39   40   42   42   44   45   48   52   58   61   63   65   68   71   75 
LCS_GDT     R    81_A     R    81_A     36   43   58     11   19   19   28   35   39   40   42   42   44   45   48   52   58   61   63   65   68   71   75 
LCS_GDT     Y    82_A     Y    82_A     36   43   58      1   18   33   35   37   39   40   42   42   44   45   48   52   58   61   63   65   68   71   75 
LCS_GDT     T    83_A     T    83_A     36   43   58      4   18   31   35   37   39   40   42   42   44   45   47   51   55   61   63   65   68   71   75 
LCS_GDT     S    84_A     S    84_A     36   43   58     15   30   33   35   37   39   40   42   42   44   45   48   52   58   61   63   65   68   71   75 
LCS_GDT     P    85_A     P    85_A     36   43   58     21   30   33   35   37   39   40   42   42   44   45   48   52   58   61   63   65   68   71   75 
LCS_GDT     E    86_A     E    86_A     36   43   58     21   30   33   35   37   39   40   42   42   44   45   48   52   58   61   63   65   68   71   75 
LCS_GDT     A    87_A     A    87_A     36   43   58     21   30   33   35   37   39   40   42   42   44   45   48   52   58   61   63   65   68   71   75 
LCS_GDT     L    88_A     L    88_A     36   43   58     21   30   33   35   37   39   40   42   42   44   45   48   52   58   61   63   65   68   71   75 
LCS_GDT     E    89_A     E    89_A     36   43   58     21   30   33   35   37   39   40   42   42   44   45   48   52   58   61   63   65   68   71   75 
LCS_GDT     R    90_A     R    90_A     36   43   58     21   30   33   35   37   39   40   42   42   44   45   48   52   58   61   63   65   68   71   75 
LCS_GDT     S    91_A     S    91_A     36   43   58     21   30   33   35   37   39   40   42   42   44   45   48   52   58   61   63   65   68   71   75 
LCS_GDT     I    92_A     I    92_A     36   43   58     21   30   33   35   37   39   40   42   42   44   45   48   52   58   61   63   65   68   71   75 
LCS_GDT     T    93_A     T    93_A     36   43   58     15   30   33   35   37   39   40   42   42   44   45   48   52   58   61   63   65   68   71   75 
LCS_GDT     A    94_A     A    94_A     36   43   58     18   30   33   35   37   39   40   42   42   44   45   48   52   58   61   63   65   68   71   75 
LCS_GDT     L    95_A     L    95_A     36   43   58     21   30   33   35   37   39   40   42   42   44   45   47   52   58   61   63   65   68   71   75 
LCS_GDT     A    96_A     A    96_A     36   43   58     21   30   33   35   37   39   40   42   42   44   45   47   49   58   61   63   65   68   71   75 
LCS_GDT     A    97_A     A    97_A     36   43   58     21   30   33   35   37   39   40   42   42   44   45   47   50   58   61   63   65   68   71   75 
LCS_GDT     M    98_A     M    98_A     36   43   58     21   30   33   35   37   39   40   42   42   44   45   47   49   51   52   56   62   66   71   75 
LCS_GDT     T    99_A     T    99_A     36   43   58     19   30   33   35   37   39   40   42   42   44   45   47   49   51   52   53   58   62   64   74 
LCS_GDT     G   100_A     G   100_A     36   43   58     10   30   33   35   37   39   40   42   42   44   45   47   49   51   52   53   58   62   64   66 
LCS_GDT     H   101_A     H   101_A     36   43   58     19   30   33   35   37   39   40   42   42   44   45   47   49   51   52   53   58   62   65   74 
LCS_GDT     A   102_A     A   102_A     36   43   58     21   30   33   35   37   39   40   42   42   44   45   47   49   51   52   53   58   62   70   75 
LCS_GDT     P   103_A     P   103_A     36   43   58     21   30   33   35   37   39   40   42   42   44   45   47   52   58   61   63   65   68   71   75 
LCS_GDT     S   104_A     S   104_A     36   43   58     21   30   33   35   37   39   40   42   42   44   45   47   49   51   57   63   65   68   71   75 
LCS_GDT     S   105_A     S   105_A     36   43   58     21   30   33   35   37   39   40   42   42   44   45   47   49   51   52   56   64   67   71   75 
LCS_GDT     I   106_A     I   106_A     36   43   58     21   30   33   35   37   39   40   42   42   44   45   47   52   58   61   63   65   68   71   75 
LCS_GDT     K   107_A     K   107_A     36   43   58     21   30   33   35   37   39   40   42   42   44   45   47   52   58   61   63   65   68   71   75 
LCS_GDT     E   108_A     E   108_A     36   43   58     21   30   33   35   37   39   40   42   42   44   45   47   52   58   61   63   65   68   71   75 
LCS_GDT     E   109_A     E   109_A     36   43   58     21   30   33   35   37   39   40   42   42   44   45   47   52   58   61   63   65   68   71   75 
LCS_GDT     C   110_A     C   110_A     36   43   58     21   30   33   35   37   39   40   42   42   44   45   48   52   58   61   63   65   68   71   75 
LCS_GDT     V   111_A     V   111_A     36   43   58     20   30   33   35   37   39   40   42   42   44   45   48   52   58   61   63   65   68   71   75 
LCS_GDT     E   112_A     E   112_A     36   43   58     20   30   33   35   37   39   40   42   42   44   45   48   52   58   61   63   65   68   71   75 
LCS_GDT     L   113_A     L   113_A     36   43   58     18   30   33   35   37   39   40   42   42   44   45   48   52   58   61   63   65   68   71   75 
LCS_GDT     I   114_A     I   114_A     36   43   58     12   29   33   35   37   39   40   42   42   44   45   48   52   58   61   63   65   68   71   75 
LCS_GDT     D   115_A     D   115_A     36   43   58     12   29   33   35   37   39   40   42   42   44   45   48   52   58   61   63   65   68   71   75 
LCS_GDT     K   116_A     K   116_A     36   43   58      7   26   33   35   37   39   40   42   42   44   45   48   52   58   61   63   65   68   71   75 
LCS_GDT     L   117_A     L   117_A     36   43   58      4   18   32   35   37   39   40   42   42   44   45   48   52   58   61   63   65   68   71   75 
LCS_GDT     D   118_A     D   118_A     35   43   58      1    3   16   35   37   39   40   42   42   44   45   48   52   58   61   63   65   68   71   75 
LCS_GDT     W   119_A     W   119_A      3   41   58      3    3    3    4    7   12   17   20   37   42   45   47   52   54   61   63   65   68   71   75 
LCS_GDT     L   120_A     L   120_A      3   24   58      3    4    7   13   17   21   25   28   31   39   45   47   52   58   61   63   65   68   71   75 
LCS_GDT     R   121_A     R   121_A     14   24   58      5   10   14   19   22   24   26   34   40   44   45   48   52   58   61   63   65   68   71   75 
LCS_GDT     V   122_A     V   122_A     14   24   58      5   10   14   19   22   24   26   28   29   30   32   43   47   49   51   59   62   65   68   70 
LCS_GDT     E   123_A     E   123_A     14   24   58      5   10   14   19   22   24   26   40   42   44   45   46   49   51   52   60   62   65   68   74 
LCS_GDT     N   124_A     N   124_A     14   24   58      5   10   14   19   24   34   37   42   42   44   45   48   52   58   61   63   65   68   71   75 
LCS_GDT     D   125_A     D   125_A     14   24   58      5   10   14   19   22   24   26   32   38   42   44   48   52   58   61   63   65   68   71   75 
LCS_GDT     V   126_A     V   126_A     14   24   58      5   10   14   19   22   24   26   34   38   42   44   48   52   58   61   63   65   68   71   75 
LCS_GDT     I   127_A     I   127_A     17   24   58      5   10   15   19   22   24   26   28   29   31   40   47   52   58   61   63   65   68   71   75 
LCS_GDT     Q   128_A     Q   128_A     17   24   57      5   13   16   19   22   24   26   28   29   30   32   36   41   51   57   63   64   67   71   75 
LCS_GDT     Y   129_A     Y   129_A     17   24   54      9   15   16   19   22   24   26   28   29   30   32   35   40   44   51   58   63   65   69   72 
LCS_GDT     P   130_A     P   130_A     17   24   43      7   15   16   19   22   24   26   28   29   30   32   34   36   38   41   47   49   52   57   61 
LCS_GDT     T   131_A     T   131_A     17   24   37      6   15   16   19   22   24   26   28   29   30   32   34   36   38   41   47   54   59   62   68 
LCS_GDT     L   132_A     L   132_A     17   24   37      9   15   16   19   22   24   26   28   29   30   32   34   36   42   48   54   59   64   68   70 
LCS_GDT     S   133_A     S   133_A     17   24   36      9   15   16   19   22   24   26   28   29   30   32   34   36   38   41   47   49   54   58   63 
LCS_GDT     K   134_A     K   134_A     17   24   36      9   15   16   19   22   24   26   28   29   30   32   34   36   38   39   41   44   46   50   52 
LCS_GDT     L   135_A     L   135_A     17   24   36      9   15   16   19   22   24   26   28   29   30   32   34   36   38   39   41   44   46   50   53 
LCS_GDT     L   136_A     L   136_A     17   24   36      9   15   16   19   22   24   26   28   29   30   32   34   36   38   39   41   44   46   50   52 
LCS_GDT     E   137_A     E   137_A     17   24   35      9   15   16   19   22   24   26   28   29   30   32   34   36   38   39   41   44   46   49   51 
LCS_GDT     L   138_A     L   138_A     17   24   35      9   15   16   19   22   24   26   28   29   30   32   34   36   38   39   41   44   45   47   50 
LCS_GDT     Y   139_A     Y   139_A     17   24   35      9   15   16   19   22   24   26   28   29   30   32   34   36   38   39   41   44   45   47   50 
LCS_GDT     N   140_A     N   140_A     17   24   35      9   15   16   19   22   24   26   28   29   30   32   34   36   38   39   41   44   45   47   50 
LCS_GDT     S   141_A     S   141_A     17   24   35      9   15   16   18   22   24   26   28   29   30   32   34   36   38   39   41   44   45   47   50 
LCS_GDT     Q   142_A     Q   142_A     17   24   35      7   15   16   17   21   23   26   27   29   30   31   33   35   38   39   41   44   45   46   49 
LCS_GDT     N   143_A     N   143_A     17   24   35      7   15   16   19   22   24   26   28   29   30   32   34   36   38   39   41   44   45   47   49 
LCS_GDT     H   147_A     H   147_A      3   24   35      4    8   13   15   17   22   24   27   29   30   32   34   36   38   39   41   44   46   50   61 
LCS_GDT     L   148_A     L   148_A     14   19   35      3    9   13   13   14   18   21   27   28   29   31   33   35   38   44   52   56   59   68   70 
LCS_GDT     S   149_A     S   149_A     14   15   39      3   12   13   13   14   16   22   26   28   30   32   34   37   38   47   52   56   60   68   70 
LCS_GDT     I   150_A     I   150_A     14   15   39      7   12   13   13   14   15   16   18   22   25   28   33   37   45   48   55   59   63   68   70 
LCS_GDT     E   151_A     E   151_A     14   15   39      8   12   13   13   16   19   23   26   29   35   42   48   52   57   61   63   65   68   71   75 
LCS_GDT     K   152_A     K   152_A     14   15   39      8   12   13   13   14   18   23   26   33   37   43   48   52   58   61   63   65   68   71   75 
LCS_GDT     L   153_A     L   153_A     14   15   39      8   12   13   13   14   15   18   20   22   25   30   37   48   52   56   60   65   68   71   75 
LCS_GDT     I   154_A     I   154_A     14   15   39      8   12   13   13   17   19   20   25   29   35   43   48   52   58   61   63   65   68   71   75 
LCS_GDT     A   155_A     A   155_A     14   15   39      8   12   17   19   19   23   30   34   38   42   43   48   52   58   61   63   65   68   71   75 
LCS_GDT     G   156_A     G   156_A     14   15   39      8   12   13   13   21   24   27   30   33   35   43   48   52   58   61   63   65   68   71   75 
LCS_GDT     L   157_A     L   157_A     14   15   39      8   12   13   13   14   17   27   30   33   33   35   35   39   42   45   52   65   67   71   75 
LCS_GDT     A   158_A     A   158_A     14   15   39      8   12   13   16   21   24   27   30   33   33   35   35   39   42   47   59   65   68   71   75 
LCS_GDT     V   159_A     V   159_A     14   16   39      7   12   13   13   14   15   22   30   33   33   35   35   39   43   45   50   58   67   70   75 
LCS_GDT     R   160_A     R   160_A     14   20   39     10   13   14   16   18   20   23   30   33   33   35   35   35   38   45   48   52   57   59   62 
LCS_GDT     R   161_A     R   161_A     14   20   39     11   13   14   16   18   20   23   30   33   33   35   35   35   38   39   40   48   53   55   62 
LCS_GDT     K   162_A     K   162_A     14   20   39     11   13   14   16   18   21   26   30   33   33   35   35   35   40   45   48   56   58   62   66 
LCS_GDT     V   163_A     V   163_A     14   20   39     11   13   14   16   19   24   27   30   33   33   35   38   41   45   53   59   65   68   71   75 
LCS_GDT     C   164_A     C   164_A     14   20   39     11   13   14   16   18   24   27   30   33   33   35   35   39   42   47   52   56   60   62   66 
LCS_GDT     K   165_A     K   165_A     14   20   39     11   13   14   16   19   24   27   30   33   33   35   35   39   45   47   54   56   60   62   66 
LCS_GDT     L   166_A     L   166_A     14   20   39     11   13   14   16   20   24   27   30   33   33   35   45   46   48   53   59   65   68   70   75 
LCS_GDT     V   167_A     V   167_A     14   21   39     11   13   14   16   21   24   27   30   33   33   35   45   46   48   53   59   65   68   70   75 
LCS_GDT     Q   168_A     Q   168_A     14   21   39     11   13   14   16   20   24   27   30   33   33   35   35   39   45   47   54   56   65   66   68 
LCS_GDT     D   169_A     D   169_A     14   21   39     11   13   14   16   21   24   27   30   33   33   38   45   46   48   53   59   65   67   70   73 
LCS_GDT     G   170_A     G   170_A     14   21   39     11   13   14   19   21   24   27   30   33   34   38   45   49   51   56   60   65   68   71   75 
LCS_GDT     H   171_A     H   171_A     17   21   39     11   13   17   20   24   25   30   32   37   42   43   48   52   58   61   63   65   68   71   75 
LCS_GDT     I   172_A     I   172_A     17   21   39     12   19   19   22   24   25   30   34   38   42   43   48   52   58   61   63   65   68   71   75 
LCS_GDT     D   173_A     D   173_A     17   21   39     12   19   19   22   24   25   30   34   38   42   43   48   52   58   61   63   65   68   71   75 
LCS_GDT     E   174_A     E   174_A     17   21   39     12   19   19   22   24   25   30   34   38   42   43   48   52   58   61   63   65   68   71   75 
LCS_GDT     T   175_A     T   175_A     17   21   39     12   19   19   22   24   25   30   34   38   42   43   48   52   58   61   63   65   68   71   75 
LCS_GDT     V   176_A     V   176_A     17   21   39     12   19   19   22   24   25   30   34   38   42   43   48   52   58   61   63   65   68   71   75 
LCS_GDT     Y   177_A     Y   177_A     17   21   39     12   19   19   22   24   25   30   34   38   42   43   48   52   58   61   63   65   68   71   75 
LCS_GDT     R   178_A     R   178_A     17   21   39     12   19   19   22   24   25   30   34   38   42   43   48   52   58   61   63   65   68   71   75 
LCS_GDT     A   179_A     A   179_A     17   21   39     12   19   19   22   24   25   30   34   38   42   43   48   52   58   61   63   65   68   71   75 
LCS_GDT     L   180_A     L   180_A     17   21   39     12   19   19   22   24   25   30   34   38   42   43   48   52   58   61   63   65   68   71   75 
LCS_GDT     D   181_A     D   181_A     17   21   39     11   19   19   22   24   25   30   34   38   42   43   48   52   58   61   63   65   68   71   75 
LCS_GDT     E   182_A     E   182_A     17   21   39     10   19   19   22   24   25   30   34   38   42   43   48   52   58   61   63   65   68   71   75 
LCS_GDT     M   183_A     M   183_A     17   21   39     12   19   19   22   24   25   30   34   38   42   43   48   52   58   61   63   65   68   71   75 
LCS_GDT     A   184_A     A   184_A     17   21   39     12   19   19   22   24   25   30   34   38   42   43   48   52   58   61   63   65   68   71   75 
LCS_GDT     A   185_A     A   185_A     17   21   39     12   19   19   22   24   25   30   34   38   42   43   48   52   58   61   63   65   68   71   75 
LCS_GDT     G   186_A     G   186_A     17   21   39     12   19   19   22   24   25   30   34   38   42   43   48   52   58   61   63   65   68   71   75 
LCS_GDT     A   187_A     A   187_A     17   21   39      0   10   18   22   24   25   30   34   38   42   43   48   52   58   61   63   65   68   71   75 
LCS_AVERAGE  LCS_A:  24.26  (  15.33   20.98   36.46 )

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     21     30     33     35     37     39     40     42     42     44     45     48     52     58     61     63     65     68     71     75 
GDT PERCENT_AT  16.67  23.81  26.19  27.78  29.37  30.95  31.75  33.33  33.33  34.92  35.71  38.10  41.27  46.03  48.41  50.00  51.59  53.97  56.35  59.52
GDT RMS_LOCAL    0.31   0.50   0.69   0.82   0.99   1.20   1.31   1.67   1.59   2.09   2.36   3.66   4.03   4.58   4.74   4.87   5.08   5.42   5.66   5.99
GDT RMS_ALL_AT  20.18  20.22  19.90  19.80  19.77  19.56  19.40  19.22  19.75  19.18  18.91  14.17  14.11  14.03  14.03  14.02  14.05  14.11  14.02  14.07

# Checking swapping
#   possible swapping detected:  E    69_A      E    69_A
#   possible swapping detected:  D    73_A      D    73_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:  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    27.957     6    0.072   0.099    29.498    0.000    0.000
LGA    R    60_A      R    60_A    25.091     6    0.198   0.191    26.552    0.000    0.000
LGA    V    61_A      V    61_A    25.262     0    0.583   0.626    26.805    0.000    0.000
LGA    K    62_A      K    62_A    24.691     0    0.630   0.945    28.004    0.000    0.000
LGA    L    63_A      L    63_A    27.270     0    0.611   0.520    33.178    0.000    0.000
LGA    R    64_A      R    64_A    28.345     6    0.594   0.587    28.825    0.000    0.000
LGA    K    65_A      K    65_A    29.180     0    0.064   0.803    32.160    0.000    0.000
LGA    H    66_A      H    66_A    25.243     0    0.188   1.152    27.223    0.000    0.000
LGA    L    67_A      L    67_A    20.919     0    0.622   0.589    22.916    0.000    0.000
LGA    V    68_A      V    68_A    18.444     0    0.611   0.956    20.567    0.000    0.000
LGA    E    69_A      E    69_A    12.095     0    0.610   0.924    14.834    0.000    0.000
LGA    I    70_A      I    70_A    10.405     0    0.601   0.686    16.040    2.143    1.071
LGA    N    71_A      N    71_A    10.937     0    0.614   0.609    16.408    0.000    0.000
LGA    A    72_A      A    72_A     8.685     0    0.563   0.543     8.749    2.857    4.952
LGA    D    73_A      D    73_A     9.607     0    0.299   1.071    10.332    0.833    0.655
LGA    E    74_A      E    74_A    11.233     0    0.120   0.817    14.973    0.000    0.000
LGA    I    75_A      I    75_A     9.700     0    0.590   0.963    10.966    0.476    0.952
LGA    T    76_A      T    76_A     7.063     0    0.642   0.994     7.498   11.786   11.497
LGA    I    77_A      I    77_A     4.969     0    0.642   1.265     8.949   28.929   20.536
LGA    T    78_A      T    78_A     4.311     0    0.571   0.543     6.352   40.238   32.245
LGA    L    79_A      L    79_A     2.895     0    0.652   0.762     5.116   48.929   43.274
LGA    S    80_A      S    80_A     2.773     0    0.667   0.582     5.500   62.976   50.794
LGA    R    81_A      R    81_A     3.127     0    0.145   1.243    15.015   57.262   25.022
LGA    Y    82_A      Y    82_A     1.463     0    0.690   1.359     8.901   69.405   47.897
LGA    T    83_A      T    83_A     2.460     0    0.094   0.140     4.278   70.833   57.279
LGA    S    84_A      S    84_A     1.656     0    0.065   0.157     1.865   75.000   75.714
LGA    P    85_A      P    85_A     1.248     0    0.018   0.092     1.351   81.429   82.721
LGA    E    86_A      E    86_A     1.177     0    0.030   1.311     7.032   81.429   56.984
LGA    A    87_A      A    87_A     1.023     0    0.044   0.040     1.133   83.690   83.238
LGA    L    88_A      L    88_A     0.817     0    0.066   0.115     0.969   90.476   90.476
LGA    E    89_A      E    89_A     0.515     0    0.060   0.226     0.855   90.476   90.476
LGA    R    90_A      R    90_A     0.552     0    0.024   1.217     5.749   92.857   72.684
LGA    S    91_A      S    91_A     0.534     0    0.023   0.666     1.751   95.238   90.714
LGA    I    92_A      I    92_A     0.158     0    0.069   0.138     0.651  100.000   97.619
LGA    T    93_A      T    93_A     0.639     0    0.027   0.059     0.765   90.476   91.837
LGA    A    94_A      A    94_A     0.578     0    0.054   0.062     0.600   95.238   94.286
LGA    L    95_A      L    95_A     0.337     0    0.030   0.094     0.668   97.619   95.238
LGA    A    96_A      A    96_A     0.702     0    0.042   0.067     1.005   90.595   90.571
LGA    A    97_A      A    97_A     0.680     0    0.071   0.094     0.755   90.476   90.476
LGA    M    98_A      M    98_A     0.673     0    0.035   0.824     3.181   88.333   85.536
LGA    T    99_A      T    99_A     1.519     0    0.038   0.073     2.021   72.976   76.599
LGA    G   100_A      G   100_A     1.895     0    0.038   0.038     1.905   72.857   72.857
LGA    H   101_A      H   101_A     1.463     5    0.027   0.045     1.652   79.286   39.857
LGA    A   102_A      A   102_A     0.825     0    0.062   0.097     0.948   90.476   90.476
LGA    P   103_A      P   103_A     0.572     0    0.072   0.073     0.864   95.238   94.558
LGA    S   104_A      S   104_A     0.440     0    0.050   0.677     1.997   97.619   92.302
LGA    S   105_A      S   105_A     0.646     0    0.077   0.197     0.883   90.476   90.476
LGA    I   106_A      I   106_A     0.449     0    0.031   0.098     0.715   97.619   95.238
LGA    K   107_A      K   107_A     0.241     0    0.031   0.538     2.482  100.000   92.011
LGA    E   108_A      E   108_A     0.442     3    0.012   0.680     2.241   95.238   59.577
LGA    E   109_A      E   109_A     0.566     0    0.056   0.551     1.978   92.857   86.614
LGA    C   110_A      C   110_A     0.671     0    0.024   0.073     0.949   90.476   90.476
LGA    V   111_A      V   111_A     0.577     0    0.018   0.098     0.813   95.238   93.197
LGA    E   112_A      E   112_A     0.562     0    0.055   0.597     3.273   92.857   83.069
LGA    L   113_A      L   113_A     0.458     0    0.030   1.478     3.734   95.238   76.905
LGA    I   114_A      I   114_A     0.851     0    0.076   0.096     1.276   90.476   85.952
LGA    D   115_A      D   115_A     0.796     0    0.140   0.882     2.425   90.476   83.929
LGA    K   116_A      K   116_A     1.233     2    0.239   0.247     1.681   79.286   61.429
LGA    L   117_A      L   117_A     1.712     0    0.619   0.645     2.543   68.929   70.893
LGA    D   118_A      D   118_A     3.178     0    0.611   1.234     6.443   35.833   28.690
LGA    W   119_A      W   119_A     9.503     0    0.602   1.091    15.408    3.095    1.020
LGA    L   120_A      L   120_A    11.395     0    0.681   0.565    15.844    0.000    0.000
LGA    R   121_A      R   121_A     8.630     0    0.649   1.084     9.589    1.667   10.736
LGA    V   122_A      V   122_A    12.861     0    0.186   0.175    16.805    0.000    0.000
LGA    E   123_A      E   123_A     7.721     4    0.277   0.282     9.540   20.952    9.630
LGA    N   124_A      N   124_A     5.120     0    0.031   1.243     8.618   14.405   25.833
LGA    D   125_A      D   125_A    12.061     0    0.242   1.096    18.289    0.357    0.179
LGA    V   126_A      V   126_A    11.605     0    0.063   0.093    15.372    0.000    0.204
LGA    I   127_A      I   127_A    15.888     0    0.039   0.689    18.541    0.000    0.000
LGA    Q   128_A      Q   128_A    18.608     0    0.028   1.010    20.584    0.000    0.000
LGA    Y   129_A      Y   129_A    19.804     0    0.085   1.163    22.318    0.000    0.000
LGA    P   130_A      P   130_A    26.991     0    0.030   0.354    28.990    0.000    0.000
LGA    T   131_A      T   131_A    25.911     0    0.047   0.121    26.373    0.000    0.000
LGA    L   132_A      L   132_A    21.461     0    0.048   0.185    24.077    0.000    0.000
LGA    S   133_A      S   133_A    25.453     0    0.051   0.656    29.194    0.000    0.000
LGA    K   134_A      K   134_A    32.106     4    0.091   0.089    34.172    0.000    0.000
LGA    L   135_A      L   135_A    30.461     0    0.029   1.355    32.160    0.000    0.000
LGA    L   136_A      L   136_A    28.530     0    0.038   1.275    32.164    0.000    0.000
LGA    E   137_A      E   137_A    34.516     4    0.057   0.058    38.164    0.000    0.000
LGA    L   138_A      L   138_A    38.954     3    0.021   0.024    41.279    0.000    0.000
LGA    Y   139_A      Y   139_A    37.114     0    0.076   1.306    39.554    0.000    0.000
LGA    N   140_A      N   140_A    37.016     0    0.042   0.119    40.953    0.000    0.000
LGA    S   141_A      S   141_A    43.652     0    0.249   0.751    47.897    0.000    0.000
LGA    Q   142_A      Q   142_A    46.666     4    0.166   0.160    47.924    0.000    0.000
LGA    N   143_A      N   143_A    44.292     3    0.229   0.225    44.699    0.000    0.000
LGA    H   147_A      H   147_A    33.863     0    0.606   0.460    35.395    0.000    0.000
LGA    L   148_A      L   148_A    28.601     0    0.601   0.590    30.901    0.000    0.000
LGA    S   149_A      S   149_A    24.775     0    0.166   0.665    26.344    0.000    0.000
LGA    I   150_A      I   150_A    20.256     0    0.058   1.065    22.175    0.000    0.000
LGA    E   151_A      E   151_A    16.128     0    0.059   0.895    19.427    0.000    0.000
LGA    K   152_A      K   152_A    18.642     0    0.041   1.119    21.304    0.000    0.000
LGA    L   153_A      L   153_A    19.980     0    0.034   1.430    25.771    0.000    0.000
LGA    I   154_A      I   154_A    14.564     0    0.022   0.071    16.484    0.000    0.000
LGA    A   155_A      A   155_A    12.337     0    0.047   0.055    13.366    0.000    0.000
LGA    G   156_A      G   156_A    16.536     0    0.047   0.047    16.573    0.000    0.000
LGA    L   157_A      L   157_A    17.409     0    0.048   0.139    21.736    0.000    0.000
LGA    A   158_A      A   158_A    12.513     0    0.175   0.183    13.989    0.000    0.000
LGA    V   159_A      V   159_A    13.420     0    0.335   1.267    15.071    0.000    0.000
LGA    R   160_A      R   160_A    18.690     0    0.556   1.556    20.318    0.000    0.000
LGA    R   161_A      R   161_A    19.795     0    0.054   1.003    27.302    0.000    0.000
LGA    K   162_A      K   162_A    18.923     0    0.088   0.932    19.810    0.000    0.000
LGA    V   163_A      V   163_A    19.085     0    0.016   0.140    19.955    0.000    0.000
LGA    C   164_A      C   164_A    20.588     0    0.027   0.034    21.863    0.000    0.000
LGA    K   165_A      K   165_A    20.950     0    0.051   0.515    21.748    0.000    0.000
LGA    L   166_A      L   166_A    20.832     0    0.095   0.159    22.911    0.000    0.000
LGA    V   167_A      V   167_A    22.976     0    0.030   0.074    24.922    0.000    0.000
LGA    Q   168_A      Q   168_A    24.526     0    0.045   1.341    26.565    0.000    0.000
LGA    D   169_A      D   169_A    24.506     0    0.027   1.051    25.792    0.000    0.000
LGA    G   170_A      G   170_A    26.456     0    0.044   0.044    26.843    0.000    0.000
LGA    H   171_A      H   171_A    24.420     0    0.317   1.046    24.764    0.000    0.000
LGA    I   172_A      I   172_A    25.233     0    0.102   0.280    27.654    0.000    0.000
LGA    D   173_A      D   173_A    27.320     0    0.064   0.250    27.509    0.000    0.000
LGA    E   174_A      E   174_A    28.594     4    0.049   0.052    29.924    0.000    0.000
LGA    T   175_A      T   175_A    26.017     0    0.016   0.150    26.931    0.000    0.000
LGA    V   176_A      V   176_A    23.547     0    0.063   0.153    24.498    0.000    0.000
LGA    Y   177_A      Y   177_A    25.523     7    0.021   0.043    27.014    0.000    0.000
LGA    R   178_A      R   178_A    26.248     0    0.053   1.377    28.906    0.000    0.000
LGA    A   179_A      A   179_A    22.670     0    0.052   0.056    23.896    0.000    0.000
LGA    L   180_A      L   180_A    21.938     0    0.035   1.402    22.953    0.000    0.000
LGA    D   181_A      D   181_A    24.901     0    0.046   0.104    27.479    0.000    0.000
LGA    E   182_A      E   182_A    24.288     0    0.031   0.193    26.302    0.000    0.000
LGA    M   183_A      M   183_A    21.219     0    0.046   1.129    22.227    0.000    0.000
LGA    A   184_A      A   184_A    22.612     0    0.043   0.057    23.705    0.000    0.000
LGA    A   185_A      A   185_A    25.267     0    0.208   0.234    26.293    0.000    0.000
LGA    G   186_A      G   186_A    23.002     0    0.599   0.599    23.933    0.000    0.000
LGA    A   187_A      A   187_A    19.320     0    0.606   0.606    20.103    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):    13.686         13.667                 13.748           27.809   25.377

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  187  126    4.0     42    1.67    33.730    30.125     2.374

LGA_LOCAL      RMSD:   1.669  Number of atoms:   42  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  19.219  Number of assigned atoms:  126 
Std_ASGN_ATOMS RMSD:  13.686  Standard rmsd on all 126 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.956455 * X  +   0.219282 * Y  +   0.192636 * Z  +  -6.261700
  Y_new =  -0.129065 * X  +  -0.909696 * Y  +   0.394709 * Z  +  18.236338
  Z_new =   0.261793 * X  +   0.352659 * Y  +   0.898385 * Z  +  56.426437 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -3.007462 -0.264879  0.374065   [DEG: -172.3149  -15.1765   21.4324 ]
ZXZ:  2.687554  0.454717  0.638581   [DEG:  153.9855   26.0534   36.5880 ]
 
# END of job
