
#######################################################
#                                                     #
#                        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:    36     152_A - 187_A       4.74    28.80
  LCS_AVERAGE:     25.71

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    19      82_A - 100_A       1.87    29.81
  LONGEST_CONTINUOUS_SEGMENT:    19     169_A - 187_A       1.77    27.51
  LCS_AVERAGE:     11.35

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    18     170_A - 187_A       0.93    25.76
  LCS_AVERAGE:      8.55

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    5   11      3    3    3    4    5    5    5    7    9   12   16   20   22   26   29   30   33   36   42   47 
LCS_GDT     R    60_A     R    60_A      3    5   11      3    3    4    5    6    6    8   10   12   15   18   19   22   26   29   30   33   40   44   50 
LCS_GDT     V    61_A     V    61_A      3    5   11      3    3    4    5    6    7    8   10   12   15   17   20   23   28   31   37   45   47   52   56 
LCS_GDT     K    62_A     K    62_A      3    5   11      3    3    4    5    6    6    7    8   12   19   24   25   29   33   39   43   45   48   54   57 
LCS_GDT     L    63_A     L    63_A      3    5   15      1    4    4    4    6    8   10   16   17   20   24   29   32   33   39   43   45   48   54   57 
LCS_GDT     R    64_A     R    64_A      4    5   15      4    4    4    5    6    8   10   13   17   20   24   29   32   33   39   43   45   48   54   57 
LCS_GDT     K    65_A     K    65_A      4    5   15      4    4    4    5    5    5    6    8   12   12   17   18   23   29   35   37   40   45   47   49 
LCS_GDT     H    66_A     H    66_A      4    5   15      4    4    4    5    5    5    6    8   12   12   15   16   18   20   23   25   31   35   39   42 
LCS_GDT     L    67_A     L    67_A      4    5   15      4    4    4    5    6    6    7    8   12   14   17   20   26   29   35   37   42   45   47   49 
LCS_GDT     V    68_A     V    68_A      3    5   15      1    3    4    5    5    5    7    9   14   17   22   25   29   33   39   43   45   48   54   57 
LCS_GDT     E    69_A     E    69_A      3    4   32      3    3    3    4    5    6    8    8   12   15   22   25   29   33   39   43   45   48   54   57 
LCS_GDT     I    70_A     I    70_A      3    6   33      3    4    4    4    5    6    8   11   16   20   25   29   32   34   39   43   45   48   54   57 
LCS_GDT     N    71_A     N    71_A      4    7   33      3    5    5    7    8   14   20   24   24   24   27   29   32   34   39   43   45   48   54   57 
LCS_GDT     A    72_A     A    72_A      4    7   33      3    5    5    7    8   11   17   19   21   24   25   29   32   34   39   43   45   48   54   57 
LCS_GDT     D    73_A     D    73_A      4   10   33      3    3    5    7   10   14   17   22   26   28   28   29   32   34   39   43   45   48   54   57 
LCS_GDT     E    74_A     E    74_A      4   10   33      3    3    5    7    9   13   20   23   25   28   28   29   32   33   39   43   45   47   54   56 
LCS_GDT     I    75_A     I    75_A      5   10   33      3    4    7   12   18   22   25   25   26   28   28   29   32   33   39   43   45   48   54   57 
LCS_GDT     T    76_A     T    76_A      5   10   33      3    4    9   14   22   23   25   25   26   28   28   29   32   34   39   43   45   48   54   57 
LCS_GDT     I    77_A     I    77_A      5   10   33      4    4   11   19   22   23   25   25   26   28   28   29   32   34   39   43   45   48   54   57 
LCS_GDT     T    78_A     T    78_A      5   10   33      4    8   15   19   22   23   25   25   26   28   28   29   32   34   39   43   45   48   54   57 
LCS_GDT     L    79_A     L    79_A      5   10   33      4    4    7   16   22   23   25   25   26   28   28   29   32   34   39   43   45   48   54   57 
LCS_GDT     S    80_A     S    80_A      5   10   33      4    4    7    8   13   23   25   25   26   28   28   29   32   34   36   40   44   48   54   57 
LCS_GDT     R    81_A     R    81_A      5   10   33      3    4    7    8    9   18   25   25   26   28   28   29   32   34   36   40   44   48   54   57 
LCS_GDT     Y    82_A     Y    82_A      3   19   33      3    4    9   16   22   23   25   25   26   28   28   29   32   34   36   38   40   44   50   51 
LCS_GDT     T    83_A     T    83_A      3   19   33      3    3    4    4    4    6    8   17   26   28   28   29   30   32   36   38   41   43   47   51 
LCS_GDT     S    84_A     S    84_A     17   19   33      9   15   17   19   22   23   25   25   26   28   28   29   32   34   39   43   45   47   50   51 
LCS_GDT     P    85_A     P    85_A     17   19   33     10   15   17   19   22   23   25   25   26   28   28   29   32   34   39   43   45   47   50   51 
LCS_GDT     E    86_A     E    86_A     17   19   33     11   15   17   19   22   23   25   25   26   28   28   29   32   34   36   38   40   47   49   49 
LCS_GDT     A    87_A     A    87_A     17   19   33     11   15   17   19   22   23   25   25   26   28   28   29   32   34   36   43   45   47   49   49 
LCS_GDT     L    88_A     L    88_A     17   19   33     11   15   17   19   22   23   25   25   26   28   28   29   32   34   39   43   45   47   50   51 
LCS_GDT     E    89_A     E    89_A     17   19   33     11   15   17   19   22   23   25   25   26   28   28   29   32   34   36   38   40   42   44   47 
LCS_GDT     R    90_A     R    90_A     17   19   33     11   15   17   19   22   23   25   25   26   28   28   29   32   34   36   38   40   42   44   47 
LCS_GDT     S    91_A     S    91_A     17   19   33     11   15   17   19   22   23   25   25   26   28   28   29   32   34   36   38   40   42   49   49 
LCS_GDT     I    92_A     I    92_A     17   19   33     11   15   17   19   22   23   25   25   26   28   28   29   32   34   36   38   40   42   44   47 
LCS_GDT     T    93_A     T    93_A     17   19   33     11   15   17   19   22   23   25   25   26   28   28   29   32   34   36   38   40   42   44   47 
LCS_GDT     A    94_A     A    94_A     17   19   33     11   15   17   19   22   23   25   25   26   28   28   29   32   34   36   38   40   42   44   47 
LCS_GDT     L    95_A     L    95_A     17   19   33     11   15   17   19   22   23   25   25   26   28   28   29   32   34   36   38   40   42   44   47 
LCS_GDT     A    96_A     A    96_A     17   19   33     11   15   17   19   22   23   25   25   26   28   28   29   32   34   36   38   40   42   44   46 
LCS_GDT     A    97_A     A    97_A     17   19   33     11   15   17   19   22   23   25   25   26   28   28   29   32   34   36   38   40   42   44   46 
LCS_GDT     M    98_A     M    98_A     17   19   33      5   15   17   19   22   23   25   25   26   28   28   29   32   34   36   38   40   42   44   47 
LCS_GDT     T    99_A     T    99_A     17   19   33      3   15   17   19   22   23   25   25   26   28   28   29   32   34   36   38   40   42   44   46 
LCS_GDT     G   100_A     G   100_A     17   19   33      3    8   17   19   22   23   25   25   26   28   28   29   32   34   36   38   40   42   44   46 
LCS_GDT     H   101_A     H   101_A      9   18   33      3    7    9   12   13   16   16   16   21   24   27   29   32   34   36   38   40   42   44   47 
LCS_GDT     A   102_A     A   102_A      9   15   33      3    4    8   12   13   16   16   17   18   21   24   29   32   34   36   38   40   42   44   47 
LCS_GDT     P   103_A     P   103_A      9   16   33      3    8   10   12   14   16   16   17   18   23   26   27   29   30   33   35   36   39   43   47 
LCS_GDT     S   104_A     S   104_A      9   16   30      4    8   10   12   14   16   16   17   18   23   26   27   29   30   33   35   36   39   43   47 
LCS_GDT     S   105_A     S   105_A      9   16   30      4    8   10   12   14   16   16   17   18   20   26   27   29   32   35   37   40   42   44   47 
LCS_GDT     I   106_A     I   106_A      9   16   30      4    8   10   12   14   16   16   17   18   23   26   29   32   34   36   38   40   42   44   47 
LCS_GDT     K   107_A     K   107_A      9   16   30      4    8   10   12   14   16   16   17   18   23   26   27   29   30   33   35   36   39   43   47 
LCS_GDT     E   108_A     E   108_A      9   16   30      4    8   10   12   14   16   16   17   18   23   26   27   29   30   35   36   37   40   43   47 
LCS_GDT     E   109_A     E   109_A      9   16   30      4    8   10   12   14   16   16   17   18   23   26   27   32   34   36   38   40   42   46   51 
LCS_GDT     C   110_A     C   110_A      9   16   30      4    8   10   12   14   16   16   17   18   23   26   29   32   34   36   38   40   42   46   52 
LCS_GDT     V   111_A     V   111_A      9   16   30      6    8   10   12   14   16   16   17   18   23   26   27   32   34   36   38   40   42   46   51 
LCS_GDT     E   112_A     E   112_A      8   16   30      6    8    9   12   14   16   17   18   19   23   27   29   32   34   36   38   40   42   46   52 
LCS_GDT     L   113_A     L   113_A      8   16   30      6    8   10   12   14   16   16   17   18   23   27   29   32   34   36   38   40   42   48   52 
LCS_GDT     I   114_A     I   114_A      8   16   30      6    8    9   12   14   16   16   17   18   23   26   27   29   34   36   38   40   42   46   52 
LCS_GDT     D   115_A     D   115_A      8   16   30      6    8    9   12   14   16   16   17   18   23   26   29   32   34   36   38   40   42   46   50 
LCS_GDT     K   116_A     K   116_A      8   16   30      6    8    9   12   14   16   16   17   18   23   26   27   31   34   36   38   40   42   46   52 
LCS_GDT     L   117_A     L   117_A      8   16   30      4    8    9   10   13   15   16   17   18   23   26   27   29   30   33   35   40   43   52   56 
LCS_GDT     D   118_A     D   118_A      3   16   30      1    4    4    9   12   13   16   17   17   20   26   27   29   33   34   36   40   42   46   52 
LCS_GDT     W   119_A     W   119_A      3   13   34      1    4    7   11   14   18   21   22   24   28   30   32   33   35   36   36   40   45   53   57 
LCS_GDT     L   120_A     L   120_A      3    3   34      1    3    4   14   17   17   20   22   23   26   29   31   33   35   36   36   44   48   54   57 
LCS_GDT     R   121_A     R   121_A      3    4   35      3    3   10   12   13   15   21   23   25   28   30   32   33   35   36   36   42   48   54   57 
LCS_GDT     V   122_A     V   122_A      4    5   35      3    9   17   20   21   22   24   26   27   28   30   32   33   35   36   36   40   43   48   52 
LCS_GDT     E   123_A     E   123_A      4    5   35      3    3   16   20   21   22   23   26   27   28   30   32   33   35   36   36   40   42   46   52 
LCS_GDT     N   124_A     N   124_A      4    5   35      3    3    4    7   15   17   17   23   25   28   30   32   33   35   36   36   40   44   53   56 
LCS_GDT     D   125_A     D   125_A      4    5   35      3    3    4    5    8   17   17   21   25   27   30   32   33   35   36   38   44   48   54   57 
LCS_GDT     V   126_A     V   126_A      3   18   35      3    5    5   11   15   17   17   20   24   26   29   31   33   35   36   40   44   48   54   57 
LCS_GDT     I   127_A     I   127_A      3   18   35      3    4    7    9   15   16   18   19   24   24   29   30   33   35   39   43   45   48   54   57 
LCS_GDT     Q   128_A     Q   128_A     16   18   35      4    8   15   16   17   17   18   19   24   26   29   31   33   35   39   43   45   48   54   57 
LCS_GDT     Y   129_A     Y   129_A     16   18   35      7   13   15   16   17   17   18   19   22   26   29   31   33   35   39   43   45   48   54   57 
LCS_GDT     P   130_A     P   130_A     16   18   35      6   14   15   16   17   17   18   20   24   26   29   31   33   35   39   43   45   47   50   51 
LCS_GDT     T   131_A     T   131_A     16   18   35      8   14   15   16   17   17   18   20   24   26   29   31   33   35   39   43   45   47   50   51 
LCS_GDT     L   132_A     L   132_A     16   18   35      8   14   15   16   17   17   18   20   24   26   29   31   33   35   39   43   45   48   54   57 
LCS_GDT     S   133_A     S   133_A     16   18   35      8   14   15   16   17   17   18   20   24   26   29   31   33   35   38   43   45   47   50   51 
LCS_GDT     K   134_A     K   134_A     16   18   35      8   14   15   16   17   17   18   20   24   26   29   31   33   35   36   37   38   42   43   48 
LCS_GDT     L   135_A     L   135_A     16   18   35      8   14   15   16   17   17   18   20   24   26   29   31   33   35   36   37   41   45   47   49 
LCS_GDT     L   136_A     L   136_A     16   18   35      8   14   15   16   17   17   18   19   24   26   29   31   33   35   39   43   45   47   54   57 
LCS_GDT     E   137_A     E   137_A     16   18   35      8   14   15   16   17   17   18   20   24   26   29   31   33   35   36   36   38   41   43   45 
LCS_GDT     L   138_A     L   138_A     16   18   35      8   14   15   16   17   17   18   20   24   26   29   31   33   35   36   36   38   39   40   42 
LCS_GDT     Y   139_A     Y   139_A     16   18   35      8   14   15   16   17   17   18   20   24   26   29   31   33   35   36   36   38   39   43   48 
LCS_GDT     N   140_A     N   140_A     16   18   35      6   14   15   16   17   17   18   20   24   26   29   31   33   35   36   36   38   41   46   49 
LCS_GDT     S   141_A     S   141_A     16   18   35      5   14   15   16   17   17   18   20   24   26   29   31   33   35   36   36   38   39   40   42 
LCS_GDT     Q   142_A     Q   142_A     16   18   35      5   14   15   16   17   17   18   20   24   26   29   31   33   35   36   36   38   39   40   42 
LCS_GDT     N   143_A     N   143_A     16   18   35      5   14   15   16   17   17   18   19   24   25   29   31   33   35   36   36   38   41   44   52 
LCS_GDT     H   147_A     H   147_A      3    3   35      0    2    3    6    7    9   13   17   20   23   29   31   33   35   36   37   42   46   54   57 
LCS_GDT     L   148_A     L   148_A      3   11   35      0    3    3    6    7   12   13   14   17   22   29   31   33   35   36   38   44   48   54   57 
LCS_GDT     S   149_A     S   149_A     10   11   35      8   10   11   12   12   13   14   14   19   21   24   28   30   32   35   38   44   48   54   57 
LCS_GDT     I   150_A     I   150_A     10   11   35      8   10   11   12   12   13   14   14   18   20   22   26   30   32   34   37   42   48   54   57 
LCS_GDT     E   151_A     E   151_A     10   11   35      8   10   11   12   12   13   14   14   19   20   24   28   31   35   36   36   40   46   53   57 
LCS_GDT     K   152_A     K   152_A     10   11   36      8   10   11   12   12   13   19   19   23   28   30   32   33   35   36   36   40   43   50   57 
LCS_GDT     L   153_A     L   153_A     10   11   36      8   10   11   12   12   13   14   16   17   23   29   31   33   35   36   36   40   48   54   57 
LCS_GDT     I   154_A     I   154_A     10   11   36      8   10   11   12   12   17   19   20   23   28   30   32   33   35   36   36   40   48   54   57 
LCS_GDT     A   155_A     A   155_A     10   11   36      8   10   11   12   19   22   22   26   27   29   30   32   33   35   36   36   38   41   45   49 
LCS_GDT     G   156_A     G   156_A     10   11   36      8   10   11   12   12   13   16   19   22   26   29   32   33   35   36   36   38   40   45   49 
LCS_GDT     L   157_A     L   157_A     10   11   36      8   10   11   12   12   13   14   17   22   24   29   31   33   35   36   36   38   40   45   48 
LCS_GDT     A   158_A     A   158_A     10   11   36      8   10   12   20   21   22   24   26   27   29   30   32   33   35   36   36   38   40   43   44 
LCS_GDT     V   159_A     V   159_A      4   13   36      3    4    5    6    7   22   24   27   28   29   30   32   33   34   35   36   38   40   45   48 
LCS_GDT     R   160_A     R   160_A     10   14   36     10   11   13   15   16   19   24   27   28   29   30   32   32   33   35   36   37   39   45   49 
LCS_GDT     R   161_A     R   161_A     10   14   36     10   11   13   15   16   19   23   25   28   29   30   31   32   33   35   36   37   39   45   48 
LCS_GDT     K   162_A     K   162_A     10   14   36     10   11   13   15   16   19   23   27   28   29   30   32   32   34   35   36   37   39   45   48 
LCS_GDT     V   163_A     V   163_A     10   14   36     10   11   13   15   17   22   24   27   28   29   30   32   33   34   35   38   44   48   54   57 
LCS_GDT     C   164_A     C   164_A     10   14   36     10   11   13   15   16   20   24   27   28   29   30   32   32   34   35   37   44   48   53   57 
LCS_GDT     K   165_A     K   165_A     10   14   36     10   11   13   15   16   20   24   27   28   29   30   32   32   34   35   37   44   48   54   57 
LCS_GDT     L   166_A     L   166_A     10   14   36     10   11   13   15   17   22   24   27   28   29   30   32   33   34   35   40   44   48   54   57 
LCS_GDT     V   167_A     V   167_A     10   14   36     10   11   13   15   16   22   24   27   28   29   30   32   33   34   35   43   45   48   54   57 
LCS_GDT     Q   168_A     Q   168_A     10   14   36     10   11   13   15   15   19   24   27   28   29   30   32   32   34   35   40   44   48   54   57 
LCS_GDT     D   169_A     D   169_A     10   19   36     10   11   13   15   17   22   24   27   28   29   30   32   33   34   35   40   44   48   54   57 
LCS_GDT     G   170_A     G   170_A     18   19   36      4   11   17   20   21   22   24   26   27   29   30   32   33   34   39   43   45   48   54   57 
LCS_GDT     H   171_A     H   171_A     18   19   36      4   15   17   20   21   22   24   27   28   29   30   32   33   34   39   43   45   47   54   57 
LCS_GDT     I   172_A     I   172_A     18   19   36      5   11   17   20   21   22   24   27   28   29   30   32   33   34   39   43   45   47   54   57 
LCS_GDT     D   173_A     D   173_A     18   19   36     10   15   17   20   21   22   24   27   28   29   30   32   33   34   39   43   45   47   51   56 
LCS_GDT     E   174_A     E   174_A     18   19   36      6   15   17   20   21   22   24   27   28   29   30   32   33   34   39   43   45   47   54   57 
LCS_GDT     T   175_A     T   175_A     18   19   36      6   15   17   20   21   22   24   27   28   29   30   32   33   34   39   43   44   47   54   57 
LCS_GDT     V   176_A     V   176_A     18   19   36      8   15   17   20   21   22   24   27   28   29   30   32   33   34   39   43   45   48   54   57 
LCS_GDT     Y   177_A     Y   177_A     18   19   36     10   15   17   20   21   22   24   27   28   29   30   32   33   34   39   43   45   48   54   57 
LCS_GDT     R   178_A     R   178_A     18   19   36     10   15   17   20   21   22   24   27   28   29   30   32   33   34   39   43   45   48   54   57 
LCS_GDT     A   179_A     A   179_A     18   19   36     10   15   17   20   21   22   24   27   28   29   30   32   33   34   39   43   45   48   54   57 
LCS_GDT     L   180_A     L   180_A     18   19   36     10   15   17   20   21   22   24   27   28   29   30   32   33   34   39   43   45   48   54   57 
LCS_GDT     D   181_A     D   181_A     18   19   36     10   15   17   20   21   22   24   27   28   29   30   32   33   34   39   43   45   48   54   57 
LCS_GDT     E   182_A     E   182_A     18   19   36     10   15   17   20   21   22   24   27   28   29   30   32   33   34   39   43   45   48   54   57 
LCS_GDT     M   183_A     M   183_A     18   19   36     10   15   17   20   21   22   24   27   28   29   30   32   33   34   39   43   45   48   54   57 
LCS_GDT     A   184_A     A   184_A     18   19   36     10   15   17   20   21   22   24   27   28   29   30   32   33   34   35   40   45   48   54   57 
LCS_GDT     A   185_A     A   185_A     18   19   36     10   15   17   20   21   22   24   27   28   29   30   32   33   34   36   43   45   48   54   57 
LCS_GDT     G   186_A     G   186_A     18   19   36      4   15   17   20   21   22   24   27   28   29   30   32   33   34   35   43   45   48   54   57 
LCS_GDT     A   187_A     A   187_A     18   19   36      0    0    4   19   21   22   24   27   28   29   30   32   33   34   36   36   38   41   43   45 
LCS_AVERAGE  LCS_A:  15.20  (   8.55   11.35   25.71 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT     11     15     17     20     22     23     25     27     28     29     30     32     33     35     39     43     45     48     54     57 
GDT PERCENT_AT   8.73  11.90  13.49  15.87  17.46  18.25  19.84  21.43  22.22  23.02  23.81  25.40  26.19  27.78  30.95  34.13  35.71  38.10  42.86  45.24
GDT RMS_LOCAL    0.32   0.55   0.71   1.21   1.62   1.74   2.03   2.65   2.76   2.92   3.06   3.36   3.61   4.73   7.36   5.67   5.88   6.79   7.08   7.33
GDT RMS_ALL_AT  30.46  30.49  30.48  27.55  29.23  29.02  28.95  32.28  32.69  31.60  32.05  30.24  24.40  26.50  15.45  15.30  15.18  14.38  14.54  14.46

# Checking swapping
#   possible swapping detected:  Y    82_A      Y    82_A
#   possible swapping detected:  D   115_A      D   115_A
#   possible swapping detected:  Y   129_A      Y   129_A
#   possible swapping detected:  Y   139_A      Y   139_A
#   possible swapping detected:  D   169_A      D   169_A
#   possible swapping detected:  D   173_A      D   173_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    49.514     6    0.052   0.066    51.616    0.000    0.000
LGA    R    60_A      R    60_A    51.404     6    0.151   0.146    53.930    0.000    0.000
LGA    V    61_A      V    61_A    47.258     0    0.269   0.309    48.817    0.000    0.000
LGA    K    62_A      K    62_A    44.972     0    0.596   1.491    45.660    0.000    0.000
LGA    L    63_A      L    63_A    44.580     0    0.630   0.561    50.000    0.000    0.000
LGA    R    64_A      R    64_A    37.764     6    0.582   0.568    40.355    0.000    0.000
LGA    K    65_A      K    65_A    38.065     0    0.089   0.883    40.044    0.000    0.000
LGA    H    66_A      H    66_A    41.381     0    0.138   1.067    42.624    0.000    0.000
LGA    L    67_A      L    67_A    41.023     0    0.620   1.513    41.023    0.000    0.000
LGA    V    68_A      V    68_A    40.169     0    0.620   0.957    41.109    0.000    0.000
LGA    E    69_A      E    69_A    42.475     0    0.652   1.171    44.428    0.000    0.000
LGA    I    70_A      I    70_A    48.662     0    0.629   0.720    52.971    0.000    0.000
LGA    N    71_A      N    71_A    46.937     0    0.145   0.217    47.620    0.000    0.000
LGA    A    72_A      A    72_A    50.454     0    0.175   0.169    51.838    0.000    0.000
LGA    D    73_A      D    73_A    47.901     0    0.267   1.468    49.160    0.000    0.000
LGA    E    74_A      E    74_A    46.320     0    0.629   1.384    49.880    0.000    0.000
LGA    I    75_A      I    75_A    44.168     0    0.456   0.869    44.946    0.000    0.000
LGA    T    76_A      T    76_A    41.535     0    0.055   0.141    44.186    0.000    0.000
LGA    I    77_A      I    77_A    43.162     0    0.504   1.411    43.795    0.000    0.000
LGA    T    78_A      T    78_A    38.961     0    0.087   0.080    41.071    0.000    0.000
LGA    L    79_A      L    79_A    38.088     0    0.418   0.501    41.322    0.000    0.000
LGA    S    80_A      S    80_A    34.198     0    0.132   0.193    36.710    0.000    0.000
LGA    R    81_A      R    81_A    35.692     0    0.709   1.367    38.170    0.000    0.000
LGA    Y    82_A      Y    82_A    38.930     0    0.471   0.408    40.203    0.000    0.000
LGA    T    83_A      T    83_A    43.758     0    0.608   0.968    46.815    0.000    0.000
LGA    S    84_A      S    84_A    46.275     0    0.653   0.745    47.673    0.000    0.000
LGA    P    85_A      P    85_A    46.201     0    0.057   0.605    47.796    0.000    0.000
LGA    E    86_A      E    86_A    50.343     0    0.085   1.337    53.629    0.000    0.000
LGA    A    87_A      A    87_A    48.912     0    0.077   0.090    49.377    0.000    0.000
LGA    L    88_A      L    88_A    45.722     0    0.065   0.819    46.726    0.000    0.000
LGA    E    89_A      E    89_A    48.960     0    0.070   1.023    52.564    0.000    0.000
LGA    R    90_A      R    90_A    51.179     0    0.028   1.524    53.116    0.000    0.000
LGA    S    91_A      S    91_A    47.785     0    0.074   0.070    48.841    0.000    0.000
LGA    I    92_A      I    92_A    47.105     0    0.057   0.147    48.391    0.000    0.000
LGA    T    93_A      T    93_A    50.941     0    0.047   1.131    54.167    0.000    0.000
LGA    A    94_A      A    94_A    50.411     0    0.090   0.097    50.637    0.000    0.000
LGA    L    95_A      L    95_A    47.244     0    0.060   1.428    48.208    0.000    0.000
LGA    A    96_A      A    96_A    49.379     0    0.062   0.080    51.189    0.000    0.000
LGA    A    97_A      A    97_A    52.920     0    0.048   0.048    53.788    0.000    0.000
LGA    M    98_A      M    98_A    51.175     0    0.116   1.127    51.550    0.000    0.000
LGA    T    99_A      T    99_A    48.912     0    0.124   1.187    49.972    0.000    0.000
LGA    G   100_A      G   100_A    51.226     0    0.182   0.182    51.323    0.000    0.000
LGA    H   101_A      H   101_A    52.013     5    0.611   0.619    53.028    0.000    0.000
LGA    A   102_A      A   102_A    53.756     0    0.166   0.177    55.492    0.000    0.000
LGA    P   103_A      P   103_A    50.031     0    0.042   0.064    53.087    0.000    0.000
LGA    S   104_A      S   104_A    53.709     0    0.028   0.033    57.650    0.000    0.000
LGA    S   105_A      S   105_A    52.171     0    0.081   0.184    55.935    0.000    0.000
LGA    I   106_A      I   106_A    45.727     0    0.049   0.082    48.243    0.000    0.000
LGA    K   107_A      K   107_A    43.897     0    0.090   0.374    46.075    0.000    0.000
LGA    E   108_A      E   108_A    46.203     3    0.059   0.077    48.878    0.000    0.000
LGA    E   109_A      E   109_A    44.236     0    0.135   0.962    47.374    0.000    0.000
LGA    C   110_A      C   110_A    38.741     0    0.564   0.568    40.895    0.000    0.000
LGA    V   111_A      V   111_A    37.280     0    0.046   0.135    39.089    0.000    0.000
LGA    E   112_A      E   112_A    36.681     0    0.054   0.650    42.796    0.000    0.000
LGA    L   113_A      L   113_A    34.756     0    0.070   0.109    38.810    0.000    0.000
LGA    I   114_A      I   114_A    30.358     0    0.073   0.086    32.245    0.000    0.000
LGA    D   115_A      D   115_A    29.506     0    0.161   0.638    31.044    0.000    0.000
LGA    K   116_A      K   116_A    28.918     2    0.229   0.226    33.802    0.000    0.000
LGA    L   117_A      L   117_A    26.292     0    0.597   0.653    29.293    0.000    0.000
LGA    D   118_A      D   118_A    20.060     0    0.585   1.332    22.046    0.000    0.000
LGA    W   119_A      W   119_A    19.445     0    0.635   0.585    22.325    0.000    0.000
LGA    L   120_A      L   120_A    18.902     0    0.662   1.396    22.853    0.000    0.000
LGA    R   121_A      R   121_A    14.183     0    0.586   0.961    21.809    0.000    0.000
LGA    V   122_A      V   122_A     8.932     0    0.573   0.542    11.139    1.429    2.245
LGA    E   123_A      E   123_A    11.130     4    0.276   0.350    13.431    0.000    0.000
LGA    N   124_A      N   124_A    15.404     0    0.124   0.116    16.620    0.000    0.000
LGA    D   125_A      D   125_A    15.799     0    0.536   1.023    16.657    0.000    0.000
LGA    V   126_A      V   126_A    20.145     0    0.233   1.124    23.516    0.000    0.000
LGA    I   127_A      I   127_A    21.899     0    0.620   1.033    23.688    0.000    0.000
LGA    Q   128_A      Q   128_A    23.466     0    0.573   0.847    27.652    0.000    0.000
LGA    Y   129_A      Y   129_A    22.766     0    0.054   1.434    24.921    0.000    0.000
LGA    P   130_A      P   130_A    23.525     0    0.091   0.095    25.408    0.000    0.000
LGA    T   131_A      T   131_A    22.658     0    0.064   1.056    23.304    0.000    0.000
LGA    L   132_A      L   132_A    20.287     0    0.087   0.814    21.102    0.000    0.000
LGA    S   133_A      S   133_A    20.430     0    0.028   0.055    22.333    0.000    0.000
LGA    K   134_A      K   134_A    22.080     4    0.074   0.074    23.284    0.000    0.000
LGA    L   135_A      L   135_A    20.074     0    0.071   1.299    20.845    0.000    0.000
LGA    L   136_A      L   136_A    18.099     0    0.061   0.354    18.823    0.000    0.000
LGA    E   137_A      E   137_A    20.105     4    0.134   0.126    21.203    0.000    0.000
LGA    L   138_A      L   138_A    20.973     3    0.045   0.042    21.703    0.000    0.000
LGA    Y   139_A      Y   139_A    18.438     0    0.075   1.284    19.481    0.000    0.000
LGA    N   140_A      N   140_A    17.114     0    0.274   0.268    17.729    0.000    0.000
LGA    S   141_A      S   141_A    20.550     0    0.202   0.248    22.657    0.000    0.000
LGA    Q   142_A      Q   142_A    20.513     4    0.250   0.242    21.008    0.000    0.000
LGA    N   143_A      N   143_A    17.037     3    0.541   0.502    18.499    0.000    0.000
LGA    H   147_A      H   147_A    20.467     0    0.594   1.168    26.178    0.000    0.000
LGA    L   148_A      L   148_A    17.209     0    0.601   0.587    18.607    0.000    0.000
LGA    S   149_A      S   149_A    20.581     0    0.604   0.540    21.809    0.000    0.000
LGA    I   150_A      I   150_A    21.399     0    0.059   1.315    25.833    0.000    0.000
LGA    E   151_A      E   151_A    16.107     0    0.057   1.419    18.440    0.000    0.000
LGA    K   152_A      K   152_A    12.057     0    0.050   0.740    13.606    0.000    0.000
LGA    L   153_A      L   153_A    15.872     0    0.058   1.430    22.187    0.000    0.000
LGA    I   154_A      I   154_A    13.760     0    0.072   0.111    19.516    0.000    0.000
LGA    A   155_A      A   155_A     7.310     0    0.028   0.032     9.977   18.810   17.714
LGA    G   156_A      G   156_A     7.814     0    0.090   0.090     8.520    6.190    6.190
LGA    L   157_A      L   157_A    10.723     0    0.083   0.102    17.467    1.905    0.952
LGA    A   158_A      A   158_A     5.885     0    0.707   0.678     7.581   26.548   22.667
LGA    V   159_A      V   159_A     3.046     0    0.306   1.241     7.103   53.810   41.973
LGA    R   160_A      R   160_A     3.707     0    0.538   1.044     8.172   50.357   33.074
LGA    R   161_A      R   161_A     5.099     0    0.068   1.218     8.509   32.976   19.697
LGA    K   162_A      K   162_A     4.150     0    0.053   0.565     9.789   47.143   27.672
LGA    V   163_A      V   163_A     1.275     0    0.034   0.116     2.181   77.262   79.048
LGA    C   164_A      C   164_A     2.847     0    0.042   0.050     4.502   59.048   51.825
LGA    K   165_A      K   165_A     2.678     0    0.072   0.739     4.444   65.000   52.381
LGA    L   166_A      L   166_A     1.382     0    0.085   0.185     2.644   77.143   71.012
LGA    V   167_A      V   167_A     2.316     0    0.064   0.112     3.826   61.190   58.571
LGA    Q   168_A      Q   168_A     3.148     0    0.048   1.264     5.727   53.571   46.878
LGA    D   169_A      D   169_A     1.680     0    0.510   1.204     4.046   61.548   60.714
LGA    G   170_A      G   170_A     5.891     0    0.297   0.297     6.614   24.881   24.881
LGA    H   171_A      H   171_A     4.018     0    0.179   0.991     6.557   43.929   34.429
LGA    I   172_A      I   172_A     3.053     0    0.435   1.532     6.270   55.714   47.202
LGA    D   173_A      D   173_A     1.001     0    0.175   1.085     3.952   79.286   72.560
LGA    E   174_A      E   174_A     2.994     4    0.112   0.106     4.651   64.881   32.328
LGA    T   175_A      T   175_A     2.551     0    0.026   0.184     4.319   64.881   55.714
LGA    V   176_A      V   176_A     1.610     0    0.071   0.153     2.924   79.286   70.884
LGA    Y   177_A      Y   177_A     2.098     7    0.058   0.057     3.152   72.976   28.492
LGA    R   178_A      R   178_A     2.211     0    0.073   1.018     9.322   70.833   38.225
LGA    A   179_A      A   179_A     2.140     0    0.064   0.067     3.319   70.833   66.667
LGA    L   180_A      L   180_A     2.846     0    0.033   1.434     6.419   59.286   49.762
LGA    D   181_A      D   181_A     2.935     0    0.036   1.306     6.082   62.857   49.881
LGA    E   182_A      E   182_A     1.604     0    0.042   1.050     7.289   83.810   52.540
LGA    M   183_A      M   183_A     2.277     0    0.043   0.917     5.415   67.024   51.607
LGA    A   184_A      A   184_A     3.623     0    0.086   0.094     4.222   46.905   44.952
LGA    A   185_A      A   185_A     2.494     0    0.227   0.270     2.822   66.786   64.857
LGA    G   186_A      G   186_A     1.537     0    0.545   0.545     3.597   67.857   67.857
LGA    A   187_A      A   187_A     2.905     0    0.217   0.301     4.574   65.119   58.381

# 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):    13.484         13.395                 13.911           14.612   11.935

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  187  126    4.0     27    2.65    20.833    18.143     0.980

LGA_LOCAL      RMSD:   2.654  Number of atoms:   27  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  32.276  Number of assigned atoms:  126 
Std_ASGN_ATOMS RMSD:  13.484  Standard rmsd on all 126 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.394731 * X  +   0.486115 * Y  +  -0.779666 * Z  +   6.044129
  Y_new =  -0.762588 * X  +  -0.646658 * Y  +  -0.017101 * Z  +  36.948528
  Z_new =  -0.512490 * X  +   0.587814 * Y  +   0.625962 * Z  +  13.681836 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.048440  0.538082  0.753980   [DEG: -117.3670   30.8299   43.1998 ]
ZXZ: -1.548866  0.894432 -0.717048   [DEG:  -88.7435   51.2472  -41.0838 ]
 
# END of job
