
#######################################################
#                                                     #
#                        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       4.86    24.82
  LCS_AVERAGE:     35.95

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    42      77_A - 118_A       1.86    23.88
  LCS_AVERAGE:     20.58

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    37      81_A - 117_A       0.90    23.33
  LCS_AVERAGE:     15.94

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    6   10   11   12   14   17   20   22   26   31   31   34   37   40   41   42   43 
LCS_GDT     R    60_A     R    60_A      3    4   10      3    3    3    4    5    6   11   13   14   23   24   29   31   32   35   38   40   41   42   43 
LCS_GDT     V    61_A     V    61_A      3    4   10      3    3    3    4    5    7   11   15   19   22   24   29   31   33   35   38   40   41   42   43 
LCS_GDT     K    62_A     K    62_A      3    4   10      3    3    4    4   10   11   12   14   18   20   24   29   31   33   35   38   40   41   42   49 
LCS_GDT     L    63_A     L    63_A      3    3   14      3    3    5    5    5    6    9   12   18   20   24   29   31   33   35   38   40   41   45   47 
LCS_GDT     R    64_A     R    64_A      4    5   14      3    4    5    5    5    6   10   14   18   20   24   29   31   33   35   38   40   41   47   51 
LCS_GDT     K    65_A     K    65_A      4    5   14      3    4    5    5    5    6    6   11   15   17   24   24   30   33   35   37   40   41   49   55 
LCS_GDT     H    66_A     H    66_A      4    5   14      3    4    4    5    5    6   11   14   18   19   24   29   31   33   35   38   40   43   49   55 
LCS_GDT     L    67_A     L    67_A      4    5   14      3    4    4    5    5    7   15   17   21   23   24   29   31   33   35   38   40   42   47   55 
LCS_GDT     V    68_A     V    68_A      3    5   54      1    3    3    5    5   12   15   21   21   23   24   28   30   32   35   41   46   47   50   51 
LCS_GDT     E    69_A     E    69_A      3    3   58      1    3    3    4    4    7   10   12   17   33   42   46   48   51   52   55   55   56   57   57 
LCS_GDT     I    70_A     I    70_A      3    3   58      1    3    4    4    5    7   10   12   13   16   16   43   46   47   51   53   54   56   57   57 
LCS_GDT     N    71_A     N    71_A      3    4   58      0    3    4    6   10   11   14   27   36   41   43   46   50   51   52   55   55   56   57   57 
LCS_GDT     A    72_A     A    72_A      4    5   58      3    4    6    6   16   21   26   32   38   42   44   46   50   51   52   55   55   56   57   57 
LCS_GDT     D    73_A     D    73_A      4    5   58      3    4    4    5    5    7    8   12   25   29   33   35   41   47   47   48   48   49   50   53 
LCS_GDT     E    74_A     E    74_A      4    5   58      3    4    6    6    6    7    8   12   14   19   21   35   36   39   41   48   48   49   50   51 
LCS_GDT     I    75_A     I    75_A      4    5   58      3    4    6    6   10   14   17   21   25   36   42   46   50   51   52   55   55   56   57   57 
LCS_GDT     T    76_A     T    76_A      3    5   58      1    4    6    6    6    7   10   35   41   42   44   48   50   51   52   55   55   56   57   57 
LCS_GDT     I    77_A     I    77_A      3   42   58      1    3    3    4    5   12   20   26   33   40   44   48   50   51   52   55   55   56   57   57 
LCS_GDT     T    78_A     T    78_A      3   42   58      2    8   14   23   29   37   41   42   43   44   45   48   50   51   52   55   55   56   57   57 
LCS_GDT     L    79_A     L    79_A     35   42   58      0    4   14   37   38   41   41   42   43   44   45   48   50   51   52   55   55   56   57   57 
LCS_GDT     S    80_A     S    80_A     36   42   58      0    3    5   13   21   41   41   42   43   44   45   48   50   51   52   55   55   56   57   57 
LCS_GDT     R    81_A     R    81_A     37   42   58      4    9   33   37   38   41   41   42   43   44   45   48   50   51   52   55   55   56   57   57 
LCS_GDT     Y    82_A     Y    82_A     37   42   58      5   20   35   37   38   41   41   42   43   44   45   48   50   51   52   55   55   56   57   57 
LCS_GDT     T    83_A     T    83_A     37   42   58      9   29   33   37   38   41   41   42   43   44   45   48   50   51   52   55   55   56   57   57 
LCS_GDT     S    84_A     S    84_A     37   42   58      9   30   35   37   38   41   41   42   43   44   45   48   50   51   52   55   55   56   57   57 
LCS_GDT     P    85_A     P    85_A     37   42   58     17   30   35   37   38   41   41   42   43   44   45   48   50   51   52   55   55   56   57   57 
LCS_GDT     E    86_A     E    86_A     37   42   58     17   30   35   37   38   41   41   42   43   44   45   48   50   51   52   55   55   56   57   57 
LCS_GDT     A    87_A     A    87_A     37   42   58     12   30   35   37   38   41   41   42   43   44   45   48   50   51   52   55   55   56   57   57 
LCS_GDT     L    88_A     L    88_A     37   42   58     12   30   35   37   38   41   41   42   43   44   45   48   50   51   52   55   55   56   57   57 
LCS_GDT     E    89_A     E    89_A     37   42   58     17   30   35   37   38   41   41   42   43   44   45   48   50   51   52   55   55   56   57   57 
LCS_GDT     R    90_A     R    90_A     37   42   58     17   30   35   37   38   41   41   42   43   44   45   48   50   51   52   55   55   56   57   57 
LCS_GDT     S    91_A     S    91_A     37   42   58     12   30   35   37   38   41   41   42   43   44   45   48   50   51   52   55   55   56   57   57 
LCS_GDT     I    92_A     I    92_A     37   42   58     17   30   35   37   38   41   41   42   43   44   45   48   50   51   52   55   55   56   57   57 
LCS_GDT     T    93_A     T    93_A     37   42   58     12   30   35   37   38   41   41   42   43   44   45   48   50   51   52   55   55   56   57   57 
LCS_GDT     A    94_A     A    94_A     37   42   58     12   30   35   37   38   41   41   42   43   44   45   48   50   51   52   55   55   56   57   57 
LCS_GDT     L    95_A     L    95_A     37   42   58     17   30   35   37   38   41   41   42   43   44   45   48   50   51   52   55   55   56   57   57 
LCS_GDT     A    96_A     A    96_A     37   42   58     17   30   35   37   38   41   41   42   43   44   45   48   50   51   52   55   55   56   57   57 
LCS_GDT     A    97_A     A    97_A     37   42   58      6   30   35   37   38   41   41   42   43   44   45   48   50   51   52   55   55   56   57   57 
LCS_GDT     M    98_A     M    98_A     37   42   58     17   30   35   37   38   41   41   42   43   44   45   48   50   51   52   55   55   56   57   57 
LCS_GDT     T    99_A     T    99_A     37   42   58     17   30   35   37   38   41   41   42   43   44   45   48   50   51   52   55   55   56   57   57 
LCS_GDT     G   100_A     G   100_A     37   42   58     17   30   35   37   38   41   41   42   43   44   45   48   50   51   52   55   55   56   57   57 
LCS_GDT     H   101_A     H   101_A     37   42   58     17   30   35   37   38   41   41   42   43   44   45   48   50   51   52   55   55   56   57   57 
LCS_GDT     A   102_A     A   102_A     37   42   58     16   30   35   37   38   41   41   42   43   44   45   48   50   51   52   55   55   56   57   57 
LCS_GDT     P   103_A     P   103_A     37   42   58     13   30   35   37   38   41   41   42   43   44   45   48   50   51   52   55   55   56   57   57 
LCS_GDT     S   104_A     S   104_A     37   42   58     17   30   35   37   38   41   41   42   43   44   45   48   50   51   52   55   55   56   57   57 
LCS_GDT     S   105_A     S   105_A     37   42   58     17   30   35   37   38   41   41   42   43   44   45   48   50   51   52   55   55   56   57   57 
LCS_GDT     I   106_A     I   106_A     37   42   58     17   30   35   37   38   41   41   42   43   44   45   48   50   51   52   55   55   56   57   57 
LCS_GDT     K   107_A     K   107_A     37   42   58     17   30   35   37   38   41   41   42   43   44   45   48   50   51   52   55   55   56   57   57 
LCS_GDT     E   108_A     E   108_A     37   42   58     17   30   35   37   38   41   41   42   43   44   45   48   50   51   52   55   55   56   57   57 
LCS_GDT     E   109_A     E   109_A     37   42   58     17   30   35   37   38   41   41   42   43   44   45   48   50   51   52   55   55   56   57   57 
LCS_GDT     C   110_A     C   110_A     37   42   58     14   30   35   37   38   41   41   42   43   44   45   48   50   51   52   55   55   56   57   57 
LCS_GDT     V   111_A     V   111_A     37   42   58     13   30   35   37   38   41   41   42   43   44   45   48   50   51   52   55   55   56   57   57 
LCS_GDT     E   112_A     E   112_A     37   42   58     13   30   35   37   38   41   41   42   43   44   45   48   50   51   52   55   55   56   57   57 
LCS_GDT     L   113_A     L   113_A     37   42   58     14   30   35   37   38   41   41   42   43   44   45   48   50   51   52   55   55   56   57   57 
LCS_GDT     I   114_A     I   114_A     37   42   58     12   27   35   37   38   41   41   42   43   44   45   48   50   51   52   55   55   56   57   57 
LCS_GDT     D   115_A     D   115_A     37   42   58     12   27   35   37   38   41   41   42   43   44   45   48   50   51   52   55   55   56   57   57 
LCS_GDT     K   116_A     K   116_A     37   42   58     12   27   35   37   38   41   41   42   43   44   45   48   50   51   52   55   55   56   57   57 
LCS_GDT     L   117_A     L   117_A     37   42   58      4   27   35   37   38   41   41   42   43   44   45   48   50   51   52   55   55   56   57   57 
LCS_GDT     D   118_A     D   118_A     34   42   58      0    3   16   33   36   41   41   42   43   44   45   48   50   51   52   55   55   56   57   57 
LCS_GDT     W   119_A     W   119_A      3   41   58      3    3    4    6    7   12   17   23   35   41   45   48   50   51   52   55   55   56   57   57 
LCS_GDT     L   120_A     L   120_A      4   25   58      3    5    8   12   17   22   26   28   35   39   44   48   50   51   52   55   55   56   57   57 
LCS_GDT     R   121_A     R   121_A     14   25   58      3   10   14   19   23   24   28   28   43   44   45   48   50   51   52   55   55   56   57   57 
LCS_GDT     V   122_A     V   122_A     14   25   58      3   10   15   21   23   24   28   28   29   34   43   48   50   51   52   55   55   56   57   57 
LCS_GDT     E   123_A     E   123_A     14   25   58      3   10   15   21   23   24   28   42   43   44   44   48   50   51   52   55   55   56   57   57 
LCS_GDT     N   124_A     N   124_A     14   25   58      3   10   26   33   37   41   41   42   43   44   45   47   50   51   52   55   55   56   57   57 
LCS_GDT     D   125_A     D   125_A     14   25   58      3   10   15   21   23   24   30   34   41   43   45   47   49   51   52   55   55   56   57   57 
LCS_GDT     V   126_A     V   126_A     14   25   58      3    8   14   21   23   24   28   33   41   43   45   47   49   51   52   55   55   56   57   57 
LCS_GDT     I   127_A     I   127_A     17   25   57      5   10   17   21   23   24   28   28   29   38   40   44   48   49   51   53   53   55   57   57 
LCS_GDT     Q   128_A     Q   128_A     17   25   55      9   15   17   21   23   24   28   28   29   30   32   38   41   44   46   52   53   53   55   57 
LCS_GDT     Y   129_A     Y   129_A     17   25   55      9   15   17   21   23   24   28   28   29   30   32   38   41   44   46   52   53   53   55   56 
LCS_GDT     P   130_A     P   130_A     17   25   52      8   15   17   21   23   24   28   28   29   30   31   34   37   38   45   47   50   51   55   56 
LCS_GDT     T   131_A     T   131_A     17   25   41      5   15   17   21   23   24   28   28   29   30   31   34   37   39   45   47   50   53   55   56 
LCS_GDT     L   132_A     L   132_A     17   25   41      9   15   17   21   23   24   28   28   29   30   31   34   39   44   46   51   53   53   55   56 
LCS_GDT     S   133_A     S   133_A     17   25   39      9   15   17   21   23   24   28   28   29   30   31   34   37   38   45   47   50   52   55   56 
LCS_GDT     K   134_A     K   134_A     17   25   36      9   15   17   21   23   24   28   28   29   30   31   34   37   37   38   41   43   47   51   56 
LCS_GDT     L   135_A     L   135_A     17   25   36      9   15   17   21   23   24   28   28   29   30   31   34   37   37   38   41   43   45   51   56 
LCS_GDT     L   136_A     L   136_A     17   25   36      9   15   17   21   23   24   28   28   29   30   31   34   37   37   38   41   43   45   51   56 
LCS_GDT     E   137_A     E   137_A     17   25   33      9   15   17   21   23   24   28   28   29   30   31   34   37   37   38   41   43   45   48   51 
LCS_GDT     L   138_A     L   138_A     17   25   33      9   15   17   21   23   24   28   28   29   30   31   34   37   37   38   41   43   45   47   49 
LCS_GDT     Y   139_A     Y   139_A     17   25   33      8   15   17   21   23   24   28   28   29   30   31   34   37   37   38   41   43   45   47   49 
LCS_GDT     N   140_A     N   140_A     17   25   33      9   15   17   21   23   24   28   28   29   30   31   34   37   37   38   41   43   45   47   50 
LCS_GDT     S   141_A     S   141_A     17   25   33      8   15   17   21   23   24   28   28   29   30   31   34   37   37   38   41   43   45   47   49 
LCS_GDT     Q   142_A     Q   142_A     17   25   33      6   15   17   19   23   24   28   28   29   30   31   32   37   37   38   41   43   45   47   48 
LCS_GDT     N   143_A     N   143_A     17   25   33      6   15   17   21   23   24   28   28   29   30   31   34   37   37   38   41   43   45   47   48 
LCS_GDT     H   147_A     H   147_A     10   25   33      3    4   13   15   19   23   25   27   29   30   31   34   37   37   38   41   43   45   48   50 
LCS_GDT     L   148_A     L   148_A     13   18   33      7   10   13   13   14   14   15   21   27   27   29   32   33   35   37   40   43   45   48   51 
LCS_GDT     S   149_A     S   149_A     13   15   33      7   12   13   13   14   20   25   26   28   30   31   34   37   37   38   42   44   47   51   56 
LCS_GDT     I   150_A     I   150_A     13   15   33      7   12   13   13   14   14   15   17   20   21   27   32   34   35   38   42   45   47   49   51 
LCS_GDT     E   151_A     E   151_A     13   15   37      7   12   13   13   14   18   19   24   27   27   29   32   34   41   42   52   53   53   55   57 
LCS_GDT     K   152_A     K   152_A     13   15   37      7   12   13   13   14   14   16   21   21   23   27   34   37   41   42   45   48   52   55   57 
LCS_GDT     L   153_A     L   153_A     13   15   37      7   12   13   13   14   14   15   16   18   20   25   28   36   41   42   45   48   52   55   57 
LCS_GDT     I   154_A     I   154_A     13   15   37      7   12   13   13   14   14   15   19   27   29   31   34   37   41   42   45   48   52   55   57 
LCS_GDT     A   155_A     A   155_A     13   15   37      7   12   13   13   14   20   22   25   28   30   31   34   37   41   42   45   48   52   55   57 
LCS_GDT     G   156_A     G   156_A     13   15   37      6   12   13   13   14   18   26   29   31   32   32   34   37   41   42   45   48   52   55   57 
LCS_GDT     L   157_A     L   157_A     13   15   37      6   12   13   13   14   14   16   29   31   32   32   34   37   41   42   45   48   52   55   57 
LCS_GDT     A   158_A     A   158_A     13   15   37      6   12   13   15   21   23   27   29   31   32   32   34   37   41   42   45   48   52   55   57 
LCS_GDT     V   159_A     V   159_A     13   16   37      4   12   13   13   14   24   27   29   31   32   32   34   37   41   42   45   48   52   55   57 
LCS_GDT     R   160_A     R   160_A     14   19   37     10   13   15   17   19   21   27   29   31   32   32   33   33   34   35   41   44   49   55   57 
LCS_GDT     R   161_A     R   161_A     14   19   37     11   13   15   17   19   21   27   29   31   32   32   33   33   34   35   38   42   47   49   51 
LCS_GDT     K   162_A     K   162_A     14   19   37     11   13   15   17   19   21   27   29   31   32   32   33   36   39   42   45   46   52   55   57 
LCS_GDT     V   163_A     V   163_A     14   19   37     11   13   15   17   19   24   27   29   31   32   32   34   37   41   42   45   48   52   55   57 
LCS_GDT     C   164_A     C   164_A     14   19   37     11   13   15   17   19   24   27   29   31   32   32   34   37   41   42   45   48   52   55   57 
LCS_GDT     K   165_A     K   165_A     14   19   37     11   13   15   17   19   24   27   29   31   32   32   34   37   41   42   45   48   52   55   57 
LCS_GDT     L   166_A     L   166_A     14   19   37     11   13   15   17   19   24   27   29   31   32   32   34   37   41   42   45   48   52   55   57 
LCS_GDT     V   167_A     V   167_A     14   21   37     11   13   15   17   21   24   27   29   31   32   32   34   37   41   42   45   48   52   55   57 
LCS_GDT     Q   168_A     Q   168_A     14   21   37     11   13   15   17   19   24   27   29   31   32   32   34   37   41   42   45   48   52   55   57 
LCS_GDT     D   169_A     D   169_A     14   21   37     11   13   15   17   21   24   27   29   31   32   32   34   37   41   42   45   48   52   55   57 
LCS_GDT     G   170_A     G   170_A     14   21   37     11   13   15   18   21   24   27   29   31   32   32   33   37   41   42   45   48   52   55   57 
LCS_GDT     H   171_A     H   171_A     17   21   37     11   13   16   18   21   24   27   29   31   32   32   34   37   41   42   45   48   52   55   57 
LCS_GDT     I   172_A     I   172_A     17   21   37      7   15   16   18   21   24   27   29   31   32   32   34   37   41   42   45   48   52   55   57 
LCS_GDT     D   173_A     D   173_A     17   21   37     14   15   16   18   21   24   27   29   31   32   32   34   37   41   42   45   48   52   55   57 
LCS_GDT     E   174_A     E   174_A     17   21   37     14   15   16   18   21   24   27   29   31   32   32   34   37   41   42   45   48   52   55   57 
LCS_GDT     T   175_A     T   175_A     17   21   37     14   15   16   18   21   23   27   29   30   32   32   34   37   41   42   45   48   52   55   57 
LCS_GDT     V   176_A     V   176_A     17   21   37     14   15   16   18   21   24   27   29   31   32   32   34   37   41   42   45   48   52   55   57 
LCS_GDT     Y   177_A     Y   177_A     17   21   37     14   15   16   18   21   24   27   29   31   32   32   34   37   41   42   45   48   52   55   57 
LCS_GDT     R   178_A     R   178_A     17   21   37     14   15   16   18   21   24   27   29   31   32   32   34   37   41   42   45   48   52   55   57 
LCS_GDT     A   179_A     A   179_A     17   21   37     14   15   16   18   21   24   27   29   31   32   32   34   37   41   42   45   48   52   55   57 
LCS_GDT     L   180_A     L   180_A     17   21   37     14   15   16   18   21   24   27   29   31   32   32   34   37   41   42   45   48   52   55   57 
LCS_GDT     D   181_A     D   181_A     17   21   37     14   15   16   18   21   24   27   29   31   32   32   34   37   41   42   45   48   52   55   57 
LCS_GDT     E   182_A     E   182_A     17   21   37     14   15   16   18   21   24   27   29   31   32   32   34   37   41   42   45   48   52   55   57 
LCS_GDT     M   183_A     M   183_A     17   21   37     14   15   16   18   21   24   27   29   31   32   32   34   37   41   42   45   48   52   55   57 
LCS_GDT     A   184_A     A   184_A     17   21   37     14   15   16   18   21   24   27   29   31   32   32   34   37   41   42   45   48   52   55   57 
LCS_GDT     A   185_A     A   185_A     17   21   37     14   15   16   18   21   24   27   29   31   32   32   34   37   41   42   45   48   52   55   57 
LCS_GDT     G   186_A     G   186_A     17   21   37     14   15   16   18   21   24   27   29   31   32   32   34   37   41   42   45   48   52   55   57 
LCS_GDT     A   187_A     A   187_A     17   21   37      1    4   16   18   21   24   27   29   31   32   32   33   37   41   42   45   48   52   55   57 
LCS_AVERAGE  LCS_A:  24.16  (  15.94   20.58   35.95 )

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     17     30     35     37     38     41     41     42     43     44     45     48     50     51     52     55     55     56     57     57 
GDT PERCENT_AT  13.49  23.81  27.78  29.37  30.16  32.54  32.54  33.33  34.13  34.92  35.71  38.10  39.68  40.48  41.27  43.65  43.65  44.44  45.24  45.24
GDT RMS_LOCAL    7.68   0.60   0.85   0.90   0.96   1.33   1.33   1.51   2.02   2.13   2.68   3.22   3.40   3.53   3.68   4.16   4.16   4.33   4.57   4.57
GDT RMS_ALL_AT  23.43  23.44  23.42  23.33  23.38  23.35  23.35  23.54  23.46  23.62  22.90  24.01  24.72  23.47  23.49  24.17  24.17  24.32  24.15  24.15

# 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   109_A      E   109_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

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    R    59_A      R    59_A    23.420     6    0.056   0.074    25.228    0.000    0.000
LGA    R    60_A      R    60_A    22.687     6    0.218   0.214    24.525    0.000    0.000
LGA    V    61_A      V    61_A    21.416     0    0.579   0.633    25.043    0.000    0.000
LGA    K    62_A      K    62_A    17.842     0    0.627   0.963    19.374    0.000    0.000
LGA    L    63_A      L    63_A    20.214     0    0.619   0.510    26.678    0.000    0.000
LGA    R    64_A      R    64_A    20.354     6    0.599   0.594    20.737    0.000    0.000
LGA    K    65_A      K    65_A    22.001     0    0.016   0.841    31.756    0.000    0.000
LGA    H    66_A      H    66_A    19.179     0    0.195   1.515    20.644    0.000    0.000
LGA    L    67_A      L    67_A    15.597     0    0.617   0.614    17.024    0.000    0.000
LGA    V    68_A      V    68_A    14.048     0    0.615   0.931    16.895    0.000    0.000
LGA    E    69_A      E    69_A     7.912     0    0.639   1.336    10.133    6.905    8.095
LGA    I    70_A      I    70_A    10.476     0    0.597   0.702    16.827    0.833    0.417
LGA    N    71_A      N    71_A     9.329     0    0.608   0.592    10.790    0.595    0.714
LGA    A    72_A      A    72_A     9.045     0    0.571   0.541    10.655    1.071    1.429
LGA    D    73_A      D    73_A    13.568     0    0.344   1.032    16.652    0.000    0.000
LGA    E    74_A      E    74_A    14.938     0    0.141   0.884    20.953    0.000    0.000
LGA    I    75_A      I    75_A     9.625     0    0.554   0.810    11.412    0.833    4.107
LGA    T    76_A      T    76_A     7.226     0    0.614   0.538     8.792    6.786    9.184
LGA    I    77_A      I    77_A     8.088     0    0.629   0.627    12.793    8.095    4.107
LGA    T    78_A      T    78_A     4.673     0    0.614   0.558     5.470   36.190   33.469
LGA    L    79_A      L    79_A     2.307     0    0.605   0.686     5.418   51.429   52.738
LGA    S    80_A      S    80_A     3.199     0    0.568   0.912     6.818   67.262   52.302
LGA    R    81_A      R    81_A     1.928     0    0.105   1.192     9.200   68.810   39.264
LGA    Y    82_A      Y    82_A     1.795     0    0.078   0.107     3.658   72.976   61.984
LGA    T    83_A      T    83_A     2.013     0    0.027   0.074     2.573   70.833   67.143
LGA    S    84_A      S    84_A     1.565     0    0.052   0.121     1.736   75.000   75.714
LGA    P    85_A      P    85_A     1.062     0    0.026   0.096     1.178   85.952   84.014
LGA    E    86_A      E    86_A     0.872     0    0.026   1.185     6.736   88.214   62.275
LGA    A    87_A      A    87_A     1.407     0    0.029   0.035     1.849   81.429   79.714
LGA    L    88_A      L    88_A     1.155     0    0.068   0.112     1.766   83.690   80.417
LGA    E    89_A      E    89_A     0.282     0    0.056   0.220     1.055  100.000   94.762
LGA    R    90_A      R    90_A     0.639     0    0.025   1.213     6.318   92.857   68.961
LGA    S    91_A      S    91_A     1.065     0    0.030   0.036     1.694   88.214   84.524
LGA    I    92_A      I    92_A     0.536     0    0.058   0.108     1.306   92.857   88.274
LGA    T    93_A      T    93_A     0.738     0    0.030   0.062     1.115   92.857   90.544
LGA    A    94_A      A    94_A     0.914     0    0.062   0.071     1.110   90.476   88.667
LGA    L    95_A      L    95_A     0.221     0    0.038   0.124     1.298  100.000   91.845
LGA    A    96_A      A    96_A     0.615     0    0.057   0.077     0.782   92.857   92.381
LGA    A    97_A      A    97_A     0.767     0    0.065   0.082     0.879   90.476   90.476
LGA    M    98_A      M    98_A     0.309     0    0.063   0.189     0.464  100.000  100.000
LGA    T    99_A      T    99_A     0.270     0    0.066   0.117     0.780  100.000   95.918
LGA    G   100_A      G   100_A     0.754     0    0.030   0.030     0.984   90.476   90.476
LGA    H   101_A      H   101_A     0.747     5    0.043   0.082     0.749   90.476   45.238
LGA    A   102_A      A   102_A     0.578     0    0.064   0.097     0.731   90.476   90.476
LGA    P   103_A      P   103_A     0.876     0    0.068   0.069     0.876   90.476   90.476
LGA    S   104_A      S   104_A     0.843     0    0.059   0.676     2.369   90.476   86.190
LGA    S   105_A      S   105_A     0.820     0    0.070   0.195     0.921   90.476   90.476
LGA    I   106_A      I   106_A     0.697     0    0.033   0.079     0.889   90.476   90.476
LGA    K   107_A      K   107_A     0.611     0    0.029   0.709     2.734   92.857   82.328
LGA    E   108_A      E   108_A     0.571     3    0.016   0.679     1.756   90.476   58.360
LGA    E   109_A      E   109_A     0.619     0    0.052   0.660     3.323   90.476   72.487
LGA    C   110_A      C   110_A     0.650     0    0.023   0.080     0.975   90.476   90.476
LGA    V   111_A      V   111_A     0.807     0    0.034   0.090     1.124   90.476   87.891
LGA    E   112_A      E   112_A     0.656     0    0.070   0.547     2.191   92.857   87.672
LGA    L   113_A      L   113_A     0.552     0    0.028   1.465     4.439   90.476   72.083
LGA    I   114_A      I   114_A     1.181     0    0.082   0.099     2.091   83.690   77.262
LGA    D   115_A      D   115_A     1.176     0    0.134   0.871     1.913   83.690   81.488
LGA    K   116_A      K   116_A     1.082     2    0.256   0.953     3.273   81.429   58.995
LGA    L   117_A      L   117_A     1.270     0    0.628   0.653     2.041   77.262   79.345
LGA    D   118_A      D   118_A     3.639     0    0.616   1.252     6.758   32.024   24.643
LGA    W   119_A      W   119_A     9.839     0    0.656   1.110    15.789    2.738    0.816
LGA    L   120_A      L   120_A    11.187     0    0.673   0.538    15.287    0.000    0.000
LGA    R   121_A      R   121_A     8.424     0    0.178   0.856    10.599    1.667   21.039
LGA    V   122_A      V   122_A    11.949     0    0.117   0.112    15.673    0.000    0.000
LGA    E   123_A      E   123_A     7.769     4    0.269   0.269     9.251   19.286    8.889
LGA    N   124_A      N   124_A     3.042     0    0.050   0.274     5.954   33.690   50.655
LGA    D   125_A      D   125_A     9.699     0    0.102   1.251    14.761    2.738    1.369
LGA    V   126_A      V   126_A    10.001     0    0.035   0.086    13.743    0.119    1.224
LGA    I   127_A      I   127_A    14.789     0    0.057   0.214    17.664    0.000    0.000
LGA    Q   128_A      Q   128_A    18.177     0    0.045   1.274    24.490    0.000    0.000
LGA    Y   129_A      Y   129_A    18.853     0    0.042   1.382    21.444    0.000    0.000
LGA    P   130_A      P   130_A    25.975     0    0.030   0.068    27.871    0.000    0.000
LGA    T   131_A      T   131_A    25.121     0    0.059   0.178    25.618    0.000    0.000
LGA    L   132_A      L   132_A    20.765     0    0.050   0.149    23.429    0.000    0.000
LGA    S   133_A      S   133_A    24.670     0    0.066   0.652    28.398    0.000    0.000
LGA    K   134_A      K   134_A    31.362     4    0.086   0.084    33.480    0.000    0.000
LGA    L   135_A      L   135_A    29.914     0    0.014   1.359    31.617    0.000    0.000
LGA    L   136_A      L   136_A    27.913     0    0.036   1.286    31.483    0.000    0.000
LGA    E   137_A      E   137_A    33.679     4    0.070   0.073    37.385    0.000    0.000
LGA    L   138_A      L   138_A    38.335     3    0.033   0.034    40.713    0.000    0.000
LGA    Y   139_A      Y   139_A    36.648     0    0.025   0.113    39.314    0.000    0.000
LGA    N   140_A      N   140_A    36.453     0    0.039   0.111    40.384    0.000    0.000
LGA    S   141_A      S   141_A    42.926     0    0.237   0.745    47.252    0.000    0.000
LGA    Q   142_A      Q   142_A    46.204     4    0.129   0.125    47.443    0.000    0.000
LGA    N   143_A      N   143_A    43.907     3    0.279   0.269    44.282    0.000    0.000
LGA    H   147_A      H   147_A    33.587     0    0.373   0.602    35.578    0.000    0.000
LGA    L   148_A      L   148_A    29.499     0    0.373   1.335    33.208    0.000    0.000
LGA    S   149_A      S   149_A    23.147     0    0.076   0.569    25.296    0.000    0.000
LGA    I   150_A      I   150_A    19.040     0    0.030   0.118    20.488    0.000    0.000
LGA    E   151_A      E   151_A    14.232     0    0.049   0.778    16.046    0.000    0.000
LGA    K   152_A      K   152_A    19.215     0    0.056   0.743    25.475    0.000    0.000
LGA    L   153_A      L   153_A    22.754     0    0.030   0.903    27.870    0.000    0.000
LGA    I   154_A      I   154_A    17.861     0    0.045   0.126    19.053    0.000    0.000
LGA    A   155_A      A   155_A    17.555     0    0.037   0.042    20.807    0.000    0.000
LGA    G   156_A      G   156_A    24.071     0    0.061   0.061    26.430    0.000    0.000
LGA    L   157_A      L   157_A    25.549     0    0.046   1.383    26.643    0.000    0.000
LGA    A   158_A      A   158_A    22.718     0    0.174   0.182    25.635    0.000    0.000
LGA    V   159_A      V   159_A    27.190     0    0.345   1.273    30.058    0.000    0.000
LGA    R   160_A      R   160_A    32.137     0    0.554   1.410    33.529    0.000    0.000
LGA    R   161_A      R   161_A    32.967     0    0.059   1.149    35.849    0.000    0.000
LGA    K   162_A      K   162_A    34.303     0    0.079   0.750    36.738    0.000    0.000
LGA    V   163_A      V   163_A    34.918     0    0.017   0.170    35.813    0.000    0.000
LGA    C   164_A      C   164_A    35.076     0    0.034   0.033    36.584    0.000    0.000
LGA    K   165_A      K   165_A    36.749     0    0.060   0.676    39.965    0.000    0.000
LGA    L   166_A      L   166_A    38.293     0    0.091   0.179    39.878    0.000    0.000
LGA    V   167_A      V   167_A    38.267     0    0.030   0.070    39.572    0.000    0.000
LGA    Q   168_A      Q   168_A    38.874     0    0.045   1.337    40.597    0.000    0.000
LGA    D   169_A      D   169_A    41.208     0    0.034   0.126    42.935    0.000    0.000
LGA    G   170_A      G   170_A    42.332     0    0.046   0.046    43.277    0.000    0.000
LGA    H   171_A      H   171_A    41.929     0    0.316   1.047    44.038    0.000    0.000
LGA    I   172_A      I   172_A    40.670     0    0.114   0.241    43.253    0.000    0.000
LGA    D   173_A      D   173_A    44.296     0    0.085   0.997    47.117    0.000    0.000
LGA    E   174_A      E   174_A    46.023     4    0.061   0.064    47.987    0.000    0.000
LGA    T   175_A      T   175_A    43.793     0    0.017   0.188    45.608    0.000    0.000
LGA    V   176_A      V   176_A    39.291     0    0.040   0.141    41.098    0.000    0.000
LGA    Y   177_A      Y   177_A    40.331     7    0.016   0.039    41.942    0.000    0.000
LGA    R   178_A      R   178_A    41.885     0    0.052   1.403    49.524    0.000    0.000
LGA    A   179_A      A   179_A    37.338     0    0.043   0.049    39.051    0.000    0.000
LGA    L   180_A      L   180_A    34.550     0    0.042   0.152    35.801    0.000    0.000
LGA    D   181_A      D   181_A    37.824     0    0.025   0.090    42.293    0.000    0.000
LGA    E   182_A      E   182_A    37.107     0    0.028   0.257    42.266    0.000    0.000
LGA    M   183_A      M   183_A    31.771     0    0.044   1.080    33.750    0.000    0.000
LGA    A   184_A      A   184_A    32.539     0    0.026   0.043    33.556    0.000    0.000
LGA    A   185_A      A   185_A    36.001     0    0.207   0.233    37.685    0.000    0.000
LGA    G   186_A      G   186_A    32.001     0    0.516   0.516    33.247    0.000    0.000
LGA    A   187_A      A   187_A    27.661     0    0.606   0.602    28.975    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):    17.320         17.268                 17.117           28.073   25.748

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  187  126    4.0     42    1.51    32.540    29.790     2.611

LGA_LOCAL      RMSD:   1.508  Number of atoms:   42  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  23.537  Number of assigned atoms:  126 
Std_ASGN_ATOMS RMSD:  17.320  Standard rmsd on all 126 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.293590 * X  +  -0.610202 * Y  +  -0.735838 * Z  +  16.740061
  Y_new =   0.758672 * X  +  -0.319569 * Y  +   0.567708 * Z  +  15.458973
  Z_new =  -0.581568 * X  +  -0.724933 * Y  +   0.369121 * Z  +  26.692152 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.201565  0.620655 -1.099832   [DEG:   68.8446   35.5609  -63.0157 ]
ZXZ: -2.227923  1.192733 -2.465490   [DEG: -127.6506   68.3386 -141.2621 ]
 
# END of job
