
#######################################################
#                                                     #
#                        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:    37     151_A - 187_A       4.74    27.52
  LCS_AVERAGE:     24.78

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    22      79_A - 100_A       1.98    28.74
  LONGEST_CONTINUOUS_SEGMENT:    22     166_A - 187_A       1.83    28.84
  LCS_AVERAGE:     12.52

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    17      83_A - 99_A        0.94    28.68
  LONGEST_CONTINUOUS_SEGMENT:    17      84_A - 100_A       0.71    28.81
  LCS_AVERAGE:      8.81

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   11      0    3    3    3    4    6   13   15   15   18   20   20   23   25   27   32   36   42   45   50 
LCS_GDT     R    60_A     R    60_A      3    4   11      1    3    4    4    5    5    6    8   14   15   19   21   23   25   27   32   37   42   45   50 
LCS_GDT     V    61_A     V    61_A      3    4   11      1    3    4    4    6    7    8   11   12   13   16   20   23   26   33   35   39   42   48   53 
LCS_GDT     K    62_A     K    62_A      3    4   11      1    3    4    4    5    5    6    9   12   14   16   22   26   30   32   36   41   44   49   53 
LCS_GDT     L    63_A     L    63_A      3    3   14      1    3    4    4    5    7   11   14   20   20   22   25   27   31   33   37   41   45   49   53 
LCS_GDT     R    64_A     R    64_A      4    5   14      3    4    5    6    6    6   11   14   20   20   22   25   27   31   33   37   41   45   49   53 
LCS_GDT     K    65_A     K    65_A      4    5   14      3    4    4    6    6    6    6    9   10   12   13   15   21   23   28   29   32   41   44   47 
LCS_GDT     H    66_A     H    66_A      4    5   14      3    4    5    6    6    6    6    9   10   12   13   15   16   17   20   21   24   25   30   39 
LCS_GDT     L    67_A     L    67_A      4    5   14      3    4    5    6    6    6    6    9   10   12   14   17   22   25   31   34   40   43   48   51 
LCS_GDT     V    68_A     V    68_A      3    5   14      3    3    5    6    6    9   12   15   20   20   22   25   27   30   33   37   41   45   49   53 
LCS_GDT     E    69_A     E    69_A      3    5   33      3    3    4    4    5    5    6    7   20   20   22   25   27   30   33   37   41   45   49   53 
LCS_GDT     I    70_A     I    70_A      4    5   33      3    4    4    5    5    7    7   14   20   20   24   28   33   36   40   42   43   45   49   53 
LCS_GDT     N    71_A     N    71_A      4    5   33      3    4    4    6   11   16   21   24   27   28   29   33   36   37   40   42   43   45   49   53 
LCS_GDT     A    72_A     A    72_A      5    5   33      3    4    9   14   18   22   23   25   27   28   29   33   36   37   40   42   43   44   48   53 
LCS_GDT     D    73_A     D    73_A      5    5   33      3    4    5    6    7   12   16   24   26   26   28   30   31   31   36   39   41   43   47   50 
LCS_GDT     E    74_A     E    74_A      5    5   33      3    4    5    5    6   12   16   16   19   24   28   30   31   31   32   39   41   43   47   50 
LCS_GDT     I    75_A     I    75_A      5    5   33      3    4    5    6   15   20   23   25   27   28   29   33   36   37   40   42   43   44   47   50 
LCS_GDT     T    76_A     T    76_A      5    5   33      3    4    5    6   20   22   23   25   27   28   29   33   36   37   40   42   43   44   47   50 
LCS_GDT     I    77_A     I    77_A      3    5   33      3    4    9   15   20   22   23   25   27   28   29   33   36   37   40   42   43   44   47   51 
LCS_GDT     T    78_A     T    78_A      3    4   33      3    4   13   18   20   22   23   25   27   28   29   33   36   37   40   42   43   44   47   50 
LCS_GDT     L    79_A     L    79_A      3   22   33      0    3    4   13   17   19   23   25   27   28   29   33   36   37   40   42   43   44   47   53 
LCS_GDT     S    80_A     S    80_A      4   22   33      3    3    4    6    8    9   11   17   23   28   29   33   36   37   40   42   43   45   49   53 
LCS_GDT     R    81_A     R    81_A      4   22   33      3    3    4    6   13   18   22   24   27   28   29   33   36   37   40   42   43   45   49   53 
LCS_GDT     Y    82_A     Y    82_A      4   22   33      3    3    5   18   18   21   23   25   27   28   29   33   36   37   40   42   43   44   48   53 
LCS_GDT     T    83_A     T    83_A     17   22   33      3    5    8   11   20   22   23   25   27   28   29   33   36   37   40   42   43   44   47   50 
LCS_GDT     S    84_A     S    84_A     17   22   33      6   16   17   18   20   22   23   25   27   28   29   33   36   37   40   42   43   44   47   50 
LCS_GDT     P    85_A     P    85_A     17   22   33      7   16   17   18   20   22   23   25   27   28   29   33   36   37   40   42   43   44   47   50 
LCS_GDT     E    86_A     E    86_A     17   22   33      7   16   17   18   20   22   23   25   27   28   29   33   36   37   40   42   43   44   47   50 
LCS_GDT     A    87_A     A    87_A     17   22   33      9   16   17   18   20   22   23   25   27   28   29   33   36   37   40   42   43   44   47   50 
LCS_GDT     L    88_A     L    88_A     17   22   33      9   16   17   18   20   22   23   25   27   28   29   33   36   37   40   42   43   44   47   50 
LCS_GDT     E    89_A     E    89_A     17   22   33      9   16   17   18   20   22   23   25   27   28   29   33   36   37   40   42   43   44   47   50 
LCS_GDT     R    90_A     R    90_A     17   22   33      9   16   17   18   20   22   23   25   27   28   29   33   36   37   40   42   43   44   47   50 
LCS_GDT     S    91_A     S    91_A     17   22   33      9   16   17   18   20   22   23   25   27   28   29   33   36   37   40   42   43   44   47   50 
LCS_GDT     I    92_A     I    92_A     17   22   33      9   16   17   18   20   22   23   25   27   28   29   33   36   37   40   42   43   44   47   50 
LCS_GDT     T    93_A     T    93_A     17   22   33      8   16   17   18   20   22   23   25   27   28   29   33   36   37   40   42   43   44   47   50 
LCS_GDT     A    94_A     A    94_A     17   22   33      8   16   17   18   20   22   23   25   27   28   29   33   36   37   40   42   43   44   47   50 
LCS_GDT     L    95_A     L    95_A     17   22   33      9   16   17   18   20   22   23   25   27   28   29   33   36   37   40   42   43   44   47   50 
LCS_GDT     A    96_A     A    96_A     17   22   33      9   16   17   18   20   22   23   25   27   28   29   33   36   37   40   42   43   44   47   50 
LCS_GDT     A    97_A     A    97_A     17   22   33      7   16   17   18   20   22   23   25   27   28   29   33   36   37   40   42   43   44   47   50 
LCS_GDT     M    98_A     M    98_A     17   22   33      8   16   17   18   20   22   23   25   27   28   29   33   36   37   40   42   43   44   47   50 
LCS_GDT     T    99_A     T    99_A     17   22   33      9   16   17   18   20   22   23   25   27   28   29   32   34   37   40   42   43   44   46   48 
LCS_GDT     G   100_A     G   100_A     17   22   33      4    9   17   18   20   22   23   25   27   28   29   33   36   37   40   42   43   44   46   49 
LCS_GDT     H   101_A     H   101_A     12   18   33      5   11   12   15   16   16   18   19   23   28   29   33   36   37   40   42   43   44   47   50 
LCS_GDT     A   102_A     A   102_A     12   18   33      5   11   12   15   16   16   18   18   19   23   28   31   34   37   40   42   43   44   47   50 
LCS_GDT     P   103_A     P   103_A     12   18   33      6   11   12   15   16   16   18   18   19   22   24   27   30   31   34   38   40   43   47   50 
LCS_GDT     S   104_A     S   104_A     12   18   29      6   11   12   15   16   16   18   18   19   22   24   27   30   31   34   38   39   42   47   50 
LCS_GDT     S   105_A     S   105_A     12   18   29      6   11   12   15   16   16   18   18   19   22   24   29   32   36   39   42   43   44   47   50 
LCS_GDT     I   106_A     I   106_A     12   18   29      6   11   12   15   16   16   18   18   19   23   28   31   36   37   40   42   43   44   47   50 
LCS_GDT     K   107_A     K   107_A     12   18   29      6   10   12   15   16   16   18   18   19   22   24   26   30   31   34   38   40   42   47   50 
LCS_GDT     E   108_A     E   108_A     12   18   29      6   11   12   15   16   16   18   18   19   22   24   28   30   35   37   42   42   44   47   50 
LCS_GDT     E   109_A     E   109_A     12   18   29      5   11   12   15   16   16   18   18   19   23   28   32   36   37   40   42   43   44   47   50 
LCS_GDT     C   110_A     C   110_A     12   18   29      5   11   12   15   16   16   18   18   19   23   28   33   36   37   40   42   43   44   47   50 
LCS_GDT     V   111_A     V   111_A     12   18   29      5   11   12   15   16   16   18   18   19   22   24   28   32   36   40   42   43   44   47   50 
LCS_GDT     E   112_A     E   112_A     12   18   29      5   11   12   15   16   16   18   18   19   23   28   32   36   37   40   42   43   44   47   50 
LCS_GDT     L   113_A     L   113_A     10   18   29      4    7   11   15   16   16   18   18   20   26   29   33   36   37   40   42   43   44   49   53 
LCS_GDT     I   114_A     I   114_A     10   18   29      4    7   11   15   16   16   18   18   19   22   29   33   36   37   40   42   43   44   49   53 
LCS_GDT     D   115_A     D   115_A     10   18   29      4    7   11   15   16   16   18   18   20   25   29   33   36   37   40   42   43   44   47   50 
LCS_GDT     K   116_A     K   116_A     10   18   29      4    7   11   15   16   16   18   18   19   23   28   33   36   37   40   42   43   44   49   52 
LCS_GDT     L   117_A     L   117_A      8   18   29      4    7    9   12   14   16   18   18   19   22   24   27   30   32   36   39   43   45   49   53 
LCS_GDT     D   118_A     D   118_A      3   18   29      1    3    5    7   12   13   16   18   19   22   29   31   33   36   38   39   41   44   49   53 
LCS_GDT     W   119_A     W   119_A      3   14   29      3   10   14   18   19   21   22   23   24   26   29   31   33   36   38   40   43   45   49   53 
LCS_GDT     L   120_A     L   120_A      3    5   29      3    3   11   17   17   17   17   21   24   25   29   31   33   36   38   39   41   45   49   53 
LCS_GDT     R   121_A     R   121_A      3    5   29      4   10   14   18   19   21   22   23   25   27   30   31   33   36   38   39   41   45   49   53 
LCS_GDT     V   122_A     V   122_A      3    6   29      3    9   17   20   22   24   26   27   29   30   32   33   35   36   38   39   40   45   49   53 
LCS_GDT     E   123_A     E   123_A      5    6   29      3    4    5    6   17   23   26   27   28   30   31   33   35   36   38   39   40   44   49   53 
LCS_GDT     N   124_A     N   124_A      5    6   29      3    4    5    5    5    6    9   16   23   27   30   30   33   36   38   39   40   45   49   53 
LCS_GDT     D   125_A     D   125_A      5    6   29      3    4    5   12   19   19   22   23   24   25   29   31   33   36   38   39   41   45   49   53 
LCS_GDT     V   126_A     V   126_A      5    6   29      3    4    5    6   12   15   17   18   22   23   27   30   32   34   35   36   41   45   49   53 
LCS_GDT     I   127_A     I   127_A      5   17   29      3    4    5    5    6    7   12   16   19   22   25   30   32   34   34   37   41   45   49   53 
LCS_GDT     Q   128_A     Q   128_A     16   17   29      0    6   14   17   17   17   17   18   22   23   27   30   32   34   34   37   41   45   49   53 
LCS_GDT     Y   129_A     Y   129_A     16   17   29      4   11   15   17   17   17   17   17   19   22   27   29   31   34   34   38   41   44   49   53 
LCS_GDT     P   130_A     P   130_A     16   17   29      4   13   15   17   17   17   17   18   22   23   27   30   32   34   34   37   41   43   47   49 
LCS_GDT     T   131_A     T   131_A     16   17   27      4   13   15   17   17   17   17   18   22   23   27   30   32   34   34   37   41   43   48   51 
LCS_GDT     L   132_A     L   132_A     16   17   27      6   13   15   17   17   17   17   18   22   23   27   30   32   34   34   37   41   45   49   53 
LCS_GDT     S   133_A     S   133_A     16   17   27      6   13   15   17   17   17   17   18   22   23   27   30   32   34   34   37   41   43   47   49 
LCS_GDT     K   134_A     K   134_A     16   17   27      6   13   15   17   17   17   17   18   22   23   27   30   32   34   34   35   38   41   45   48 
LCS_GDT     L   135_A     L   135_A     16   17   27      6   13   15   17   17   17   17   18   22   23   27   30   32   34   34   35   38   43   46   48 
LCS_GDT     L   136_A     L   136_A     16   17   27      6   13   15   17   17   17   17   18   22   23   27   30   32   34   34   36   41   43   47   51 
LCS_GDT     E   137_A     E   137_A     16   17   27      6   13   15   17   17   17   17   18   22   23   27   30   32   34   34   35   38   40   40   42 
LCS_GDT     L   138_A     L   138_A     16   17   31      5   13   15   17   17   17   17   18   22   23   27   30   32   34   34   35   38   40   40   42 
LCS_GDT     Y   139_A     Y   139_A     16   17   31      5   13   15   17   17   17   17   18   22   23   27   30   32   34   34   35   38   40   40   46 
LCS_GDT     N   140_A     N   140_A     16   17   31      5   13   15   17   17   17   17   18   22   23   27   30   32   34   34   35   38   40   44   48 
LCS_GDT     S   141_A     S   141_A     16   17   31      5   13   15   17   17   17   17   18   22   23   27   30   32   34   34   35   38   40   40   42 
LCS_GDT     Q   142_A     Q   142_A     16   17   31      3   13   15   17   17   17   17   18   22   23   27   30   32   34   34   35   38   40   40   42 
LCS_GDT     N   143_A     N   143_A     16   17   31      0   12   15   17   17   17   17   18   22   23   27   30   32   34   34   35   38   40   45   49 
LCS_GDT     H   147_A     H   147_A      3    3   31      0    3    4    6    7    8   10   13   17   21   23   27   31   33   34   35   40   45   49   53 
LCS_GDT     L   148_A     L   148_A      3   11   31      2    3    4    6    7   10   12   13   17   21   23   27   31   33   34   36   41   45   49   53 
LCS_GDT     S   149_A     S   149_A     10   11   31      9   10   10   11   11   11   13   15   17   21   23   26   29   31   34   36   41   45   49   53 
LCS_GDT     I   150_A     I   150_A     10   11   31      9   10   10   11   11   11   13   15   16   18   22   25   28   31   34   36   41   45   49   53 
LCS_GDT     E   151_A     E   151_A     10   11   37      9   10   10   11   11   11   13   15   16   19   23   26   29   31   34   38   41   45   49   53 
LCS_GDT     K   152_A     K   152_A     10   11   37      9   10   10   11   11   11   15   19   21   26   29   32   35   36   38   39   40   45   49   53 
LCS_GDT     L   153_A     L   153_A     10   11   37      9   10   10   11   11   11   13   15   16   21   23   27   30   33   34   38   40   45   49   53 
LCS_GDT     I   154_A     I   154_A     10   11   37      9   10   10   11   11   11   13   19   21   25   29   31   33   36   38   39   41   45   49   53 
LCS_GDT     A   155_A     A   155_A     10   11   37      9   10   10   11   19   22   26   27   29   30   32   33   35   36   38   39   40   42   45   49 
LCS_GDT     G   156_A     G   156_A     10   11   37      9   10   10   11   11   11   13   17   19   30   32   33   35   36   38   39   40   42   45   46 
LCS_GDT     L   157_A     L   157_A     10   11   37      9   10   10   11   11   11   13   17   19   22   27   32   35   35   38   39   40   42   45   49 
LCS_GDT     A   158_A     A   158_A     10   11   37      3   10   12   21   23   25   27   29   30   30   32   33   35   36   38   39   40   42   45   48 
LCS_GDT     V   159_A     V   159_A      4   15   37      3    3    4    4   19   25   27   29   30   30   32   33   35   36   38   39   40   42   45   49 
LCS_GDT     R   160_A     R   160_A     12   20   37      9   12   14   15   19   23   26   29   30   30   32   33   35   35   36   37   39   41   44   49 
LCS_GDT     R   161_A     R   161_A     12   20   37      9   12   14   15   19   21   24   28   30   30   31   33   34   35   36   37   38   41   43   49 
LCS_GDT     K   162_A     K   162_A     12   20   37      8   12   14   15   19   22   26   29   30   30   32   33   35   35   36   37   39   41   44   49 
LCS_GDT     V   163_A     V   163_A     12   20   37      9   12   14   17   23   25   27   29   30   30   32   33   35   36   38   39   41   45   49   53 
LCS_GDT     C   164_A     C   164_A     12   20   37      9   12   14   15   19   23   27   29   30   30   32   33   35   35   38   39   40   44   49   53 
LCS_GDT     K   165_A     K   165_A     12   20   37      9   12   14   15   19   23   27   29   30   30   32   33   35   35   37   37   40   45   49   53 
LCS_GDT     L   166_A     L   166_A     12   22   37      9   12   14   15   23   25   27   29   30   30   32   33   35   36   38   39   41   45   49   53 
LCS_GDT     V   167_A     V   167_A     12   22   37      9   12   14   21   23   25   27   29   30   30   32   33   35   36   38   39   41   45   49   53 
LCS_GDT     Q   168_A     Q   168_A     12   22   37      9   12   14   15   21   25   27   29   30   30   32   33   35   36   38   39   41   45   49   53 
LCS_GDT     D   169_A     D   169_A     12   22   37      9   12   14   21   23   25   27   29   30   30   32   33   35   36   38   39   41   45   49   53 
LCS_GDT     G   170_A     G   170_A     13   22   37      9   12   17   21   23   25   27   29   30   30   32   33   35   36   38   39   41   45   49   53 
LCS_GDT     H   171_A     H   171_A     16   22   37      6   15   17   21   23   25   27   29   30   30   32   33   35   36   38   39   41   45   49   53 
LCS_GDT     I   172_A     I   172_A     16   22   37      3    6   14   21   23   25   27   29   30   30   32   33   35   36   38   39   41   45   49   53 
LCS_GDT     D   173_A     D   173_A     16   22   37      3   15   17   21   23   25   27   29   30   30   32   33   35   36   38   39   41   45   49   53 
LCS_GDT     E   174_A     E   174_A     16   22   37     12   15   17   21   23   25   27   29   30   30   32   33   35   36   38   39   41   45   49   53 
LCS_GDT     T   175_A     T   175_A     16   22   37     12   15   17   21   23   25   27   29   30   30   32   33   35   36   38   39   41   45   49   53 
LCS_GDT     V   176_A     V   176_A     16   22   37     12   15   17   21   23   25   27   29   30   30   32   33   35   36   38   39   41   45   49   53 
LCS_GDT     Y   177_A     Y   177_A     16   22   37     12   15   17   21   23   25   27   29   30   30   32   33   35   36   38   39   41   45   49   53 
LCS_GDT     R   178_A     R   178_A     16   22   37     12   15   17   21   23   25   27   29   30   30   32   33   35   36   38   39   41   45   49   53 
LCS_GDT     A   179_A     A   179_A     16   22   37     12   15   17   21   23   25   27   29   30   30   32   33   35   36   38   39   41   45   49   53 
LCS_GDT     L   180_A     L   180_A     16   22   37     12   15   17   21   23   25   27   29   30   30   32   33   35   36   38   39   41   45   49   53 
LCS_GDT     D   181_A     D   181_A     16   22   37     12   15   17   21   23   25   27   29   30   30   32   33   35   36   38   39   41   45   49   53 
LCS_GDT     E   182_A     E   182_A     16   22   37     12   15   17   21   23   25   27   29   30   30   32   33   35   36   38   39   41   45   49   53 
LCS_GDT     M   183_A     M   183_A     16   22   37     12   15   17   21   23   25   27   29   30   30   32   33   35   36   38   39   41   45   49   53 
LCS_GDT     A   184_A     A   184_A     16   22   37     12   15   17   21   23   25   27   29   30   30   32   33   35   36   38   39   41   45   49   53 
LCS_GDT     A   185_A     A   185_A     16   22   37     12   15   17   21   23   25   27   29   30   30   32   33   35   36   38   39   41   45   49   53 
LCS_GDT     G   186_A     G   186_A     16   22   37      6   15   17   21   23   25   27   29   30   30   32   33   35   36   38   39   40   45   49   53 
LCS_GDT     A   187_A     A   187_A     15   22   37      0    0    8   21   23   25   27   29   30   30   32   33   35   36   38   39   40   42   45   47 
LCS_AVERAGE  LCS_A:  15.37  (   8.81   12.52   24.78 )

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     12     16     17     21     23     25     27     29     30     30     32     33     36     37     40     42     43     45     49     53 
GDT PERCENT_AT   9.52  12.70  13.49  16.67  18.25  19.84  21.43  23.02  23.81  23.81  25.40  26.19  28.57  29.37  31.75  33.33  34.13  35.71  38.89  42.06
GDT RMS_LOCAL    0.33   0.54   0.71   1.53   1.73   1.92   2.23   2.49   2.63   2.54   2.93   3.03   4.52   4.55   5.02   5.34   5.49   6.62   6.79   7.19
GDT RMS_ALL_AT  23.74  29.05  28.81  28.04  28.72  29.29  30.02  30.88  31.33  28.59  29.60  29.23  27.98  28.06  27.89  27.77  27.14  15.06  15.66  14.81

# Checking swapping
#   possible swapping detected:  E    74_A      E    74_A
#   possible swapping detected:  Y    82_A      Y    82_A
#   possible swapping detected:  E    89_A      E    89_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:  D   181_A      D   181_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    R    59_A      R    59_A    47.636     6    0.133   0.145    49.789    0.000    0.000
LGA    R    60_A      R    60_A    49.098     6    0.604   0.553    51.864    0.000    0.000
LGA    V    61_A      V    61_A    45.074     0    0.603   0.652    46.619    0.000    0.000
LGA    K    62_A      K    62_A    43.531     0    0.622   0.621    44.442    0.000    0.000
LGA    L    63_A      L    63_A    42.590     0    0.649   0.509    47.754    0.000    0.000
LGA    R    64_A      R    64_A    35.752     6    0.591   0.589    38.439    0.000    0.000
LGA    K    65_A      K    65_A    36.028     0    0.069   0.262    38.100    0.000    0.000
LGA    H    66_A      H    66_A    38.936     0    0.182   0.151    40.885    0.000    0.000
LGA    L    67_A      L    67_A    38.122     0    0.637   0.631    39.617    0.000    0.000
LGA    V    68_A      V    68_A    37.279     0    0.616   0.965    38.257    0.000    0.000
LGA    E    69_A      E    69_A    40.047     0    0.646   1.157    41.499    0.000    0.000
LGA    I    70_A      I    70_A    45.365     0    0.626   0.714    49.191    0.000    0.000
LGA    N    71_A      N    71_A    43.191     0    0.104   0.340    44.715    0.000    0.000
LGA    A    72_A      A    72_A    43.981     0    0.556   0.545    44.347    0.000    0.000
LGA    D    73_A      D    73_A    42.681     0    0.433   1.149    43.716    0.000    0.000
LGA    E    74_A      E    74_A    46.371     0    0.118   0.833    52.062    0.000    0.000
LGA    I    75_A      I    75_A    46.984     0    0.589   0.530    51.288    0.000    0.000
LGA    T    76_A      T    76_A    41.352     0    0.219   1.107    43.192    0.000    0.000
LGA    I    77_A      I    77_A    39.326     0    0.650   0.747    40.241    0.000    0.000
LGA    T    78_A      T    78_A    38.544     0    0.606   1.061    39.950    0.000    0.000
LGA    L    79_A      L    79_A    38.754     0    0.599   1.044    44.382    0.000    0.000
LGA    S    80_A      S    80_A    32.215     0    0.566   0.909    34.694    0.000    0.000
LGA    R    81_A      R    81_A    31.227     0    0.069   1.104    33.067    0.000    0.000
LGA    Y    82_A      Y    82_A    35.432     0    0.656   0.444    36.680    0.000    0.000
LGA    T    83_A      T    83_A    39.056     0    0.644   0.940    42.004    0.000    0.000
LGA    S    84_A      S    84_A    43.027     0    0.146   0.532    46.521    0.000    0.000
LGA    P    85_A      P    85_A    44.502     0    0.028   0.079    46.562    0.000    0.000
LGA    E    86_A      E    86_A    49.446     0    0.076   1.287    52.980    0.000    0.000
LGA    A    87_A      A    87_A    47.115     0    0.074   0.067    47.806    0.000    0.000
LGA    L    88_A      L    88_A    43.750     0    0.054   0.995    45.049    0.000    0.000
LGA    E    89_A      E    89_A    47.928     0    0.038   1.438    52.301    0.000    0.000
LGA    R    90_A      R    90_A    50.580     0    0.058   1.392    53.356    0.000    0.000
LGA    S    91_A      S    91_A    45.812     0    0.079   0.667    47.438    0.000    0.000
LGA    I    92_A      I    92_A    45.564     0    0.094   1.337    48.037    0.000    0.000
LGA    T    93_A      T    93_A    51.035     0    0.033   0.066    54.645    0.000    0.000
LGA    A    94_A      A    94_A    50.075     0    0.106   0.118    50.307    0.000    0.000
LGA    L    95_A      L    95_A    46.098     0    0.047   0.089    47.301    0.000    0.000
LGA    A    96_A      A    96_A    49.310     0    0.065   0.079    50.695    0.000    0.000
LGA    A    97_A      A    97_A    52.615     0    0.096   0.117    53.758    0.000    0.000
LGA    M    98_A      M    98_A    49.213     0    0.125   0.260    50.110    0.000    0.000
LGA    T    99_A      T    99_A    46.887     0    0.087   1.157    48.470    0.000    0.000
LGA    G   100_A      G   100_A    51.946     0    0.126   0.126    53.767    0.000    0.000
LGA    H   101_A      H   101_A    52.547     5    0.087   0.109    52.547    0.000    0.000
LGA    A   102_A      A   102_A    53.098     0    0.165   0.247    55.015    0.000    0.000
LGA    P   103_A      P   103_A    48.449     0    0.078   0.576    50.485    0.000    0.000
LGA    S   104_A      S   104_A    50.605     0    0.073   0.144    54.546    0.000    0.000
LGA    S   105_A      S   105_A    49.043     0    0.056   0.686    51.508    0.000    0.000
LGA    I   106_A      I   106_A    42.807     0    0.045   0.060    45.485    0.000    0.000
LGA    K   107_A      K   107_A    41.141     0    0.053   0.746    47.365    0.000    0.000
LGA    E   108_A      E   108_A    41.983     3    0.055   0.079    44.349    0.000    0.000
LGA    E   109_A      E   109_A    39.370     0    0.058   0.137    45.809    0.000    0.000
LGA    C   110_A      C   110_A    34.539     0    0.042   0.071    36.577    0.000    0.000
LGA    V   111_A      V   111_A    33.296     0    0.042   0.131    35.789    0.000    0.000
LGA    E   112_A      E   112_A    32.740     0    0.041   0.666    38.173    0.000    0.000
LGA    L   113_A      L   113_A    31.811     0    0.146   0.155    36.274    0.000    0.000
LGA    I   114_A      I   114_A    27.642     0    0.092   1.148    29.535    0.000    0.000
LGA    D   115_A      D   115_A    26.194     0    0.215   0.494    27.827    0.000    0.000
LGA    K   116_A      K   116_A    25.631     2    0.216   0.698    28.319    0.000    0.000
LGA    L   117_A      L   117_A    23.684     0    0.624   0.685    27.521    0.000    0.000
LGA    D   118_A      D   118_A    17.407     0    0.581   1.046    19.431    0.000    0.000
LGA    W   119_A      W   119_A    16.756     0    0.583   1.336    25.207    0.000    0.000
LGA    L   120_A      L   120_A    16.511     0    0.620   1.234    19.663    0.000    0.000
LGA    R   121_A      R   121_A    12.877     0    0.663   1.087    24.546    0.476    0.173
LGA    V   122_A      V   122_A     6.027     0    0.081   0.082     8.750   16.905   19.456
LGA    E   123_A      E   123_A     7.163     4    0.297   0.402    11.360    6.905    4.180
LGA    N   124_A      N   124_A    12.839     0    0.167   0.211    16.275    0.000    0.000
LGA    D   125_A      D   125_A    15.814     0    0.204   1.131    19.428    0.000    0.000
LGA    V   126_A      V   126_A    19.219     0    0.633   0.597    21.850    0.000    0.000
LGA    I   127_A      I   127_A    21.782     0    0.521   0.942    24.923    0.000    0.000
LGA    Q   128_A      Q   128_A    23.643     0    0.612   1.908    25.059    0.000    0.000
LGA    Y   129_A      Y   129_A    22.370     0    0.088   0.285    23.503    0.000    0.000
LGA    P   130_A      P   130_A    24.058     0    0.075   0.626    26.307    0.000    0.000
LGA    T   131_A      T   131_A    22.016     0    0.084   1.096    22.686    0.000    0.000
LGA    L   132_A      L   132_A    18.954     0    0.063   1.385    20.013    0.000    0.000
LGA    S   133_A      S   133_A    20.917     0    0.031   0.661    22.188    0.000    0.000
LGA    K   134_A      K   134_A    23.186     4    0.099   0.095    24.396    0.000    0.000
LGA    L   135_A      L   135_A    20.811     0    0.065   1.081    21.439    0.000    0.000
LGA    L   136_A      L   136_A    18.846     0    0.147   1.269    19.525    0.000    0.000
LGA    E   137_A      E   137_A    21.704     4    0.097   0.113    23.366    0.000    0.000
LGA    L   138_A      L   138_A    22.193     3    0.069   0.066    22.622    0.000    0.000
LGA    Y   139_A      Y   139_A    18.406     0    0.073   1.264    20.115    0.000    0.000
LGA    N   140_A      N   140_A    17.900     0    0.068   0.880    19.259    0.000    0.000
LGA    S   141_A      S   141_A    22.055     0    0.054   0.673    23.799    0.000    0.000
LGA    Q   142_A      Q   142_A    22.074     4    0.177   0.171    22.074    0.000    0.000
LGA    N   143_A      N   143_A    17.728     3    0.529   0.478    19.414    0.000    0.000
LGA    H   147_A      H   147_A    20.190     0    0.137   1.193    27.896    0.000    0.000
LGA    L   148_A      L   148_A    16.622     0    0.630   1.300    18.247    0.000    0.000
LGA    S   149_A      S   149_A    19.813     0    0.597   0.535    20.987    0.000    0.000
LGA    I   150_A      I   150_A    20.388     0    0.037   0.975    24.900    0.000    0.000
LGA    E   151_A      E   151_A    15.311     0    0.039   1.648    17.318    0.000    0.000
LGA    K   152_A      K   152_A    10.861     0    0.076   0.741    12.731    0.119    0.053
LGA    L   153_A      L   153_A    14.544     0    0.034   1.423    20.690    0.000    0.000
LGA    I   154_A      I   154_A    12.940     0    0.024   0.101    19.521    0.714    0.357
LGA    A   155_A      A   155_A     6.390     0    0.040   0.039     8.944   27.143   25.143
LGA    G   156_A      G   156_A     6.614     0    0.057   0.057     7.019   13.452   13.452
LGA    L   157_A      L   157_A     8.764     0    0.175   0.189    15.956   10.476    5.238
LGA    A   158_A      A   158_A     3.003     0    0.195   0.197     5.051   51.548   49.905
LGA    V   159_A      V   159_A     2.985     0    0.236   1.266     7.224   54.048   42.109
LGA    R   160_A      R   160_A     4.223     0    0.471   1.569     8.146   39.286   27.100
LGA    R   161_A      R   161_A     5.627     0    0.070   1.039    10.484   27.619   12.338
LGA    K   162_A      K   162_A     4.532     0    0.101   1.194    13.032   40.714   23.651
LGA    V   163_A      V   163_A     1.449     0    0.059   0.094     2.611   73.214   76.735
LGA    C   164_A      C   164_A     3.395     0    0.025   0.029     5.235   51.786   44.127
LGA    K   165_A      K   165_A     3.582     0    0.083   0.713     6.274   56.071   38.095
LGA    L   166_A      L   166_A     1.942     0    0.081   0.886     4.993   72.976   58.690
LGA    V   167_A      V   167_A     1.665     0    0.052   0.093     3.534   73.333   67.755
LGA    Q   168_A      Q   168_A     2.298     0    0.052   1.273     5.582   72.976   57.566
LGA    D   169_A      D   169_A     0.933     0    0.162   0.315     2.949   81.667   74.286
LGA    G   170_A      G   170_A     3.129     0    0.719   0.719     4.232   50.476   50.476
LGA    H   171_A      H   171_A     2.698     0    0.108   1.330     8.262   65.357   41.857
LGA    I   172_A      I   172_A     2.065     0    0.079   0.745     4.591   66.786   57.857
LGA    D   173_A      D   173_A     0.932     0    0.236   1.106     4.070   85.952   74.167
LGA    E   174_A      E   174_A     2.290     4    0.065   0.067     3.449   68.929   36.190
LGA    T   175_A      T   175_A     2.283     0    0.054   1.193     5.746   72.976   62.313
LGA    V   176_A      V   176_A     1.575     0    0.093   1.106     5.023   81.548   71.429
LGA    Y   177_A      Y   177_A     2.078     7    0.056   0.055     2.760   70.952   28.413
LGA    R   178_A      R   178_A     2.008     0    0.034   1.005     9.069   75.119   42.294
LGA    A   179_A      A   179_A     1.235     0    0.027   0.033     2.079   83.690   79.905
LGA    L   180_A      L   180_A     2.089     0    0.049   0.209     3.290   68.929   62.143
LGA    D   181_A      D   181_A     2.353     0    0.055   0.214     5.101   70.833   53.512
LGA    E   182_A      E   182_A     1.089     0    0.037   1.078     6.476   88.214   59.947
LGA    M   183_A      M   183_A     2.415     0    0.051   0.170     5.049   67.024   52.381
LGA    A   184_A      A   184_A     3.103     0    0.039   0.048     3.726   55.476   53.048
LGA    A   185_A      A   185_A     1.557     0    0.249   0.270     1.746   77.262   76.381
LGA    G   186_A      G   186_A     1.744     0    0.564   0.564     3.834   65.595   65.595
LGA    A   187_A      A   187_A     2.656     0    0.216   0.321     4.328   63.333   58.095

# 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):    13.541         13.442                 14.044           16.269   13.225

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  187  126    4.0     29    2.49    21.429    19.138     1.121

LGA_LOCAL      RMSD:   2.488  Number of atoms:   29  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  30.878  Number of assigned atoms:  126 
Std_ASGN_ATOMS RMSD:  13.541  Standard rmsd on all 126 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.335035 * X  +   0.724198 * Y  +  -0.602734 * Z  +  -0.360444
  Y_new =  -0.791018 * X  +  -0.563745 * Y  +  -0.237658 * Z  +  38.178886
  Z_new =  -0.511900 * X  +   0.397150 * Y  +   0.761728 * Z  +  14.680538 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.971437  0.537395  0.480605   [DEG: -112.9550   30.7905   27.5367 ]
ZXZ: -1.195214  0.704820 -0.910964   [DEG:  -68.4807   40.3832  -52.1944 ]
 
# END of job
