
#######################################################
#                                                     #
#                        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:    35     153_A - 187_A       4.94    29.93
  LCS_AVERAGE:     23.86

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    20      81_A - 100_A       1.74    29.20
  LCS_AVERAGE:     10.18

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    18      83_A - 100_A       0.87    29.26
  LCS_AVERAGE:      7.70

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  126
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     R    59_A     R    59_A      3    4   10      0    3    3    3    5    6    8   10   11   13   14   18   20   24   27   30   37   40   44   50 
LCS_GDT     R    60_A     R    60_A      3    4   10      1    3    4    5    5    6    8   10   14   17   19   20   22   24   28   34   37   41   45   50 
LCS_GDT     V    61_A     V    61_A      3    4   10      3    3    4    5    6    8    8   10   12   16   19   20   22   24   30   36   42   47   49   52 
LCS_GDT     K    62_A     K    62_A      3    4   10      3    3    4    5    5    6    7   12   14   18   22   25   27   33   37   41   44   47   49   55 
LCS_GDT     L    63_A     L    63_A      3    3   10      3    3    4    4    5    6   10   13   16   18   22   25   27   33   37   41   44   47   49   55 
LCS_GDT     R    64_A     R    64_A      4    5   10      3    4    4    5    6    7   10   13   16   18   22   25   28   33   37   41   44   47   49   55 
LCS_GDT     K    65_A     K    65_A      4    5   10      3    4    4    5    6    6    8    9   11   12   15   16   23   25   27   30   34   41   47   52 
LCS_GDT     H    66_A     H    66_A      4    5   11      3    4    4    5    6    6    7    8   11   12   13   14   17   17   19   23   26   35   37   42 
LCS_GDT     L    67_A     L    67_A      4    5   11      3    4    4    5    6    7    8    9   13   15   18   22   24   29   37   41   44   46   49   55 
LCS_GDT     V    68_A     V    68_A      3    5   11      1    3    3    6    6    7    9   13   16   18   22   25   28   33   37   41   44   47   49   55 
LCS_GDT     E    69_A     E    69_A      3    5   33      0    3    3    4    5    7    8   11   13   18   22   25   28   33   37   41   44   47   49   55 
LCS_GDT     I    70_A     I    70_A      4    5   33      1    3    4    4    6    7   10   13   17   19   23   27   31   35   38   41   44   47   49   55 
LCS_GDT     N    71_A     N    71_A      4    5   33      1    3    4    9   11   16   20   22   24   27   29   32   34   36   38   41   44   47   49   55 
LCS_GDT     A    72_A     A    72_A      4    5   33      3    4    4    5    5    7   12   17   23   27   29   32   34   36   38   39   41   45   49   53 
LCS_GDT     D    73_A     D    73_A      4    5   33      3    4    4    5    5    7    8   11   23   24   26   29   32   33   36   38   40   41   46   47 
LCS_GDT     E    74_A     E    74_A      4    5   33      3    4    4    5    5    7    8    8   13   24   24   26   27   30   32   33   36   45   48   52 
LCS_GDT     I    75_A     I    75_A      4    5   33      3    4    4    5    5    5   11   19   23   24   28   30   33   35   38   38   41   45   49   52 
LCS_GDT     T    76_A     T    76_A      3    5   33      1    4    4    5    7    9   21   22   24   27   29   32   34   36   38   39   41   45   49   52 
LCS_GDT     I    77_A     I    77_A      3    3   33      1    6   18   19   20   20   22   23   24   27   29   32   34   36   38   39   42   46   49   55 
LCS_GDT     T    78_A     T    78_A      3    3   33      8   17   18   19   20   20   22   23   24   27   29   32   34   36   38   39   41   45   49   55 
LCS_GDT     L    79_A     L    79_A      3    4   33      0    3    5   15   18   20   22   23   24   27   29   32   34   36   38   39   44   47   49   55 
LCS_GDT     S    80_A     S    80_A      3    5   33      3    3    4    6    8   10   12   19   20   25   29   32   34   36   38   41   44   47   49   55 
LCS_GDT     R    81_A     R    81_A      3   20   33      3    3    4    6    9   11   17   23   24   27   29   32   34   36   38   41   44   47   49   55 
LCS_GDT     Y    82_A     Y    82_A      3   20   33      3    3    4    6    9   13   22   23   24   27   29   32   34   36   38   41   44   46   49   55 
LCS_GDT     T    83_A     T    83_A     18   20   33      3    4   10   19   20   20   22   23   24   27   29   32   34   36   38   39   41   45   49   53 
LCS_GDT     S    84_A     S    84_A     18   20   33      9   17   18   19   20   20   22   23   24   27   29   32   34   36   38   39   41   45   49   53 
LCS_GDT     P    85_A     P    85_A     18   20   33     12   17   18   19   20   20   22   23   24   27   29   32   34   36   38   39   41   45   49   52 
LCS_GDT     E    86_A     E    86_A     18   20   33     13   17   18   19   20   20   22   23   24   27   29   32   34   36   38   39   41   42   49   52 
LCS_GDT     A    87_A     A    87_A     18   20   33     13   17   18   19   20   20   22   23   24   27   29   32   34   36   38   39   41   45   49   52 
LCS_GDT     L    88_A     L    88_A     18   20   33     13   17   18   19   20   20   22   23   24   27   29   32   34   36   38   39   41   45   49   52 
LCS_GDT     E    89_A     E    89_A     18   20   33     13   17   18   19   20   20   22   23   24   27   29   32   34   36   38   39   41   42   46   47 
LCS_GDT     R    90_A     R    90_A     18   20   33     13   17   18   19   20   20   22   23   24   27   29   32   34   36   38   39   41   42   46   47 
LCS_GDT     S    91_A     S    91_A     18   20   33     13   17   18   19   20   20   22   23   24   27   29   32   34   36   38   39   41   42   46   50 
LCS_GDT     I    92_A     I    92_A     18   20   33     13   17   18   19   20   20   22   23   24   27   29   32   34   36   38   39   41   42   46   47 
LCS_GDT     T    93_A     T    93_A     18   20   33     13   17   18   19   20   20   22   23   24   27   29   32   34   36   38   39   41   42   46   47 
LCS_GDT     A    94_A     A    94_A     18   20   33     13   17   18   19   20   20   22   23   24   27   29   32   34   36   38   39   41   42   46   47 
LCS_GDT     L    95_A     L    95_A     18   20   33     13   17   18   19   20   20   22   23   24   27   29   32   34   36   38   39   41   42   46   47 
LCS_GDT     A    96_A     A    96_A     18   20   33     13   17   18   19   20   20   22   23   24   27   29   32   34   36   38   39   41   42   46   47 
LCS_GDT     A    97_A     A    97_A     18   20   33     13   17   18   19   20   20   22   23   24   27   29   32   34   36   38   39   41   42   46   47 
LCS_GDT     M    98_A     M    98_A     18   20   33     13   17   18   19   20   20   22   23   24   27   29   32   34   36   38   39   41   42   46   47 
LCS_GDT     T    99_A     T    99_A     18   20   33     13   17   18   19   20   20   22   23   24   27   28   31   33   35   38   39   41   42   44   47 
LCS_GDT     G   100_A     G   100_A     18   20   33      3   13   18   19   20   20   22   23   24   27   29   32   34   36   38   39   41   42   46   47 
LCS_GDT     H   101_A     H   101_A     11   14   33      4    9   11   12   12   15   16   22   24   27   29   32   34   36   38   39   41   42   46   47 
LCS_GDT     A   102_A     A   102_A     11   14   33      8    9   11   12   12   15   16   16   18   22   25   28   33   36   38   39   41   42   46   47 
LCS_GDT     P   103_A     P   103_A     11   14   33      8    9   11   12   12   15   16   16   18   19   22   24   27   30   31   35   39   41   46   47 
LCS_GDT     S   104_A     S   104_A     11   14   24      8    9   11   12   12   15   16   16   18   19   22   24   27   29   31   33   36   40   43   47 
LCS_GDT     S   105_A     S   105_A     11   14   24      8    9   11   12   12   15   16   16   18   19   23   27   31   35   38   39   41   42   46   47 
LCS_GDT     I   106_A     I   106_A     11   14   25      8    9   11   12   12   15   16   16   18   22   26   32   34   36   38   39   41   42   46   47 
LCS_GDT     K   107_A     K   107_A     11   14   25      8    9   11   12   12   15   16   16   18   19   22   24   27   31   34   37   40   42   46   47 
LCS_GDT     E   108_A     E   108_A     11   14   25      8    9   11   12   12   15   16   16   18   19   21   24   28   32   36   39   40   42   46   47 
LCS_GDT     E   109_A     E   109_A     11   14   25      8    9   11   12   12   15   16   17   20   25   29   32   34   36   38   39   41   42   46   47 
LCS_GDT     C   110_A     C   110_A     11   14   25      6    9   11   12   12   15   16   16   18   19   23   28   32   36   38   39   41   42   46   47 
LCS_GDT     V   111_A     V   111_A     11   14   25      3    9   11   12   12   15   16   16   18   19   22   27   31   35   38   39   41   42   46   48 
LCS_GDT     E   112_A     E   112_A      7   14   25      6    7    8   12   12   15   16   19   22   25   29   32   34   36   38   39   41   42   46   48 
LCS_GDT     L   113_A     L   113_A      7   14   25      6    7   10   12   12   15   16   21   23   26   29   32   34   36   38   39   41   42   46   49 
LCS_GDT     I   114_A     I   114_A      7   14   25      6    7    8    9   12   15   16   16   18   19   23   27   34   36   38   39   41   42   46   49 
LCS_GDT     D   115_A     D   115_A      7   10   25      6    7    8    8   11   14   16   16   23   26   29   32   34   36   38   39   41   42   46   48 
LCS_GDT     K   116_A     K   116_A      7   10   25      6    7    8    9   12   15   16   16   18   23   28   31   34   36   38   39   41   42   46   49 
LCS_GDT     L   117_A     L   117_A      7   10   25      6    7    8    8   10   13   15   16   18   19   22   24   27   29   32   35   39   41   46   52 
LCS_GDT     D   118_A     D   118_A      7   10   28      0    4    8    8   10   13   15   16   18   19   22   24   28   32   36   38   39   41   46   51 
LCS_GDT     W   119_A     W   119_A      3    8   28      3    3    4    8   12   13   13   16   17   20   22   27   30   33   36   38   44   47   49   55 
LCS_GDT     L   120_A     L   120_A      3    5   28      3    4    6    9   12   13   14   18   20   23   26   29   31   34   36   38   44   47   49   55 
LCS_GDT     R   121_A     R   121_A      3    5   28      1    3    3    6   16   17   17   19   22   27   30   31   33   34   36   38   44   47   49   55 
LCS_GDT     V   122_A     V   122_A      3    5   28      0    3    8   11   13   15   17   20   22   27   30   31   33   34   36   38   44   47   49   55 
LCS_GDT     E   123_A     E   123_A      3    5   28      3    3    4    5   13   15   16   20   21   24   30   31   33   34   36   38   44   47   49   55 
LCS_GDT     N   124_A     N   124_A      3    5   28      3    3    5    8   12   13   13   20   21   23   26   29   33   34   36   38   44   47   49   55 
LCS_GDT     D   125_A     D   125_A      3    4   28      3    3    4    8   12   13   13   18   20   24   30   31   33   34   37   41   44   47   49   55 
LCS_GDT     V   126_A     V   126_A      3    4   29      3    3    4    5    6   11   16   20   21   26   30   31   33   34   37   41   44   47   49   55 
LCS_GDT     I   127_A     I   127_A      3   16   29      3    3    4    8   13   15   17   20   22   27   30   31   33   34   37   41   44   47   49   55 
LCS_GDT     Q   128_A     Q   128_A     14   16   29      8   13   14   14   16   17   18   19   22   27   30   31   33   34   37   41   44   47   49   55 
LCS_GDT     Y   129_A     Y   129_A     14   16   29     11   13   14   14   16   17   17   19   22   27   30   31   33   34   36   38   41   45   49   53 
LCS_GDT     P   130_A     P   130_A     14   16   29     11   13   14   14   16   17   18   19   22   27   30   31   33   34   36   38   41   45   49   52 
LCS_GDT     T   131_A     T   131_A     14   16   29     11   13   14   14   16   17   18   20   22   27   30   31   33   34   37   41   44   46   49   55 
LCS_GDT     L   132_A     L   132_A     14   16   29     11   13   14   14   16   17   18   20   22   27   30   31   33   34   37   41   44   47   49   55 
LCS_GDT     S   133_A     S   133_A     14   16   29     11   13   14   14   16   17   18   20   22   27   30   31   33   34   36   38   39   45   49   52 
LCS_GDT     K   134_A     K   134_A     14   16   29     11   13   14   14   16   17   18   20   22   27   30   31   33   34   36   38   39   40   42   48 
LCS_GDT     L   135_A     L   135_A     14   16   29     11   13   14   14   16   17   18   20   22   27   30   31   33   34   37   41   44   46   49   55 
LCS_GDT     L   136_A     L   136_A     14   16   29     11   13   14   14   16   17   18   20   22   27   30   31   33   34   36   41   44   46   49   53 
LCS_GDT     E   137_A     E   137_A     14   16   30     11   13   14   14   16   17   18   20   22   27   30   31   33   34   36   38   39   40   42   48 
LCS_GDT     L   138_A     L   138_A     14   16   32     11   13   14   14   16   17   18   20   22   27   30   31   33   34   36   38   39   40   42   48 
LCS_GDT     Y   139_A     Y   139_A     14   16   32     11   13   14   14   16   17   18   20   22   27   30   31   33   34   36   41   44   46   48   54 
LCS_GDT     N   140_A     N   140_A     14   16   32      6   13   14   14   16   17   18   20   22   27   30   31   33   34   36   38   39   41   44   48 
LCS_GDT     S   141_A     S   141_A     14   16   32      4   10   14   14   16   17   18   20   22   27   30   31   33   34   36   38   39   40   42   48 
LCS_GDT     Q   142_A     Q   142_A      3   16   32      3    3    3   12   15   17   18   19   22   27   30   31   33   34   36   38   38   40   42   48 
LCS_GDT     N   143_A     N   143_A      3   16   32      3    3    4    5    7   10   13   17   20   27   30   31   33   34   36   38   39   40   42   48 
LCS_GDT     H   147_A     H   147_A      3    4   32      1    3    5    6    8   10   13   17   20   23   26   30   31   34   37   41   44   47   49   55 
LCS_GDT     L   148_A     L   148_A      3   11   32      0    3    5    6    7   10   13   17   20   23   26   30   31   34   37   41   44   47   49   55 
LCS_GDT     S   149_A     S   149_A     10   11   32      9   10   10   10   10   10   13   16   19   23   26   30   31   34   37   41   44   47   49   55 
LCS_GDT     I   150_A     I   150_A     10   11   32      9   10   10   10   10   11   13   18   19   22   25   27   31   34   36   41   44   47   49   55 
LCS_GDT     E   151_A     E   151_A     10   11   32      9   10   10   10   10   11   13   18   19   22   26   30   31   34   36   38   44   47   49   55 
LCS_GDT     K   152_A     K   152_A     10   11   32      9   10   10   10   10   10   13   18   20   23   26   30   31   34   36   38   39   43   48   55 
LCS_GDT     L   153_A     L   153_A     10   11   35      9   10   10   10   10   10   13   17   20   23   26   30   31   34   36   38   44   47   49   55 
LCS_GDT     I   154_A     I   154_A     10   11   35      9   10   10   10   10   17   18   18   20   23   26   30   31   34   36   38   44   47   49   55 
LCS_GDT     A   155_A     A   155_A     10   11   35      9   15   16   16   16   17   21   21   24   26   27   30   31   34   36   38   39   40   43   46 
LCS_GDT     G   156_A     G   156_A     10   11   35      9   10   10   10   10   11   13   18   20   23   26   30   31   34   36   38   39   40   43   44 
LCS_GDT     L   157_A     L   157_A     10   11   35      9   10   10   10   10   11   13   17   20   23   26   30   31   34   36   38   39   40   43   44 
LCS_GDT     A   158_A     A   158_A     10   11   35      8   10   10   13   18   19   21   23   24   27   29   30   31   34   36   38   39   40   43   44 
LCS_GDT     V   159_A     V   159_A      4   11   35      3    4    5   10   15   19   21   23   26   28   29   30   31   34   36   37   39   40   43   44 
LCS_GDT     R   160_A     R   160_A      8   13   35      8    9    9   11   14   19   21   23   26   28   30   31   33   34   36   37   39   40   43   45 
LCS_GDT     R   161_A     R   161_A      8   13   35      8    9    9   11   14   16   20   23   26   28   30   31   33   34   36   37   38   40   43   44 
LCS_GDT     K   162_A     K   162_A      8   13   35      8    9    9   11   14   16   20   23   26   28   30   31   33   34   36   37   38   40   43   45 
LCS_GDT     V   163_A     V   163_A      8   13   35      8    9    9   13   18   19   21   23   26   28   30   31   33   34   36   38   44   47   49   55 
LCS_GDT     C   164_A     C   164_A      8   13   35      8    9    9   11   14   19   21   23   26   28   29   30   32   34   36   37   44   47   49   55 
LCS_GDT     K   165_A     K   165_A      8   13   35      8    9    9   11   14   19   21   23   26   28   29   30   31   34   36   38   44   47   49   55 
LCS_GDT     L   166_A     L   166_A      8   13   35      8    9    9   13   18   19   21   23   26   28   29   30   31   34   37   41   44   47   49   55 
LCS_GDT     V   167_A     V   167_A      8   13   35      8    9    9   11   15   19   21   23   26   28   29   30   31   34   37   41   44   47   49   55 
LCS_GDT     Q   168_A     Q   168_A      4   13   35      4    4    7   11   14   16   20   23   26   28   29   30   31   34   36   38   42   47   49   55 
LCS_GDT     D   169_A     D   169_A      4   13   35      4    4    7   11   14   16   20   23   26   28   29   30   31   34   37   41   44   47   49   55 
LCS_GDT     G   170_A     G   170_A      4   13   35      3    4    6   11   14   16   18   21   26   28   29   30   31   34   37   41   44   46   49   53 
LCS_GDT     H   171_A     H   171_A      4   17   35      3    4    4    7   10   15   19   22   26   28   29   30   31   34   37   41   44   46   49   53 
LCS_GDT     I   172_A     I   172_A      3   17   35      3    9    9   11   14   17   18   20   23   27   29   30   31   34   37   41   44   46   49   53 
LCS_GDT     D   173_A     D   173_A     15   17   35     12   15   16   16   18   19   21   23   26   28   29   30   31   33   37   41   44   46   49   55 
LCS_GDT     E   174_A     E   174_A     15   17   35     12   15   16   16   18   19   21   23   26   28   29   30   31   32   37   41   44   46   49   53 
LCS_GDT     T   175_A     T   175_A     15   17   35     12   15   16   16   18   19   21   23   26   28   29   30   31   32   37   41   44   46   49   55 
LCS_GDT     V   176_A     V   176_A     15   17   35     12   15   16   16   18   19   21   23   26   28   29   30   31   34   37   41   44   47   49   55 
LCS_GDT     Y   177_A     Y   177_A     15   17   35     12   15   16   16   18   19   21   23   26   28   29   30   31   33   37   41   44   47   49   55 
LCS_GDT     R   178_A     R   178_A     15   17   35     12   15   16   16   18   19   21   23   26   28   29   30   31   33   37   41   44   47   49   55 
LCS_GDT     A   179_A     A   179_A     15   17   35     12   15   16   16   18   19   21   23   26   28   29   30   32   34   37   41   44   47   49   55 
LCS_GDT     L   180_A     L   180_A     15   17   35     12   15   16   16   18   19   21   23   26   28   30   31   33   34   37   41   44   47   49   55 
LCS_GDT     D   181_A     D   181_A     15   17   35     12   15   16   16   18   19   21   23   26   28   29   31   33   34   37   41   44   47   49   55 
LCS_GDT     E   182_A     E   182_A     15   17   35     12   15   16   16   18   19   21   23   26   28   29   31   33   34   37   41   44   47   49   55 
LCS_GDT     M   183_A     M   183_A     15   17   35     12   15   16   16   18   19   21   23   26   28   30   31   33   34   36   38   44   47   49   55 
LCS_GDT     A   184_A     A   184_A     15   17   35     12   15   16   16   18   19   21   23   26   28   30   31   33   34   36   38   44   47   49   55 
LCS_GDT     A   185_A     A   185_A     15   17   35      4   15   16   16   18   19   21   23   26   28   30   31   33   34   37   41   44   47   49   55 
LCS_GDT     G   186_A     G   186_A     15   17   35      4   15   16   16   18   19   21   23   26   28   29   30   31   32   34   38   44   47   49   55 
LCS_GDT     A   187_A     A   187_A     15   17   35      3   13   16   16   18   19   21   23   26   28   29   30   31   34   36   37   39   40   45   46 
LCS_AVERAGE  LCS_A:  13.91  (   7.70   10.18   23.86 )

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     13     17     18     19     20     20     22     23     26     28     30     32     34     36     38     41     44     47     49     55 
GDT PERCENT_AT  10.32  13.49  14.29  15.08  15.87  15.87  17.46  18.25  20.63  22.22  23.81  25.40  26.98  28.57  30.16  32.54  34.92  37.30  38.89  43.65
GDT RMS_LOCAL    0.35   0.53   0.68   0.79   0.91   0.91   1.55   1.86   2.79   3.12   3.88   4.05   4.34   4.67   4.98   5.89   6.16   6.55   6.69   7.14
GDT RMS_ALL_AT  30.11  29.41  29.30  29.03  28.98  28.98  29.16  29.09  32.59  32.92  25.50  29.03  28.58  28.38  28.23  14.95  14.85  14.18  14.35  14.41

# Checking swapping
#   possible swapping detected:  E    69_A      E    69_A
#   possible swapping detected:  D    73_A      D    73_A
#   possible swapping detected:  Y    82_A      Y    82_A
#   possible swapping detected:  E    86_A      E    86_A
#   possible swapping detected:  Y   139_A      Y   139_A
#   possible swapping detected:  D   181_A      D   181_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    22.677     6    0.090   0.112    23.974    0.000    0.000
LGA    R    60_A      R    60_A    20.530     6    0.687   0.633    21.139    0.000    0.000
LGA    V    61_A      V    61_A    22.198     0    0.549   1.461    26.092    0.000    0.000
LGA    K    62_A      K    62_A    25.570     0    0.605   1.218    32.242    0.000    0.000
LGA    L    63_A      L    63_A    26.682     0    0.640   1.127    28.830    0.000    0.000
LGA    R    64_A      R    64_A    25.879     6    0.545   0.548    26.281    0.000    0.000
LGA    K    65_A      K    65_A    28.966     0    0.032   1.034    37.990    0.000    0.000
LGA    H    66_A      H    66_A    27.532     0    0.142   1.253    32.362    0.000    0.000
LGA    L    67_A      L    67_A    20.437     0    0.574   1.127    23.244    0.000    0.000
LGA    V    68_A      V    68_A    16.904     0    0.635   1.412    18.356    0.000    0.000
LGA    E    69_A      E    69_A    15.274     0    0.637   1.189    17.479    0.000    0.000
LGA    I    70_A      I    70_A    13.629     0    0.603   1.050    19.011    0.000    0.000
LGA    N    71_A      N    71_A     7.710     0    0.460   0.431    10.014    3.452    4.583
LGA    A    72_A      A    72_A     8.433     0    0.560   0.519     8.692    7.976    6.952
LGA    D    73_A      D    73_A     6.826     0    0.344   1.516     8.638   10.952    8.988
LGA    E    74_A      E    74_A     8.517     0    0.157   0.845    12.739    5.119    2.275
LGA    I    75_A      I    75_A     7.222     0    0.576   1.520     9.761   11.071    9.583
LGA    T    76_A      T    76_A     4.626     0    0.615   1.042     6.485   35.833   28.435
LGA    I    77_A      I    77_A     2.508     0    0.638   1.566     8.201   62.976   43.452
LGA    T    78_A      T    78_A     1.074     0    0.629   1.178     3.369   79.405   73.401
LGA    L    79_A      L    79_A     3.385     0    0.633   1.569     8.027   43.333   31.488
LGA    S    80_A      S    80_A     6.382     0    0.641   0.579     8.254   27.976   20.238
LGA    R    81_A      R    81_A     5.027     0    0.091   1.173    12.794   32.024   16.234
LGA    Y    82_A      Y    82_A     4.069     0    0.679   0.933    11.074   40.714   18.532
LGA    T    83_A      T    83_A     2.919     0    0.634   0.577     7.478   67.024   45.918
LGA    S    84_A      S    84_A     0.735     0    0.139   0.562     1.816   90.595   89.206
LGA    P    85_A      P    85_A     0.303     0    0.053   0.340     0.894   97.619   97.279
LGA    E    86_A      E    86_A     0.726     0    0.071   1.478     5.194   88.214   71.270
LGA    A    87_A      A    87_A     0.520     0    0.055   0.052     0.649   90.476   92.381
LGA    L    88_A      L    88_A     0.490     0    0.054   1.416     4.103   95.238   78.155
LGA    E    89_A      E    89_A     0.465     0    0.033   0.956     4.256   97.619   77.354
LGA    R    90_A      R    90_A     0.338     0    0.031   1.428     8.379  100.000   64.805
LGA    S    91_A      S    91_A     0.598     0    0.030   0.642     1.773   90.476   87.540
LGA    I    92_A      I    92_A     1.059     0    0.059   0.159     1.952   85.952   80.476
LGA    T    93_A      T    93_A     1.000     0    0.049   0.949     2.523   90.476   84.422
LGA    A    94_A      A    94_A     0.365     0    0.068   0.084     0.616   97.619   98.095
LGA    L    95_A      L    95_A     0.497     0    0.042   0.196     1.569   95.238   88.393
LGA    A    96_A      A    96_A     1.072     0    0.060   0.077     1.197   83.690   83.238
LGA    A    97_A      A    97_A     1.086     0    0.087   0.090     1.224   83.690   83.238
LGA    M    98_A      M    98_A     0.819     0    0.076   0.979     4.204   90.476   74.940
LGA    T    99_A      T    99_A     0.527     0    0.032   0.079     1.606   90.476   86.667
LGA    G   100_A      G   100_A     1.558     0    0.129   0.129     5.328   56.667   56.667
LGA    H   101_A      H   101_A     8.715     5    0.175   0.266    10.029    6.429    2.571
LGA    A   102_A      A   102_A    14.492     0    0.188   0.276    17.043    0.000    0.000
LGA    P   103_A      P   103_A    17.187     0    0.087   0.102    19.282    0.000    0.000
LGA    S   104_A      S   104_A    21.365     0    0.052   0.087    23.401    0.000    0.000
LGA    S   105_A      S   105_A    16.608     0    0.053   0.691    17.950    0.000    0.000
LGA    I   106_A      I   106_A    12.161     0    0.044   0.101    13.718    0.000    0.000
LGA    K   107_A      K   107_A    17.923     0    0.071   0.847    27.880    0.000    0.000
LGA    E   108_A      E   108_A    18.832     3    0.049   0.134    21.074    0.000    0.000
LGA    E   109_A      E   109_A    12.046     0    0.078   0.924    14.277    0.000    0.265
LGA    C   110_A      C   110_A    12.544     0    0.009   0.779    14.277    0.000    0.000
LGA    V   111_A      V   111_A    16.476     0    0.582   1.424    21.245    0.000    0.000
LGA    E   112_A      E   112_A    11.856     0    0.152   1.134    13.811    0.357    0.159
LGA    L   113_A      L   113_A     8.483     0    0.063   1.006     9.589    2.738    4.702
LGA    I   114_A      I   114_A    11.359     0    0.053   1.081    14.969    0.119    0.060
LGA    D   115_A      D   115_A    10.241     0    0.136   0.692    10.714    0.476    0.238
LGA    K   116_A      K   116_A     8.452     2    0.185   0.796    10.516    2.500    1.640
LGA    L   117_A      L   117_A    12.440     0    0.691   0.644    14.157    0.000    0.000
LGA    D   118_A      D   118_A    14.581     0    0.545   0.715    16.458    0.000    0.000
LGA    W   119_A      W   119_A    16.502     0    0.552   0.482    20.349    0.000    0.272
LGA    L   120_A      L   120_A    23.341     0    0.622   1.126    27.273    0.000    0.000
LGA    R   121_A      R   121_A    25.136     0    0.267   0.943    25.633    0.000    0.000
LGA    V   122_A      V   122_A    27.331     0    0.304   1.192    29.766    0.000    0.000
LGA    E   123_A      E   123_A    28.689     4    0.423   0.449    28.703    0.000    0.000
LGA    N   124_A      N   124_A    26.577     0    0.071   1.302    28.554    0.000    0.000
LGA    D   125_A      D   125_A    29.467     0    0.530   0.897    31.224    0.000    0.000
LGA    V   126_A      V   126_A    26.941     0    0.584   0.534    27.587    0.000    0.000
LGA    I   127_A      I   127_A    24.602     0    0.629   1.670    25.002    0.000    0.000
LGA    Q   128_A      Q   128_A    24.378     0    0.592   1.116    26.950    0.000    0.000
LGA    Y   129_A      Y   129_A    25.573     0    0.044   1.514    27.715    0.000    0.000
LGA    P   130_A      P   130_A    27.363     0    0.057   0.263    29.572    0.000    0.000
LGA    T   131_A      T   131_A    28.953     0    0.042   1.058    31.221    0.000    0.000
LGA    L   132_A      L   132_A    30.393     0    0.081   0.936    32.451    0.000    0.000
LGA    S   133_A      S   133_A    30.767     0    0.072   0.615    33.263    0.000    0.000
LGA    K   134_A      K   134_A    33.091     4    0.082   0.083    36.064    0.000    0.000
LGA    L   135_A      L   135_A    35.499     0    0.040   1.394    37.783    0.000    0.000
LGA    L   136_A      L   136_A    36.187     0    0.043   1.488    38.315    0.000    0.000
LGA    E   137_A      E   137_A    37.265     4    0.074   0.089    39.799    0.000    0.000
LGA    L   138_A      L   138_A    39.778     3    0.057   0.055    42.529    0.000    0.000
LGA    Y   139_A      Y   139_A    42.104     0    0.055   0.892    44.275    0.000    0.000
LGA    N   140_A      N   140_A    41.822     0    0.458   0.616    42.430    0.000    0.000
LGA    S   141_A      S   141_A    44.216     0    0.487   0.783    48.346    0.000    0.000
LGA    Q   142_A      Q   142_A    48.816     4    0.326   0.319    50.703    0.000    0.000
LGA    N   143_A      N   143_A    45.550     3    0.553   0.519    46.143    0.000    0.000
LGA    H   147_A      H   147_A    37.439     0    0.255   1.127    38.818    0.000    0.000
LGA    L   148_A      L   148_A    37.788     0    0.603   1.391    41.969    0.000    0.000
LGA    S   149_A      S   149_A    31.896     0    0.599   0.906    33.767    0.000    0.000
LGA    I   150_A      I   150_A    29.150     0    0.052   0.297    30.274    0.000    0.000
LGA    E   151_A      E   151_A    28.434     0    0.037   1.535    31.496    0.000    0.000
LGA    K   152_A      K   152_A    30.456     0    0.040   1.195    36.518    0.000    0.000
LGA    L   153_A      L   153_A    29.313     0    0.042   0.186    29.754    0.000    0.000
LGA    I   154_A      I   154_A    27.158     0    0.044   0.530    27.973    0.000    0.000
LGA    A   155_A      A   155_A    28.547     0    0.030   0.039    29.079    0.000    0.000
LGA    G   156_A      G   156_A    29.632     0    0.045   0.045    29.632    0.000    0.000
LGA    L   157_A      L   157_A    28.075     0    0.074   1.397    28.799    0.000    0.000
LGA    A   158_A      A   158_A    27.885     0    0.235   0.236    28.701    0.000    0.000
LGA    V   159_A      V   159_A    31.001     0    0.280   1.230    35.252    0.000    0.000
LGA    R   160_A      R   160_A    37.859     0    0.555   1.294    43.418    0.000    0.000
LGA    R   161_A      R   161_A    38.320     0    0.066   1.000    39.961    0.000    0.000
LGA    K   162_A      K   162_A    40.074     0    0.068   0.558    41.851    0.000    0.000
LGA    V   163_A      V   163_A    40.952     0    0.040   1.076    42.451    0.000    0.000
LGA    C   164_A      C   164_A    41.176     0    0.057   0.737    42.611    0.000    0.000
LGA    K   165_A      K   165_A    42.194     0    0.078   0.943    44.335    0.000    0.000
LGA    L   166_A      L   166_A    44.118     0    0.143   0.357    45.255    0.000    0.000
LGA    V   167_A      V   167_A    44.895     0    0.586   0.648    45.666    0.000    0.000
LGA    Q   168_A      Q   168_A    44.348     0    0.139   0.461    44.989    0.000    0.000
LGA    D   169_A      D   169_A    45.377     0    0.485   0.417    46.065    0.000    0.000
LGA    G   170_A      G   170_A    46.795     0    0.643   0.643    49.025    0.000    0.000
LGA    H   171_A      H   171_A    48.286     0    0.524   1.476    50.058    0.000    0.000
LGA    I   172_A      I   172_A    45.099     0    0.550   1.294    48.222    0.000    0.000
LGA    D   173_A      D   173_A    51.675     0    0.531   0.903    55.520    0.000    0.000
LGA    E   174_A      E   174_A    54.229     4    0.091   0.087    56.020    0.000    0.000
LGA    T   175_A      T   175_A    49.410     0    0.040   0.238    51.003    0.000    0.000
LGA    V   176_A      V   176_A    46.077     0    0.070   1.128    47.410    0.000    0.000
LGA    Y   177_A      Y   177_A    50.688     7    0.033   0.048    53.098    0.000    0.000
LGA    R   178_A      R   178_A    50.691     0    0.046   1.264    51.669    0.000    0.000
LGA    A   179_A      A   179_A    44.212     0    0.039   0.056    46.485    0.000    0.000
LGA    L   180_A      L   180_A    45.013     0    0.041   0.189    46.253    0.000    0.000
LGA    D   181_A      D   181_A    49.407     0    0.029   0.694    54.189    0.000    0.000
LGA    E   182_A      E   182_A    45.379     0    0.047   1.339    48.807    0.000    0.000
LGA    M   183_A      M   183_A    40.827     0    0.068   0.176    42.555    0.000    0.000
LGA    A   184_A      A   184_A    45.154     0    0.047   0.049    47.344    0.000    0.000
LGA    A   185_A      A   185_A    46.279     0    0.209   0.221    46.966    0.000    0.000
LGA    G   186_A      G   186_A    40.501     0    0.107   0.107    42.313    0.000    0.000
LGA    A   187_A      A   187_A    38.405     0    0.433   0.554    38.800    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      126     504    504  100.00     936    936  100.00               126
SUMMARY(RMSD_GDC):    13.524         13.434                 13.900           15.595   13.604

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  187  126    4.0     23    1.86    19.841    17.279     1.172

LGA_LOCAL      RMSD:   1.863  Number of atoms:   23  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  29.091  Number of assigned atoms:  126 
Std_ASGN_ATOMS RMSD:  13.524  Standard rmsd on all 126 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.132118 * X  +   0.928663 * Y  +   0.346598 * Z  + -12.324983
  Y_new =  -0.136074 * X  +  -0.363345 * Y  +   0.921664 * Z  +   9.320987
  Z_new =   0.981850 * X  +   0.074606 * Y  +   0.174371 * Z  + -14.305379 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.341447 -1.379979  0.404288   [DEG: -134.1550  -79.0670   23.1640 ]
ZXZ:  2.781896  1.395529  1.494957   [DEG:  159.3909   79.9579   85.6547 ]
 
# END of job
