
#######################################################
#                                                     #
#                        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       4.95    28.09
  LCS_AVERAGE:     24.04

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    20      81_A - 100_A       1.67    29.60
  LCS_AVERAGE:     10.75

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    17      83_A - 99_A        0.86    30.05
  LONGEST_CONTINUOUS_SEGMENT:    17      84_A - 100_A       0.79    29.95
  LCS_AVERAGE:      8.31

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      4    4   10      0    5    5    7   11   13   16   17   19   20   21   22   23   24   28   35   40   42   46   51 
LCS_GDT     R    60_A     R    60_A      4    4   10      3    3    4    5    8   13   16   17   19   20   21   22   23   26   29   35   40   42   46   51 
LCS_GDT     V    61_A     V    61_A      4    4   10      3    3    5    5    6    7    9   10   12   15   18   21   23   26   34   35   40   44   48   52 
LCS_GDT     K    62_A     K    62_A      4    4   10      3    3    4    4    4    4   10   15   17   18   22   24   26   30   35   39   42   45   50   54 
LCS_GDT     L    63_A     L    63_A      3    4   10      0    3    4    4    4    5   11   15   17   18   22   24   26   30   34   39   42   45   50   54 
LCS_GDT     R    64_A     R    64_A      4    5   13      3    4    4    5    6    6    9   15   17   18   22   24   26   30   35   39   42   45   50   54 
LCS_GDT     K    65_A     K    65_A      4    5   13      3    4    4    5    6    6    6    7    8   11   12   15   20   23   27   31   37   42   46   50 
LCS_GDT     H    66_A     H    66_A      4    5   13      3    4    4    5    6    6    6    7   10   11   12   15   16   19   22   23   25   27   34   39 
LCS_GDT     L    67_A     L    67_A      4    5   13      3    4    4    5    6    6    6    7   10   11   12   15   18   22   28   31   39   44   47   52 
LCS_GDT     V    68_A     V    68_A      3    5   13      1    3    4    5    6    6    6   14   17   18   22   24   26   30   35   39   42   45   50   54 
LCS_GDT     E    69_A     E    69_A      3    5   33      0    3    3    4    5    5    6    8    8   10   19   24   26   30   35   39   42   45   50   54 
LCS_GDT     I    70_A     I    70_A      4    5   33      1    4    4    4    6    7   12   14   16   18   24   27   31   34   36   39   42   45   50   54 
LCS_GDT     N    71_A     N    71_A      4    5   33      1    4    4    4   11   14   20   23   23   27   29   30   31   34   37   38   42   45   50   54 
LCS_GDT     A    72_A     A    72_A      4    5   33      3    5    5    6    6    6   10   16   23   27   29   30   31   34   37   38   40   43   46   51 
LCS_GDT     D    73_A     D    73_A      4    5   33      3    5    5    6    6    6    6    8   22   23   26   29   30   31   33   36   38   41   42   46 
LCS_GDT     E    74_A     E    74_A      4    5   33      3    5    5    6    6    6    6    8   10   14   20   24   27   31   31   32   37   43   46   50 
LCS_GDT     I    75_A     I    75_A      4    5   33      3    5    5    6    6    6    6    9   19   24   28   29   30   33   37   38   40   43   46   50 
LCS_GDT     T    76_A     T    76_A      3    5   33      1    4    4    6   13   14   17   22   24   27   29   30   31   34   37   38   40   43   46   50 
LCS_GDT     I    77_A     I    77_A      3    3   33      1    3   10   13   20   20   21   22   24   27   29   30   31   34   37   38   40   43   46   51 
LCS_GDT     T    78_A     T    78_A      3    3   33      3   11   17   19   20   20   21   23   24   27   29   30   31   34   37   38   40   43   46   50 
LCS_GDT     L    79_A     L    79_A      3    4   33      0    3    4    6   18   20   21   23   24   27   29   30   31   34   37   38   40   43   46   51 
LCS_GDT     S    80_A     S    80_A      3    5   33      3    3    4    4    8    9   12   15   23   27   29   30   31   34   37   39   42   45   50   54 
LCS_GDT     R    81_A     R    81_A      3   20   33      3    3    3    5    8   17   21   23   24   27   29   30   31   34   37   39   42   45   50   54 
LCS_GDT     Y    82_A     Y    82_A      3   20   33      3    3    3    4    9   19   21   23   24   27   29   30   31   34   37   38   40   44   46   51 
LCS_GDT     T    83_A     T    83_A     17   20   33      3    4    8   19   20   20   21   23   24   27   29   30   31   34   37   38   40   43   46   50 
LCS_GDT     S    84_A     S    84_A     17   20   33      5   16   17   19   20   20   21   23   24   27   29   30   31   33   37   38   40   43   46   50 
LCS_GDT     P    85_A     P    85_A     17   20   33      5   16   17   19   20   20   21   23   24   27   29   30   31   33   37   38   40   43   46   50 
LCS_GDT     E    86_A     E    86_A     17   20   33      5   16   17   19   20   20   21   23   24   27   29   30   31   34   37   38   40   42   46   50 
LCS_GDT     A    87_A     A    87_A     17   20   33     13   16   17   19   20   20   21   23   24   27   29   30   31   34   37   38   40   43   46   50 
LCS_GDT     L    88_A     L    88_A     17   20   33     13   16   17   19   20   20   21   23   24   27   29   30   31   34   37   38   40   42   46   50 
LCS_GDT     E    89_A     E    89_A     17   20   33     13   16   17   19   20   20   21   23   24   27   29   30   31   34   37   38   40   41   43   46 
LCS_GDT     R    90_A     R    90_A     17   20   33     13   16   17   19   20   20   21   23   24   27   29   30   31   34   37   38   40   41   43   46 
LCS_GDT     S    91_A     S    91_A     17   20   33     13   16   17   19   20   20   21   23   24   27   29   30   31   34   37   38   40   41   44   46 
LCS_GDT     I    92_A     I    92_A     17   20   33     13   16   17   19   20   20   21   23   24   27   29   30   31   34   37   38   40   41   43   46 
LCS_GDT     T    93_A     T    93_A     17   20   33     13   16   17   19   20   20   21   23   24   27   29   30   31   34   37   38   40   41   43   46 
LCS_GDT     A    94_A     A    94_A     17   20   33     13   16   17   19   20   20   21   23   24   27   29   30   31   34   37   38   40   41   43   46 
LCS_GDT     L    95_A     L    95_A     17   20   33     13   16   17   19   20   20   21   23   24   27   29   30   31   34   37   38   40   41   43   46 
LCS_GDT     A    96_A     A    96_A     17   20   33     13   16   17   19   20   20   21   23   24   27   29   30   31   34   37   38   40   41   43   46 
LCS_GDT     A    97_A     A    97_A     17   20   33     13   16   17   19   20   20   21   23   24   27   29   30   31   34   37   38   40   41   43   46 
LCS_GDT     M    98_A     M    98_A     17   20   33     13   16   17   19   20   20   21   23   24   27   29   30   31   34   37   38   40   41   43   46 
LCS_GDT     T    99_A     T    99_A     17   20   33     13   16   17   19   20   20   21   23   24   26   28   30   31   33   36   38   40   41   43   46 
LCS_GDT     G   100_A     G   100_A     17   20   33      3    9   15   19   20   20   21   23   24   27   29   30   31   34   37   38   40   41   43   46 
LCS_GDT     H   101_A     H   101_A     13   15   33      5   10   12   13   13   15   16   17   22   27   29   30   31   34   37   38   40   41   43   46 
LCS_GDT     A   102_A     A   102_A     13   15   33      8   10   12   13   13   15   16   17   19   20   24   27   30   34   37   38   40   41   43   46 
LCS_GDT     P   103_A     P   103_A     13   15   33      8   10   12   13   13   15   16   17   19   20   22   24   27   30   32   33   37   40   43   46 
LCS_GDT     S   104_A     S   104_A     13   15   25      8   10   12   13   13   15   16   17   19   20   22   24   27   30   32   33   36   39   42   46 
LCS_GDT     S   105_A     S   105_A     13   15   25      8   10   12   13   13   15   16   17   19   20   22   26   29   34   36   38   40   41   43   46 
LCS_GDT     I   106_A     I   106_A     13   15   25      8   10   12   13   13   15   16   17   19   21   24   28   31   34   37   38   40   41   43   46 
LCS_GDT     K   107_A     K   107_A     13   15   25      8   10   12   13   13   15   16   17   19   20   22   24   27   31   35   36   38   41   43   46 
LCS_GDT     E   108_A     E   108_A     13   15   25      8   10   12   13   13   15   16   17   19   20   22   24   27   32   35   36   40   41   43   46 
LCS_GDT     E   109_A     E   109_A     13   15   25      8   10   12   13   13   15   16   17   19   22   26   29   31   34   37   38   40   41   43   46 
LCS_GDT     C   110_A     C   110_A     13   15   25      5   10   12   13   13   15   16   17   19   20   24   27   30   34   37   38   40   41   45   50 
LCS_GDT     V   111_A     V   111_A     13   15   25      4   10   12   13   13   15   16   17   19   20   21   26   28   32   35   38   40   41   48   52 
LCS_GDT     E   112_A     E   112_A     13   15   25      3   10   12   13   13   15   16   17   19   22   24   28   31   34   37   38   41   43   48   52 
LCS_GDT     L   113_A     L   113_A     13   15   25      3    8   11   13   13   15   16   17   20   24   29   30   31   34   37   38   41   45   50   54 
LCS_GDT     I   114_A     I   114_A      6   15   25      4    5    8   12   13   15   16   17   19   20   23   26   30   34   37   38   41   45   49   54 
LCS_GDT     D   115_A     D   115_A      6   15   25      4    5    6    8   12   14   16   17   19   23   29   30   31   34   37   38   40   43   48   51 
LCS_GDT     K   116_A     K   116_A      6   11   25      4    5    6    9   13   15   16   17   19   21   26   27   31   33   37   38   40   43   48   52 
LCS_GDT     L   117_A     L   117_A      6   10   25      4    5    6    8   11   13   16   17   19   20   22   24   27   31   34   38   41   45   50   54 
LCS_GDT     D   118_A     D   118_A      3   10   25      0    3    6    8   11   13   14   17   19   20   22   24   32   34   35   38   41   43   48   52 
LCS_GDT     W   119_A     W   119_A      3    4   27      1    3    4    7   10   15   18   19   22   27   27   30   32   34   36   39   42   45   50   54 
LCS_GDT     L   120_A     L   120_A      3    4   27      1    3    3    4    8    9   12   18   22   27   27   29   32   34   36   39   42   45   50   54 
LCS_GDT     R   121_A     R   121_A      3    4   27      3    3    9   12   17   20   21   26   29   29   30   31   33   35   36   39   42   45   50   54 
LCS_GDT     V   122_A     V   122_A      3    4   27      3    3   12   14   17   20   23   26   29   29   30   31   33   35   36   39   42   45   50   54 
LCS_GDT     E   123_A     E   123_A      3    4   27      3    6    9   12   14   19   21   26   29   29   30   31   33   35   36   39   42   45   50   54 
LCS_GDT     N   124_A     N   124_A      3    4   27      3    3    6    8    9   10   14   17   22   25   29   31   33   35   35   39   42   45   50   54 
LCS_GDT     D   125_A     D   125_A      3    4   27      3    3    5    5    6    7    9   20   24   27   29   31   33   35   35   39   42   45   50   54 
LCS_GDT     V   126_A     V   126_A      3    4   27      3    4    4    5   13   16   18   20   24   27   29   31   33   35   35   38   42   45   50   54 
LCS_GDT     I   127_A     I   127_A      3   17   27      3    4    4    5    8   15   18   20   24   27   29   31   33   35   35   39   42   45   50   54 
LCS_GDT     Q   128_A     Q   128_A     16   17   28      6   13   14   16   17   18   18   21   24   27   29   31   33   35   35   38   42   45   50   54 
LCS_GDT     Y   129_A     Y   129_A     16   17   28      9   13   14   16   17   18   18   21   24   27   29   31   33   35   35   36   39   43   46   50 
LCS_GDT     P   130_A     P   130_A     16   17   28      6   13   14   16   17   18   18   21   24   27   29   31   33   35   35   36   39   42   46   50 
LCS_GDT     T   131_A     T   131_A     16   17   28      9   13   14   16   17   18   18   21   24   27   29   31   33   35   35   36   39   44   46   52 
LCS_GDT     L   132_A     L   132_A     16   17   28      9   13   14   16   17   18   18   21   24   27   29   31   33   35   35   38   42   45   50   54 
LCS_GDT     S   133_A     S   133_A     16   17   28      9   13   14   16   17   18   18   21   24   27   29   31   33   35   35   36   38   42   46   50 
LCS_GDT     K   134_A     K   134_A     16   17   28      9   13   14   16   17   18   18   21   24   27   29   31   33   35   35   36   38   39   40   43 
LCS_GDT     L   135_A     L   135_A     16   17   28      9   13   14   16   17   18   18   21   24   27   29   31   33   35   35   36   38   44   47   52 
LCS_GDT     L   136_A     L   136_A     16   17   28      9   13   14   16   17   18   18   21   24   27   29   31   33   35   35   36   38   44   48   51 
LCS_GDT     E   137_A     E   137_A     16   17   28      9   13   14   16   17   18   18   21   24   27   29   31   33   35   35   36   38   39   40   43 
LCS_GDT     L   138_A     L   138_A     16   17   28      9   13   14   16   17   18   18   21   24   27   29   31   33   35   35   36   38   39   40   43 
LCS_GDT     Y   139_A     Y   139_A     16   17   28      9   13   14   16   17   18   18   21   24   27   29   31   33   35   35   36   39   44   48   52 
LCS_GDT     N   140_A     N   140_A     16   17   28      9   13   14   16   17   18   18   21   24   27   29   31   33   35   35   36   38   43   48   51 
LCS_GDT     S   141_A     S   141_A     16   17   28      4   11   14   16   17   18   18   21   24   27   29   31   33   35   35   36   38   39   40   43 
LCS_GDT     Q   142_A     Q   142_A     16   17   28      3    9   14   16   17   18   18   20   24   27   29   31   33   35   35   36   38   39   40   45 
LCS_GDT     N   143_A     N   143_A     16   17   28      3    3    8   16   17   18   18   21   24   27   29   31   33   35   35   36   39   43   48   52 
LCS_GDT     H   147_A     H   147_A      3   10   28      1    3    3    4    8   10   14   14   18   20   25   29   31   33   35   39   42   45   50   54 
LCS_GDT     L   148_A     L   148_A      3   11   28      2    3    4    6    6   10   14   14   18   22   25   29   31   33   35   39   42   45   50   54 
LCS_GDT     S   149_A     S   149_A     10   11   28      3    9   10   10   10   11   14   14   16   18   22   26   28   31   35   39   42   45   50   54 
LCS_GDT     I   150_A     I   150_A     10   11   28      3    9   10   10   10   11   14   14   16   18   21   25   28   31   35   39   42   45   50   54 
LCS_GDT     E   151_A     E   151_A     10   11   37      6    9   10   10   10   11   14   14   17   18   21   26   31   33   35   39   42   45   50   54 
LCS_GDT     K   152_A     K   152_A     10   11   37      6    9   10   10   10   11   14   20   22   27   27   30   32   34   36   38   41   45   50   54 
LCS_GDT     L   153_A     L   153_A     10   11   37      6    9   10   10   10   11   14   14   18   22   25   29   31   33   35   38   42   45   50   54 
LCS_GDT     I   154_A     I   154_A     10   11   37      6    9   10   10   10   15   17   18   21   27   27   30   32   34   36   39   42   45   50   54 
LCS_GDT     A   155_A     A   155_A     10   11   37      6   13   14   15   17   20   23   26   29   29   31   31   32   34   36   37   39   42   45   49 
LCS_GDT     G   156_A     G   156_A     10   11   37      6    9   10   10   10   11   14   16   18   22   25   29   31   34   36   37   38   41   42   44 
LCS_GDT     L   157_A     L   157_A     10   11   37      4    9   10   10   10   11   14   16   18   22   25   29   31   34   36   37   38   41   42   44 
LCS_GDT     A   158_A     A   158_A     10   11   37      4    9   10   17   20   22   25   27   29   30   31   31   32   34   36   37   38   41   42   44 
LCS_GDT     V   159_A     V   159_A      4   12   37      3    4   12   16   20   23   25   28   29   30   31   31   32   34   36   37   38   41   42   44 
LCS_GDT     R   160_A     R   160_A     11   14   37      7   11   13   13   21   23   26   28   29   30   31   31   33   35   35   36   38   39   44   46 
LCS_GDT     R   161_A     R   161_A     11   14   37      7   11   13   13   16   21   26   28   29   30   31   31   33   35   35   36   38   39   41   44 
LCS_GDT     K   162_A     K   162_A     11   14   37      7   11   13   13   16   22   26   28   29   30   31   31   33   35   35   36   37   39   44   46 
LCS_GDT     V   163_A     V   163_A     11   14   37      7   11   13   17   21   23   26   28   29   30   31   31   33   35   36   39   42   45   50   54 
LCS_GDT     C   164_A     C   164_A     11   14   37      7   11   13   13   21   23   26   28   29   30   31   31   32   35   36   39   42   45   50   54 
LCS_GDT     K   165_A     K   165_A     11   14   37      7   11   13   13   21   23   26   28   29   30   31   31   32   34   36   39   42   45   50   54 
LCS_GDT     L   166_A     L   166_A     11   14   37      7   11   13   17   21   23   26   28   29   30   31   31   32   34   36   39   42   45   50   54 
LCS_GDT     V   167_A     V   167_A     11   14   37      6   11   13   17   21   23   26   28   29   30   31   31   32   34   36   39   42   45   50   54 
LCS_GDT     Q   168_A     Q   168_A     11   14   37      6   11   13   16   21   23   26   28   29   30   31   31   32   34   36   39   42   45   50   54 
LCS_GDT     D   169_A     D   169_A     11   19   37      4   11   13   17   21   23   26   28   29   30   31   31   32   34   36   39   42   45   50   54 
LCS_GDT     G   170_A     G   170_A     11   19   37      3    5   13   15   17   20   23   26   29   30   31   31   32   34   36   38   41   45   50   54 
LCS_GDT     H   171_A     H   171_A      4   19   37      3    4   10   14   17   22   26   28   29   30   31   31   32   34   36   38   41   45   49   54 
LCS_GDT     I   172_A     I   172_A      4   19   37      3    4    6   10   14   21   26   28   29   30   31   31   32   34   36   38   41   45   49   54 
LCS_GDT     D   173_A     D   173_A     14   19   37      3    4   14   16   21   23   26   28   29   30   31   31   32   34   36   38   41   45   49   54 
LCS_GDT     E   174_A     E   174_A     14   19   37      8   13   14   14   18   22   25   28   29   30   31   31   32   34   36   38   41   45   50   54 
LCS_GDT     T   175_A     T   175_A     14   19   37     10   13   14   17   21   23   26   28   29   30   31   31   32   34   36   38   42   45   50   54 
LCS_GDT     V   176_A     V   176_A     14   19   37     10   13   14   17   21   23   26   28   29   30   31   31   32   34   36   39   42   45   50   54 
LCS_GDT     Y   177_A     Y   177_A     14   19   37     10   13   14   17   21   23   26   28   29   30   31   31   32   34   36   39   42   45   50   54 
LCS_GDT     R   178_A     R   178_A     14   19   37     10   13   14   17   21   23   26   28   29   30   31   31   32   34   36   39   42   45   50   54 
LCS_GDT     A   179_A     A   179_A     14   19   37     10   13   14   17   21   23   26   28   29   30   31   31   33   35   36   39   42   45   50   54 
LCS_GDT     L   180_A     L   180_A     14   19   37     10   13   14   17   21   23   26   28   29   30   31   31   33   35   36   39   42   45   50   54 
LCS_GDT     D   181_A     D   181_A     14   19   37     10   13   14   17   21   23   26   28   29   30   31   31   33   35   36   39   42   45   50   54 
LCS_GDT     E   182_A     E   182_A     14   19   37     10   13   14   17   21   23   26   28   29   30   31   31   33   35   36   39   42   45   50   54 
LCS_GDT     M   183_A     M   183_A     14   19   37     10   13   14   17   21   23   26   28   29   30   31   31   33   35   36   39   42   45   50   54 
LCS_GDT     A   184_A     A   184_A     14   19   37     10   13   14   17   20   23   26   28   29   30   31   31   33   35   36   39   42   45   50   54 
LCS_GDT     A   185_A     A   185_A     14   19   37     10   13   14   17   21   23   26   28   29   30   31   31   33   35   36   39   42   45   50   54 
LCS_GDT     G   186_A     G   186_A     14   19   37      3   13   14   17   21   23   26   28   29   30   31   31   32   34   36   38   42   45   49   52 
LCS_GDT     A   187_A     A   187_A     14   19   37      0    0    4   16   21   23   26   28   29   30   31   31   32   34   36   37   38   42   43   46 
LCS_AVERAGE  LCS_A:  14.37  (   8.31   10.75   24.04 )

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     16     17     19     21     23     26     28     29     30     31     31     33     35     37     39     42     45     50     54 
GDT PERCENT_AT  10.32  12.70  13.49  15.08  16.67  18.25  20.63  22.22  23.02  23.81  24.60  24.60  26.19  27.78  29.37  30.95  33.33  35.71  39.68  42.86
GDT RMS_LOCAL    0.30   0.50   0.71   1.05   1.87   1.94   2.28   2.42   2.57   2.67   2.90   2.90   4.02   4.27   5.02   6.07   6.30   6.51   6.94   7.34
GDT RMS_ALL_AT  30.17  30.23  29.90  29.75  31.93  31.42  32.81  32.26  32.33  31.84  31.20  31.20  25.73  25.59  28.61  14.61  14.59  14.54  14.69  14.87

# Checking swapping
#   possible swapping detected:  E    69_A      E    69_A
#   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:  D   118_A      D   118_A
#   possible swapping detected:  D   125_A      D   125_A
#   possible swapping detected:  Y   129_A      Y   129_A
#   possible swapping detected:  D   169_A      D   169_A
#   possible swapping detected:  E   182_A      E   182_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    R    59_A      R    59_A    49.964     6    0.559   0.571    52.369    0.000    0.000
LGA    R    60_A      R    60_A    47.402     6    0.675   0.609    48.945    0.000    0.000
LGA    V    61_A      V    61_A    46.142     0    0.293   0.997    50.757    0.000    0.000
LGA    K    62_A      K    62_A    44.292     0    0.593   1.498    45.114    0.000    0.000
LGA    L    63_A      L    63_A    45.195     0    0.608   1.096    50.144    0.000    0.000
LGA    R    64_A      R    64_A    38.361     6    0.594   0.598    40.836    0.000    0.000
LGA    K    65_A      K    65_A    38.109     0    0.027   0.693    40.143    0.000    0.000
LGA    H    66_A      H    66_A    41.490     0    0.169   1.083    42.730    0.000    0.000
LGA    L    67_A      L    67_A    41.009     0    0.604   1.034    41.499    0.000    0.000
LGA    V    68_A      V    68_A    40.599     0    0.604   0.998    41.654    0.000    0.000
LGA    E    69_A      E    69_A    43.224     0    0.641   0.826    44.940    0.000    0.000
LGA    I    70_A      I    70_A    48.577     0    0.610   0.987    52.693    0.000    0.000
LGA    N    71_A      N    71_A    45.955     0    0.383   1.461    47.814    0.000    0.000
LGA    A    72_A      A    72_A    49.441     0    0.557   0.510    50.473    0.000    0.000
LGA    D    73_A      D    73_A    46.317     0    0.307   0.445    47.216    0.000    0.000
LGA    E    74_A      E    74_A    47.294     0    0.150   1.396    50.669    0.000    0.000
LGA    I    75_A      I    75_A    48.681     0    0.579   1.407    53.018    0.000    0.000
LGA    T    76_A      T    76_A    43.093     0    0.632   1.204    44.847    0.000    0.000
LGA    I    77_A      I    77_A    40.716     0    0.618   1.336    44.093    0.000    0.000
LGA    T    78_A      T    78_A    40.080     0    0.616   1.241    41.141    0.000    0.000
LGA    L    79_A      L    79_A    40.631     0    0.630   0.657    46.891    0.000    0.000
LGA    S    80_A      S    80_A    34.319     0    0.600   0.741    36.730    0.000    0.000
LGA    R    81_A      R    81_A    34.698     0    0.400   1.154    37.983    0.000    0.000
LGA    Y    82_A      Y    82_A    38.435     0    0.714   0.898    39.698    0.000    0.000
LGA    T    83_A      T    83_A    42.996     0    0.612   0.982    46.527    0.000    0.000
LGA    S    84_A      S    84_A    46.053     0    0.096   0.570    48.439    0.000    0.000
LGA    P    85_A      P    85_A    46.275     0    0.037   0.275    47.644    0.000    0.000
LGA    E    86_A      E    86_A    50.187     0    0.075   0.848    53.167    0.000    0.000
LGA    A    87_A      A    87_A    48.458     0    0.080   0.075    48.932    0.000    0.000
LGA    L    88_A      L    88_A    45.326     0    0.077   1.457    46.421    0.000    0.000
LGA    E    89_A      E    89_A    48.368     0    0.035   1.202    51.656    0.000    0.000
LGA    R    90_A      R    90_A    50.488     0    0.081   1.220    53.098    0.000    0.000
LGA    S    91_A      S    91_A    47.326     0    0.044   0.697    48.323    0.000    0.000
LGA    I    92_A      I    92_A    46.540     0    0.050   1.311    48.088    0.000    0.000
LGA    T    93_A      T    93_A    50.625     0    0.056   1.144    53.821    0.000    0.000
LGA    A    94_A      A    94_A    50.250     0    0.066   0.091    50.310    0.000    0.000
LGA    L    95_A      L    95_A    46.734     0    0.050   0.257    47.726    0.000    0.000
LGA    A    96_A      A    96_A    49.080     0    0.061   0.084    50.441    0.000    0.000
LGA    A    97_A      A    97_A    52.344     0    0.072   0.074    53.437    0.000    0.000
LGA    M    98_A      M    98_A    49.421     0    0.068   1.153    50.209    0.000    0.000
LGA    T    99_A      T    99_A    47.053     0    0.070   0.089    48.522    0.000    0.000
LGA    G   100_A      G   100_A    51.877     0    0.102   0.102    53.713    0.000    0.000
LGA    H   101_A      H   101_A    52.683     5    0.205   0.306    52.683    0.000    0.000
LGA    A   102_A      A   102_A    53.546     0    0.129   0.197    55.680    0.000    0.000
LGA    P   103_A      P   103_A    48.901     0    0.076   0.395    51.867    0.000    0.000
LGA    S   104_A      S   104_A    52.734     0    0.046   0.556    56.238    0.000    0.000
LGA    S   105_A      S   105_A    51.657     0    0.055   0.692    53.390    0.000    0.000
LGA    I   106_A      I   106_A    44.675     0    0.036   0.730    47.423    0.000    0.000
LGA    K   107_A      K   107_A    44.310     0    0.050   1.118    46.676    0.000    0.000
LGA    E   108_A      E   108_A    47.272     3    0.032   0.710    50.630    0.000    0.000
LGA    E   109_A      E   109_A    42.561     0    0.054   1.430    44.380    0.000    0.000
LGA    C   110_A      C   110_A    37.166     0    0.083   0.795    39.362    0.000    0.000
LGA    V   111_A      V   111_A    40.174     0    0.044   0.191    44.103    0.000    0.000
LGA    E   112_A      E   112_A    38.543     0    0.073   0.576    46.263    0.000    0.000
LGA    L   113_A      L   113_A    34.950     0    0.088   0.235    38.785    0.000    0.000
LGA    I   114_A      I   114_A    30.463     0    0.065   1.275    32.341    0.000    0.000
LGA    D   115_A      D   115_A    29.221     0    0.135   0.454    30.509    0.000    0.000
LGA    K   116_A      K   116_A    28.367     2    0.213   0.871    33.524    0.000    0.000
LGA    L   117_A      L   117_A    25.945     0    0.579   1.266    27.727    0.000    0.000
LGA    D   118_A      D   118_A    19.770     0    0.602   1.146    21.663    0.000    0.000
LGA    W   119_A      W   119_A    19.525     0    0.630   1.268    24.641    0.000    0.000
LGA    L   120_A      L   120_A    17.803     0    0.510   0.462    21.544    0.000    0.000
LGA    R   121_A      R   121_A    11.997     0    0.567   1.422    14.346    0.000    0.000
LGA    V   122_A      V   122_A     9.613     0    0.138   1.096    11.748    0.119    0.340
LGA    E   123_A      E   123_A    12.826     4    0.320   0.395    14.875    0.000    0.000
LGA    N   124_A      N   124_A    18.655     0    0.688   0.616    21.403    0.000    0.000
LGA    D   125_A      D   125_A    17.807     0    0.607   0.801    19.415    0.000    0.000
LGA    V   126_A      V   126_A    23.550     0    0.603   0.556    28.244    0.000    0.000
LGA    I   127_A      I   127_A    22.113     0    0.629   1.834    23.260    0.000    0.000
LGA    Q   128_A      Q   128_A    21.990     0    0.601   1.129    22.186    0.000    0.000
LGA    Y   129_A      Y   129_A    24.153     0    0.053   1.361    27.233    0.000    0.000
LGA    P   130_A      P   130_A    26.678     0    0.056   0.284    29.664    0.000    0.000
LGA    T   131_A      T   131_A    21.985     0    0.062   1.121    23.476    0.000    0.000
LGA    L   132_A      L   132_A    18.501     0    0.062   0.146    19.761    0.000    0.000
LGA    S   133_A      S   133_A    23.266     0    0.064   0.625    25.894    0.000    0.000
LGA    K   134_A      K   134_A    24.871     4    0.124   0.121    25.963    0.000    0.000
LGA    L   135_A      L   135_A    18.943     0    0.033   1.377    20.806    0.000    0.000
LGA    L   136_A      L   136_A    17.633     0    0.030   1.106    19.385    0.000    0.000
LGA    E   137_A      E   137_A    23.094     4    0.084   0.098    25.614    0.000    0.000
LGA    L   138_A      L   138_A    22.598     3    0.053   0.054    22.598    0.000    0.000
LGA    Y   139_A      Y   139_A    16.543     0    0.057   1.059    18.485    0.000    0.000
LGA    N   140_A      N   140_A    18.290     0    0.073   0.266    20.141    0.000    0.000
LGA    S   141_A      S   141_A    24.046     0    0.191   0.711    26.449    0.000    0.000
LGA    Q   142_A      Q   142_A    20.749     4    0.615   0.587    21.313    0.000    0.000
LGA    N   143_A      N   143_A    17.262     3    0.515   0.468    19.047    0.000    0.000
LGA    H   147_A      H   147_A    20.506     0    0.098   0.997    27.076    0.000    0.000
LGA    L   148_A      L   148_A    16.826     0    0.612   0.879    18.666    0.000    0.000
LGA    S   149_A      S   149_A    20.222     0    0.654   0.890    21.335    0.000    0.000
LGA    I   150_A      I   150_A    21.380     0    0.099   1.002    26.142    0.000    0.000
LGA    E   151_A      E   151_A    15.967     0    0.055   1.504    17.894    0.000    0.000
LGA    K   152_A      K   152_A    12.522     0    0.062   0.685    13.940    0.000    0.000
LGA    L   153_A      L   153_A    16.348     0    0.041   1.148    22.193    0.000    0.000
LGA    I   154_A      I   154_A    14.352     0    0.041   1.229    19.297    0.000    0.000
LGA    A   155_A      A   155_A     7.894     0    0.024   0.033    10.429    9.643    9.714
LGA    G   156_A      G   156_A     9.536     0    0.061   0.061     9.661    1.310    1.310
LGA    L   157_A      L   157_A    10.649     0    0.056   0.181    16.021    1.905    0.952
LGA    A   158_A      A   158_A     5.181     0    0.266   0.266     7.092   30.714   28.857
LGA    V   159_A      V   159_A     3.176     0    0.251   1.046     5.415   55.833   45.442
LGA    R   160_A      R   160_A     2.454     0    0.556   1.034     9.135   67.024   36.926
LGA    R   161_A      R   161_A     4.101     0    0.048   0.755     7.363   43.452   25.152
LGA    K   162_A      K   162_A     3.572     0    0.049   1.136     5.168   50.238   41.164
LGA    V   163_A      V   163_A     1.428     0    0.029   0.077     2.037   77.262   76.599
LGA    C   164_A      C   164_A     2.205     0    0.054   0.073     3.560   66.786   60.079
LGA    K   165_A      K   165_A     2.372     0    0.091   1.145     7.121   70.952   45.185
LGA    L   166_A      L   166_A     1.557     0    0.098   1.384     2.915   77.143   75.238
LGA    V   167_A      V   167_A     1.300     0    0.085   0.869     2.568   77.381   74.422
LGA    Q   168_A      Q   168_A     1.647     0    0.040   1.100     4.240   72.976   67.143
LGA    D   169_A      D   169_A     1.616     0    0.404   1.196     4.608   58.929   71.429
LGA    G   170_A      G   170_A     5.608     0    0.678   0.678     5.608   37.976   37.976
LGA    H   171_A      H   171_A     3.752     0    0.383   1.149     7.959   46.905   29.571
LGA    I   172_A      I   172_A     3.644     0    0.073   1.342     6.696   50.238   40.119
LGA    D   173_A      D   173_A     1.692     0    0.274   1.014     6.327   70.952   52.917
LGA    E   174_A      E   174_A     3.574     4    0.422   0.407     5.985   53.690   26.243
LGA    T   175_A      T   175_A     2.224     0    0.056   1.261     5.286   70.952   61.701
LGA    V   176_A      V   176_A     1.360     0    0.070   1.118     4.578   81.548   73.265
LGA    Y   177_A      Y   177_A     2.315     7    0.052   0.062     3.128   70.952   27.817
LGA    R   178_A      R   178_A     1.776     0    0.064   1.595    11.909   79.286   43.074
LGA    A   179_A      A   179_A     1.561     0    0.035   0.055     2.488   79.405   76.476
LGA    L   180_A      L   180_A     2.429     0    0.046   0.079     4.121   66.786   55.179
LGA    D   181_A      D   181_A     2.249     0    0.028   0.113     4.916   72.976   56.845
LGA    E   182_A      E   182_A     1.168     0    0.064   0.712     3.155   88.214   73.757
LGA    M   183_A      M   183_A     2.380     0    0.061   1.133     5.845   68.929   54.286
LGA    A   184_A      A   184_A     2.877     0    0.096   0.099     3.232   57.262   55.810
LGA    A   185_A      A   185_A     1.472     0    0.719   0.670     2.963   73.214   73.143
LGA    G   186_A      G   186_A     1.670     0    0.639   0.639     4.074   64.048   64.048
LGA    A   187_A      A   187_A     1.926     0    0.401   0.527     3.735   65.476   61.048

# 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):    13.543         13.482                 14.051           15.559   12.883

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  187  126    4.0     28    2.42    20.238    17.955     1.113

LGA_LOCAL      RMSD:   2.415  Number of atoms:   28  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  32.256  Number of assigned atoms:  126 
Std_ASGN_ATOMS RMSD:  13.543  Standard rmsd on all 126 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.371328 * X  +   0.528464 * Y  +  -0.763440 * Z  +   3.804436
  Y_new =  -0.701851 * X  +  -0.698060 * Y  +  -0.141835 * Z  +  35.317955
  Z_new =  -0.607882 * X  +   0.483154 * Y  +   0.630113 * Z  +  16.343996 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.057428  0.653390  0.654150   [DEG: -117.8820   37.4365   37.4800 ]
ZXZ: -1.387106  0.889098 -0.899225   [DEG:  -79.4753   50.9416  -51.5218 ]
 
# END of job
