
#######################################################
#                                                     #
#                        LGA                          #
#                  ---------------                    #
#                                                     #
#               Local-Global Alignment                #
#        A Method for Finding 3-D Similarities        #
#               in Protein Structures                 #
#                                                     #
#                  ------------ 10/2009               #
#                                                     #
#      Adam Zemla (adamz@llnl.gov)                    #
#      Lawrence Livermore National Laboratory, CA     #
#                                                     #
#######################################################

!!!   License for LGA program has expired  !!!
#   For updated version of the LGA program   #
# please contact Adam Zemla:  adamz@llnl.gov #

# Molecule1: number of CA atoms  187 ( 1458),  selected  126 , name one
# Molecule2: number of CA atoms  126 (  936),  selected  126 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    36     152_A - 187_A       4.90    29.12
  LCS_AVERAGE:     24.37

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    20      81_A - 100_A       1.70    29.05
  LCS_AVERAGE:      9.87

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    18      83_A - 100_A       0.91    29.12
  LCS_AVERAGE:      7.66

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    4    6    7    8   11   13   17   19   21   23   27   31   39   40   44   50 
LCS_GDT     R    60_A     R    60_A      3    4   10      0    3    3    4    5    6    7   10   12   14   18   21   22   23   28   34   39   42   46   50 
LCS_GDT     V    61_A     V    61_A      3    4   10      0    3    3    4    5    5    7    8   13   13   18   21   22   25   32   35   42   44   49   52 
LCS_GDT     K    62_A     K    62_A      3    4   10      1    3    4    4    5    5    7    8   15   20   23   25   28   31   36   42   43   46   50   54 
LCS_GDT     L    63_A     L    63_A      3    3   10      0    3    4    4    4    7   11   14   18   20   23   25   28   31   36   42   43   46   50   54 
LCS_GDT     R    64_A     R    64_A      4    5   13      3    4    4    5    7    9   12   14   18   20   23   25   28   31   36   42   43   46   50   54 
LCS_GDT     K    65_A     K    65_A      4    5   13      3    4    4    5    6    6    7    8    9   11   15   16   18   28   30   33   36   40   46   53 
LCS_GDT     H    66_A     H    66_A      4    5   13      3    4    4    5    6    6    7    8    9   11   13   14   15   17   19   31   35   36   41   44 
LCS_GDT     L    67_A     L    67_A      4    5   13      3    4    4    5    6    6    7   12   14   15   22   25   27   31   36   39   43   45   50   54 
LCS_GDT     V    68_A     V    68_A      3    5   13      0    3    3    5    7    9   12   14   18   20   23   25   28   31   36   42   43   46   50   54 
LCS_GDT     E    69_A     E    69_A      3    5   33      1    3    3    5    5    9   11   14   16   20   23   25   28   31   36   42   43   46   50   54 
LCS_GDT     I    70_A     I    70_A      4    5   33      1    4    4    5    6    6    8   12   17   20   23   29   32   35   39   42   43   46   50   54 
LCS_GDT     N    71_A     N    71_A      4    5   33      3    4    4    9   11   15   20   23   24   27   29   31   34   36   39   42   43   46   50   54 
LCS_GDT     A    72_A     A    72_A      4    5   33      3    4    4    5    5    6   12   17   23   27   29   31   34   36   39   40   41   44   48   54 
LCS_GDT     D    73_A     D    73_A      4    5   33      3    4    4    5    6   10   10   13   15   24   27   29   31   33   36   38   39   42   46   46 
LCS_GDT     E    74_A     E    74_A      4    5   33      3    4    4    5    5    6    7   13   15   22   23   25   27   30   32   33   37   44   48   53 
LCS_GDT     I    75_A     I    75_A      4    5   33      3    4    4    5    5    5    6    8   21   25   28   30   33   35   37   39   41   44   48   53 
LCS_GDT     T    76_A     T    76_A      3    5   33      1    4    4    7    9   10   21   22   24   27   29   31   34   36   39   40   41   44   48   53 
LCS_GDT     I    77_A     I    77_A      3    3   33      1    3   18   19   20   20   22   23   24   27   29   31   34   36   39   40   41   44   50   54 
LCS_GDT     T    78_A     T    78_A      3    3   33     10   17   18   19   20   20   22   23   24   27   29   31   34   36   39   40   41   44   50   54 
LCS_GDT     L    79_A     L    79_A      3    4   33      0    3    4   14   19   20   22   23   24   27   29   31   34   36   39   40   43   45   50   54 
LCS_GDT     S    80_A     S    80_A      3    5   33      3    3    4    6    7    8   11   19   22   25   29   31   34   36   39   42   43   46   50   54 
LCS_GDT     R    81_A     R    81_A      3   20   33      3    3    4    6    9   12   21   23   24   27   29   31   34   36   39   42   43   46   50   54 
LCS_GDT     Y    82_A     Y    82_A      3   20   33      3    3    4    6    9   15   22   23   24   27   29   31   34   36   39   40   43   45   50   54 
LCS_GDT     T    83_A     T    83_A     18   20   33      3    5   10   19   20   20   22   23   24   27   29   31   34   36   39   40   41   44   48   53 
LCS_GDT     S    84_A     S    84_A     18   20   33     11   17   18   19   20   20   22   23   24   27   29   31   34   36   39   40   41   44   48   53 
LCS_GDT     P    85_A     P    85_A     18   20   33     11   17   18   19   20   20   22   23   24   27   29   31   34   36   39   40   41   44   48   53 
LCS_GDT     E    86_A     E    86_A     18   20   33     11   17   18   19   20   20   22   23   24   27   29   31   34   36   39   40   41   43   48   53 
LCS_GDT     A    87_A     A    87_A     18   20   33     11   17   18   19   20   20   22   23   24   27   29   31   34   36   39   40   41   44   48   53 
LCS_GDT     L    88_A     L    88_A     18   20   33     11   17   18   19   20   20   22   23   24   27   29   31   34   36   39   40   41   44   48   53 
LCS_GDT     E    89_A     E    89_A     18   20   33     11   17   18   19   20   20   22   23   24   27   29   31   34   36   39   40   41   43   46   46 
LCS_GDT     R    90_A     R    90_A     18   20   33     11   17   18   19   20   20   22   23   24   27   29   31   34   36   39   40   41   43   46   46 
LCS_GDT     S    91_A     S    91_A     18   20   33     11   17   18   19   20   20   22   23   24   27   29   31   34   36   39   40   41   43   46   49 
LCS_GDT     I    92_A     I    92_A     18   20   33      9   17   18   19   20   20   22   23   24   27   29   31   34   36   39   40   41   43   46   46 
LCS_GDT     T    93_A     T    93_A     18   20   33      9   17   18   19   20   20   22   23   24   27   29   31   34   36   39   40   41   43   46   46 
LCS_GDT     A    94_A     A    94_A     18   20   33     11   17   18   19   20   20   22   23   24   27   29   31   34   36   39   40   41   43   46   46 
LCS_GDT     L    95_A     L    95_A     18   20   33     11   17   18   19   20   20   22   23   24   27   29   31   34   36   39   40   41   43   46   46 
LCS_GDT     A    96_A     A    96_A     18   20   33     11   17   18   19   20   20   22   23   24   27   29   31   34   36   39   40   41   43   46   46 
LCS_GDT     A    97_A     A    97_A     18   20   33      9   17   18   19   20   20   22   23   24   27   29   31   34   36   39   40   41   43   46   46 
LCS_GDT     M    98_A     M    98_A     18   20   33      6   17   18   19   20   20   22   23   24   27   29   31   34   36   39   40   41   43   46   46 
LCS_GDT     T    99_A     T    99_A     18   20   33     11   17   18   19   20   20   22   23   24   27   28   30   33   35   37   40   41   43   44   46 
LCS_GDT     G   100_A     G   100_A     18   20   33      4   11   18   19   20   20   22   23   24   27   29   31   34   36   39   40   41   43   46   46 
LCS_GDT     H   101_A     H   101_A      7   10   33      4    8    9   10   12   14   14   19   23   27   29   31   34   36   39   40   41   43   46   46 
LCS_GDT     A   102_A     A   102_A      7   10   33      7    8    9   10   12   14   14   15   17   21   26   29   34   36   39   40   41   43   46   46 
LCS_GDT     P   103_A     P   103_A      7   10   33      7    8    9   10   12   14   14   15   16   20   22   25   27   30   31   36   39   41   46   46 
LCS_GDT     S   104_A     S   104_A      7   10   24      7    8    9   10   12   14   14   15   16   20   22   25   27   30   30   33   36   40   42   46 
LCS_GDT     S   105_A     S   105_A      7   10   24      7    8    9   10   12   14   14   15   16   20   23   26   31   35   39   40   41   43   46   46 
LCS_GDT     I   106_A     I   106_A      7   10   25      7    8    9   10   12   14   14   15   18   22   26   30   34   36   39   40   41   43   46   46 
LCS_GDT     K   107_A     K   107_A      7   10   25      7    8    9   10   12   14   14   15   16   20   22   25   28   33   37   38   41   43   46   46 
LCS_GDT     E   108_A     E   108_A      3   10   25      3    3    3    8   10   14   14   15   19   22   26   29   34   36   39   40   41   43   46   46 
LCS_GDT     E   109_A     E   109_A      4   10   25      7    8    9   10   12   14   14   15   20   22   27   31   34   36   39   40   41   43   46   46 
LCS_GDT     C   110_A     C   110_A      4    9   25      3    4    6    9   10   11   13   15   16   20   22   27   31   35   39   40   41   43   46   52 
LCS_GDT     V   111_A     V   111_A      4    9   25      3    4    8    9   10   11   12   14   16   19   22   27   29   35   37   40   41   43   46   52 
LCS_GDT     E   112_A     E   112_A      7    9   25      3    6    9   10   12   14   15   18   21   24   27   31   34   36   39   40   41   43   46   49 
LCS_GDT     L   113_A     L   113_A      7    9   25      3    6    9   10   12   14   14   18   21   25   29   31   34   36   39   40   41   43   46   52 
LCS_GDT     I   114_A     I   114_A      7    9   25      3    6    6    9   12   14   14   15   16   20   23   27   30   36   39   40   41   43   46   52 
LCS_GDT     D   115_A     D   115_A      7    9   25      3    6    6    9   11   14   14   16   19   25   29   31   34   36   39   40   41   43   46   49 
LCS_GDT     K   116_A     K   116_A      7    9   25      3    6    6    9   12   14   14   15   18   23   26   30   32   36   39   39   41   43   46   52 
LCS_GDT     L   117_A     L   117_A      7    9   25      3    6    6    9   10   12   14   15   16   20   22   25   27   28   32   35   38   41   47   53 
LCS_GDT     D   118_A     D   118_A      7    9   28      0    3    6    9   10   12   14   15   16   20   22   25   30   31   35   37   39   41   46   53 
LCS_GDT     W   119_A     W   119_A      3    8   28      3    4    5    8   10   11   13   15   17   20   25   27   31   33   36   42   43   46   50   54 
LCS_GDT     L   120_A     L   120_A      3    5   28      2    4    5    8   10   11   18   20   22   24   27   29   32   34   36   42   43   46   50   54 
LCS_GDT     R   121_A     R   121_A      3    5   28      2    3    3   16   17   17   20   20   23   27   29   31   32   34   36   42   43   46   50   54 
LCS_GDT     V   122_A     V   122_A      3    5   28      3    3    7   11   13   17   20   20   23   27   29   31   32   34   36   42   43   46   50   54 
LCS_GDT     E   123_A     E   123_A      3    5   28      3    4    4    4    9   15   19   20   22   24   29   31   32   34   36   42   43   46   50   54 
LCS_GDT     N   124_A     N   124_A      3    5   28      3    4    5    8   10   10   12   14   22   24   25   29   32   34   36   42   43   46   50   54 
LCS_GDT     D   125_A     D   125_A      3    4   28      3    4    5    6    8    9   12   14   19   24   29   31   32   34   36   42   43   46   50   54 
LCS_GDT     V   126_A     V   126_A      3    4   28      3    3    4    5    6    9   15   18   22   25   29   31   32   34   36   42   43   46   50   54 
LCS_GDT     I   127_A     I   127_A      3   17   29      3    3    6    9   11   16   20   20   23   27   29   31   32   34   36   42   43   46   50   54 
LCS_GDT     Q   128_A     Q   128_A     15   17   29      5   14   15   16   17   17   20   20   23   27   29   31   32   34   36   40   43   46   50   54 
LCS_GDT     Y   129_A     Y   129_A     15   17   29     10   14   15   16   17   17   20   20   23   27   29   31   32   34   36   37   39   44   48   53 
LCS_GDT     P   130_A     P   130_A     15   17   29     10   14   15   16   17   17   20   20   23   27   29   31   32   34   36   37   39   44   48   53 
LCS_GDT     T   131_A     T   131_A     15   17   29     10   14   15   16   17   17   20   20   23   27   29   31   32   34   36   39   43   45   50   54 
LCS_GDT     L   132_A     L   132_A     15   17   29     10   14   15   16   17   17   20   20   23   27   29   31   32   34   36   39   43   46   50   54 
LCS_GDT     S   133_A     S   133_A     15   17   29     10   14   15   16   17   17   20   20   23   27   29   31   32   34   36   37   39   44   46   53 
LCS_GDT     K   134_A     K   134_A     15   17   29     10   14   15   16   17   17   20   20   23   27   29   31   32   34   36   37   39   41   42   45 
LCS_GDT     L   135_A     L   135_A     15   17   29     10   14   15   16   17   17   20   20   23   27   29   31   32   34   36   39   43   45   50   54 
LCS_GDT     L   136_A     L   136_A     15   17   34     10   14   15   16   17   17   20   20   23   27   29   31   32   34   36   37   43   45   50   53 
LCS_GDT     E   137_A     E   137_A     15   17   34     10   14   15   16   17   17   20   20   23   27   29   31   32   34   36   37   39   41   43   47 
LCS_GDT     L   138_A     L   138_A     15   17   34     10   14   15   16   17   17   20   20   23   27   29   31   32   34   36   37   39   41   43   47 
LCS_GDT     Y   139_A     Y   139_A     15   17   34      9   14   15   16   17   17   20   20   23   27   29   31   32   34   36   37   43   45   50   54 
LCS_GDT     N   140_A     N   140_A     15   17   34     10   14   15   16   17   17   20   20   23   27   29   31   32   34   36   37   39   41   45   51 
LCS_GDT     S   141_A     S   141_A     15   17   34      4   14   15   16   17   17   20   20   23   27   29   31   32   34   36   37   39   41   43   47 
LCS_GDT     Q   142_A     Q   142_A     15   17   34      4   10   14   16   17   17   20   20   23   27   29   31   32   34   36   37   39   41   43   47 
LCS_GDT     N   143_A     N   143_A      4   17   34      4    4    5   13   16   17   20   20   23   27   29   31   32   34   36   37   39   42   47   53 
LCS_GDT     H   147_A     H   147_A      0    3   34      0    1    3    6    7   10   12   15   20   24   28   29   32   34   36   42   43   46   50   54 
LCS_GDT     L   148_A     L   148_A      3   11   34      0    3    3    6    7    9   12   15   20   24   28   29   32   34   36   42   43   46   50   54 
LCS_GDT     S   149_A     S   149_A     10   11   34      3    9   10   10   10   10   12   15   19   21   28   29   32   34   36   42   43   46   50   54 
LCS_GDT     I   150_A     I   150_A     10   11   34      8    9   10   10   10   11   13   17   20   22   24   27   32   34   35   42   43   46   50   54 
LCS_GDT     E   151_A     E   151_A     10   11   34      8    9   10   10   10   11   14   17   20   22   28   29   32   34   36   42   43   46   50   54 
LCS_GDT     K   152_A     K   152_A     10   11   36      8    9   10   10   10   11   18   18   20   24   28   29   32   34   36   37   39   46   50   54 
LCS_GDT     L   153_A     L   153_A     10   11   36      8    9   10   10   10   10   11   15   20   24   28   29   32   34   36   42   43   46   50   54 
LCS_GDT     I   154_A     I   154_A     10   11   36      8    9   10   13   16   17   18   19   20   24   27   29   32   34   36   42   43   46   50   54 
LCS_GDT     A   155_A     A   155_A     10   11   36      8   16   16   16   16   18   21   24   25   27   29   31   32   34   36   37   39   41   44   47 
LCS_GDT     G   156_A     G   156_A     10   11   36      8    9   10   10   10   10   13   17   20   24   28   29   32   34   36   37   39   41   44   46 
LCS_GDT     L   157_A     L   157_A     10   11   36      8    9   10   10   10   10   13   16   20   24   27   29   32   34   36   37   39   41   44   46 
LCS_GDT     A   158_A     A   158_A     10   11   36      8    9   10   17   19   21   23   25   26   28   30   31   32   34   36   37   39   41   44   46 
LCS_GDT     V   159_A     V   159_A      4   11   36      3    4    5   12   19   21   23   26   28   29   30   31   32   34   36   37   39   41   44   46 
LCS_GDT     R   160_A     R   160_A     10   13   36      8    9   10   14   16   21   23   26   28   29   30   31   32   34   36   36   39   41   44   46 
LCS_GDT     R   161_A     R   161_A     10   13   36      8    9   10   14   16   18   23   26   28   29   30   31   32   34   36   36   39   41   44   46 
LCS_GDT     K   162_A     K   162_A     10   13   36      8    9   10   14   16   18   23   26   28   29   30   31   32   34   36   36   38   40   44   46 
LCS_GDT     V   163_A     V   163_A     10   13   36      8    9   10   17   19   21   23   26   28   29   30   31   32   34   36   42   43   46   50   54 
LCS_GDT     C   164_A     C   164_A     10   13   36      8    9   10   14   16   21   23   26   28   29   30   31   32   34   36   36   43   46   50   54 
LCS_GDT     K   165_A     K   165_A     10   13   36      8    9   10   14   16   21   23   26   28   29   30   31   32   34   35   42   43   46   50   54 
LCS_GDT     L   166_A     L   166_A     10   13   36      8    9   10   17   19   21   23   26   28   29   30   31   32   34   36   42   43   46   50   54 
LCS_GDT     V   167_A     V   167_A     10   13   36      8    9   10   14   18   21   23   26   28   29   30   31   32   34   36   42   43   46   50   54 
LCS_GDT     Q   168_A     Q   168_A     10   13   36      3    9   10   14   16   18   23   26   28   29   30   31   32   34   35   42   43   46   50   54 
LCS_GDT     D   169_A     D   169_A     10   13   36      3    4   10   14   16   18   23   26   28   29   30   31   32   34   36   42   43   46   50   54 
LCS_GDT     G   170_A     G   170_A      3   13   36      0    3    3   14   16   18   20   23   28   29   30   31   32   34   36   39   43   45   50   54 
LCS_GDT     H   171_A     H   171_A      3   17   36      3    3    3    4   16   17   20   23   28   29   30   31   32   34   36   39   43   45   50   54 
LCS_GDT     I   172_A     I   172_A      3   17   36      3    3   10   14   16   18   20   21   23   29   30   31   32   34   36   39   43   45   50   54 
LCS_GDT     D   173_A     D   173_A     15   17   36     11   16   16   16   19   21   23   26   28   29   30   31   31   32   36   39   43   45   50   54 
LCS_GDT     E   174_A     E   174_A     15   17   36     11   16   16   17   19   21   23   26   28   29   30   31   31   32   35   39   43   45   50   54 
LCS_GDT     T   175_A     T   175_A     15   17   36     11   16   16   17   19   21   23   26   28   29   30   31   31   32   36   39   43   45   50   54 
LCS_GDT     V   176_A     V   176_A     15   17   36     11   16   16   17   19   21   23   26   28   29   30   31   32   34   36   42   43   46   50   54 
LCS_GDT     Y   177_A     Y   177_A     15   17   36     11   16   16   17   19   21   23   26   28   29   30   31   31   32   36   42   43   46   50   54 
LCS_GDT     R   178_A     R   178_A     15   17   36     11   16   16   17   19   21   23   26   28   29   30   31   31   32   36   42   43   46   50   54 
LCS_GDT     A   179_A     A   179_A     15   17   36     11   16   16   17   19   21   23   26   28   29   30   31   31   32   36   42   43   46   50   54 
LCS_GDT     L   180_A     L   180_A     15   17   36     11   16   16   17   19   21   23   26   28   29   30   31   32   34   36   42   43   46   50   54 
LCS_GDT     D   181_A     D   181_A     15   17   36     11   16   16   17   19   21   23   26   28   29   30   31   32   34   36   42   43   46   50   54 
LCS_GDT     E   182_A     E   182_A     15   17   36     11   16   16   17   19   21   23   26   28   29   30   31   32   34   36   42   43   46   50   54 
LCS_GDT     M   183_A     M   183_A     15   17   36     11   16   16   17   19   21   23   26   28   29   30   31   32   34   36   42   43   46   50   54 
LCS_GDT     A   184_A     A   184_A     15   17   36     11   16   16   17   19   21   23   26   28   29   30   31   32   34   36   42   43   46   50   54 
LCS_GDT     A   185_A     A   185_A     15   17   36      4   16   16   17   19   21   23   26   28   29   30   31   32   34   36   42   43   46   50   54 
LCS_GDT     G   186_A     G   186_A     15   17   36      4   16   16   17   19   21   23   26   28   29   30   31   31   32   34   42   43   46   50   54 
LCS_GDT     A   187_A     A   187_A     15   17   36      8   16   16   17   19   21   23   26   28   29   30   31   32   34   36   37   39   41   44   49 
LCS_AVERAGE  LCS_A:  13.97  (   7.66    9.87   24.37 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT     11     17     18     19     20     21     23     26     28     29     30     31     34     36     39     42     43     46     50     54 
GDT PERCENT_AT   8.73  13.49  14.29  15.08  15.87  16.67  18.25  20.63  22.22  23.02  23.81  24.60  26.98  28.57  30.95  33.33  34.13  36.51  39.68  42.86
GDT RMS_LOCAL    0.26   0.50   0.67   0.81   0.94   1.83   2.17   2.49   2.88   3.02   3.14   3.35   4.50   4.73   5.14   6.16   6.04   6.43   6.70   7.07
GDT RMS_ALL_AT  25.88  29.32  29.06  28.93  28.88  30.19  31.46  32.25  32.59  32.70  32.17  31.57  28.75  28.32  28.30  14.39  14.74  14.31  14.50  14.53

# Checking swapping
#   possible swapping detected:  Y    82_A      Y    82_A
#   possible swapping detected:  E    89_A      E    89_A
#   possible swapping detected:  E   109_A      E   109_A
#   possible swapping detected:  E   112_A      E   112_A
#   possible swapping detected:  D   118_A      D   118_A
#   possible swapping detected:  Y   129_A      Y   129_A
#   possible swapping detected:  Y   139_A      Y   139_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    49.489     6    0.542   0.551    51.360    0.000    0.000
LGA    R    60_A      R    60_A    49.266     6    0.652   0.592    51.688    0.000    0.000
LGA    V    61_A      V    61_A    45.049     0    0.555   0.917    48.402    0.000    0.000
LGA    K    62_A      K    62_A    43.618     0    0.606   0.742    44.388    0.000    0.000
LGA    L    63_A      L    63_A    44.458     0    0.624   1.028    49.939    0.000    0.000
LGA    R    64_A      R    64_A    37.691     6    0.574   0.568    40.204    0.000    0.000
LGA    K    65_A      K    65_A    38.205     0    0.025   0.721    40.185    0.000    0.000
LGA    H    66_A      H    66_A    41.219     0    0.147   0.261    43.656    0.000    0.000
LGA    L    67_A      L    67_A    40.204     0    0.606   0.565    41.058    0.000    0.000
LGA    V    68_A      V    68_A    39.868     0    0.619   1.018    40.941    0.000    0.000
LGA    E    69_A      E    69_A    42.503     0    0.634   0.526    44.151    0.000    0.000
LGA    I    70_A      I    70_A    47.671     0    0.373   1.076    52.262    0.000    0.000
LGA    N    71_A      N    71_A    44.740     0    0.415   1.108    46.689    0.000    0.000
LGA    A    72_A      A    72_A    48.704     0    0.558   0.513    50.096    0.000    0.000
LGA    D    73_A      D    73_A    45.288     0    0.327   1.233    46.524    0.000    0.000
LGA    E    74_A      E    74_A    45.409     0    0.157   0.932    49.614    0.000    0.000
LGA    I    75_A      I    75_A    47.489     0    0.562   1.397    52.232    0.000    0.000
LGA    T    76_A      T    76_A    42.692     0    0.616   0.532    44.136    0.000    0.000
LGA    I    77_A      I    77_A    40.068     0    0.622   1.316    42.628    0.000    0.000
LGA    T    78_A      T    78_A    39.333     0    0.628   0.998    40.570    0.000    0.000
LGA    L    79_A      L    79_A    41.207     0    0.642   1.536    47.344    0.000    0.000
LGA    S    80_A      S    80_A    35.450     0    0.635   0.753    37.581    0.000    0.000
LGA    R    81_A      R    81_A    36.144     0    0.111   1.422    37.951    0.000    0.000
LGA    Y    82_A      Y    82_A    39.734     0    0.667   0.515    40.592    0.000    0.000
LGA    T    83_A      T    83_A    43.321     0    0.630   0.577    46.175    0.000    0.000
LGA    S    84_A      S    84_A    47.206     0    0.119   0.645    50.822    0.000    0.000
LGA    P    85_A      P    85_A    47.908     0    0.047   0.130    49.411    0.000    0.000
LGA    E    86_A      E    86_A    52.052     0    0.065   0.292    54.254    0.000    0.000
LGA    A    87_A      A    87_A    49.810     0    0.071   0.067    50.453    0.000    0.000
LGA    L    88_A      L    88_A    46.772     0    0.067   1.449    47.857    0.000    0.000
LGA    E    89_A      E    89_A    50.241     0    0.033   1.194    54.378    0.000    0.000
LGA    R    90_A      R    90_A    51.924     0    0.038   1.511    54.817    0.000    0.000
LGA    S    91_A      S    91_A    47.918     0    0.030   0.048    49.232    0.000    0.000
LGA    I    92_A      I    92_A    47.325     0    0.097   0.299    48.656    0.000    0.000
LGA    T    93_A      T    93_A    51.031     0    0.042   1.152    54.386    0.000    0.000
LGA    A    94_A      A    94_A    50.096     0    0.086   0.101    50.435    0.000    0.000
LGA    L    95_A      L    95_A    46.524     0    0.037   0.198    47.633    0.000    0.000
LGA    A    96_A      A    96_A    48.809     0    0.059   0.157    49.847    0.000    0.000
LGA    A    97_A      A    97_A    51.524     0    0.101   0.102    52.563    0.000    0.000
LGA    M    98_A      M    98_A    48.503     0    0.059   1.263    49.425    0.000    0.000
LGA    T    99_A      T    99_A    46.328     0    0.034   0.044    47.628    0.000    0.000
LGA    G   100_A      G   100_A    50.644     0    0.120   0.120    52.246    0.000    0.000
LGA    H   101_A      H   101_A    51.671     5    0.146   0.212    51.671    0.000    0.000
LGA    A   102_A      A   102_A    52.036     0    0.146   0.213    53.964    0.000    0.000
LGA    P   103_A      P   103_A    47.497     0    0.128   0.172    49.302    0.000    0.000
LGA    S   104_A      S   104_A    51.449     0    0.065   0.076    55.483    0.000    0.000
LGA    S   105_A      S   105_A    50.965     0    0.062   0.690    52.901    0.000    0.000
LGA    I   106_A      I   106_A    44.208     0    0.192   0.674    46.726    0.000    0.000
LGA    K   107_A      K   107_A    43.080     0    0.466   1.111    51.022    0.000    0.000
LGA    E   108_A      E   108_A    42.532     3    0.213   0.761    43.536    0.000    0.000
LGA    E   109_A      E   109_A    42.866     0    0.224   1.055    46.423    0.000    0.000
LGA    C   110_A      C   110_A    39.801     0    0.124   0.724    41.550    0.000    0.000
LGA    V   111_A      V   111_A    40.472     0    0.057   0.977    43.705    0.000    0.000
LGA    E   112_A      E   112_A    36.728     0    0.465   1.137    38.796    0.000    0.000
LGA    L   113_A      L   113_A    34.790     0    0.067   0.842    37.876    0.000    0.000
LGA    I   114_A      I   114_A    30.374     0    0.059   1.189    32.192    0.000    0.000
LGA    D   115_A      D   115_A    29.841     0    0.132   1.174    33.449    0.000    0.000
LGA    K   116_A      K   116_A    29.972     2    0.222   0.657    33.108    0.000    0.000
LGA    L   117_A      L   117_A    26.940     0    0.670   0.663    29.189    0.000    0.000
LGA    D   118_A      D   118_A    21.483     0    0.625   1.220    23.082    0.000    0.000
LGA    W   119_A      W   119_A    22.844     0    0.538   0.489    30.842    0.000    0.000
LGA    L   120_A      L   120_A    17.004     0    0.631   1.088    19.053    0.000    0.000
LGA    R   121_A      R   121_A    14.198     0    0.339   1.186    14.823    0.000    0.000
LGA    V   122_A      V   122_A    14.423     0    0.298   1.020    16.955    0.000    0.000
LGA    E   123_A      E   123_A    15.852     4    0.349   0.362    19.466    0.000    0.000
LGA    N   124_A      N   124_A    22.654     0    0.618   0.759    26.608    0.000    0.000
LGA    D   125_A      D   125_A    21.856     0    0.604   1.132    24.268    0.000    0.000
LGA    V   126_A      V   126_A    26.654     0    0.599   0.547    31.023    0.000    0.000
LGA    I   127_A      I   127_A    24.242     0    0.614   0.641    24.877    0.000    0.000
LGA    Q   128_A      Q   128_A    23.919     0    0.613   0.948    23.923    0.000    0.000
LGA    Y   129_A      Y   129_A    25.801     0    0.051   1.449    28.684    0.000    0.000
LGA    P   130_A      P   130_A    27.827     0    0.113   0.347    31.266    0.000    0.000
LGA    T   131_A      T   131_A    22.799     0    0.038   0.166    24.548    0.000    0.000
LGA    L   132_A      L   132_A    18.921     0    0.069   0.880    20.361    0.000    0.000
LGA    S   133_A      S   133_A    23.131     0    0.047   0.085    27.362    0.000    0.000
LGA    K   134_A      K   134_A    24.697     4    0.130   0.135    25.896    0.000    0.000
LGA    L   135_A      L   135_A    18.523     0    0.038   1.383    20.556    0.000    0.000
LGA    L   136_A      L   136_A    16.946     0    0.049   1.314    18.358    0.000    0.000
LGA    E   137_A      E   137_A    22.221     4    0.042   0.048    24.862    0.000    0.000
LGA    L   138_A      L   138_A    21.797     3    0.051   0.053    21.920    0.000    0.000
LGA    Y   139_A      Y   139_A    15.704     0    0.046   1.151    17.641    0.000    0.000
LGA    N   140_A      N   140_A    16.297     0    0.629   1.195    19.463    0.000    0.000
LGA    S   141_A      S   141_A    20.776     0    0.514   0.903    22.918    0.000    0.000
LGA    Q   142_A      Q   142_A    20.875     4    0.304   0.294    21.311    0.000    0.000
LGA    N   143_A      N   143_A    17.500     3    0.570   0.536    18.641    0.000    0.000
LGA    H   147_A      H   147_A    19.087     0    0.204   1.260    26.959    0.000    0.000
LGA    L   148_A      L   148_A    15.845     0    0.587   1.003    17.751    0.000    0.000
LGA    S   149_A      S   149_A    19.525     0    0.618   0.906    20.682    0.000    0.000
LGA    I   150_A      I   150_A    20.608     0    0.059   1.239    25.194    0.000    0.000
LGA    E   151_A      E   151_A    15.256     0    0.041   1.273    17.193    0.000    0.000
LGA    K   152_A      K   152_A    12.154     0    0.045   0.623    14.117    0.000    0.000
LGA    L   153_A      L   153_A    15.841     0    0.054   0.951    21.569    0.000    0.000
LGA    I   154_A      I   154_A    13.749     0    0.051   0.190    18.338    0.000    0.000
LGA    A   155_A      A   155_A     7.691     0    0.029   0.034    10.063    9.643   10.381
LGA    G   156_A      G   156_A     9.567     0    0.036   0.036     9.678    1.310    1.310
LGA    L   157_A      L   157_A    10.694     0    0.099   0.316    17.244    1.905    0.952
LGA    A   158_A      A   158_A     5.437     0    0.281   0.278     7.259   27.619   25.524
LGA    V   159_A      V   159_A     3.575     0    0.274   1.232     7.605   52.381   38.503
LGA    R   160_A      R   160_A     2.342     0    0.552   1.122     8.514   67.024   39.654
LGA    R   161_A      R   161_A     3.901     0    0.068   1.408    13.280   48.333   22.987
LGA    K   162_A      K   162_A     3.275     0    0.104   0.584     7.637   53.571   36.772
LGA    V   163_A      V   163_A     1.250     0    0.042   0.107     1.872   79.286   80.204
LGA    C   164_A      C   164_A     2.153     0    0.047   0.759     4.102   68.929   61.667
LGA    K   165_A      K   165_A     1.908     0    0.070   0.891     6.426   77.143   52.275
LGA    L   166_A      L   166_A     1.520     0    0.145   0.758     3.873   72.976   64.524
LGA    V   167_A      V   167_A     2.153     0    0.114   0.234     3.394   63.333   65.374
LGA    Q   168_A      Q   168_A     3.383     0    0.047   1.184     6.082   45.476   41.429
LGA    D   169_A      D   169_A     4.257     0    0.664   1.256     5.303   34.524   38.988
LGA    G   170_A      G   170_A     7.133     0    0.650   0.650     7.133   17.500   17.500
LGA    H   171_A      H   171_A     6.460     0    0.482   1.634    12.354   17.262    8.190
LGA    I   172_A      I   172_A     7.017     0    0.542   1.322    11.236   16.667    9.226
LGA    D   173_A      D   173_A     2.686     0    0.521   1.082     6.394   61.190   48.274
LGA    E   174_A      E   174_A     2.664     4    0.102   0.099     3.236   62.857   33.492
LGA    T   175_A      T   175_A     1.582     0    0.044   1.212     4.778   77.143   70.748
LGA    V   176_A      V   176_A     1.857     0    0.060   1.144     5.280   75.000   67.687
LGA    Y   177_A      Y   177_A     2.577     7    0.049   0.085     3.364   64.881   25.794
LGA    R   178_A      R   178_A     1.908     0    0.068   1.107     7.398   75.000   46.320
LGA    A   179_A      A   179_A     1.618     0    0.038   0.070     2.484   81.548   78.190
LGA    L   180_A      L   180_A     2.422     0    0.050   0.097     4.200   66.786   54.345
LGA    D   181_A      D   181_A     2.575     0    0.041   0.799     4.225   64.881   54.167
LGA    E   182_A      E   182_A     1.678     0    0.047   1.375     8.011   81.548   51.323
LGA    M   183_A      M   183_A     2.198     0    0.088   1.327     4.457   68.929   56.250
LGA    A   184_A      A   184_A     2.974     0    0.083   0.086     3.393   57.262   55.810
LGA    A   185_A      A   185_A     2.126     0    0.717   0.668     3.436   65.119   65.048
LGA    G   186_A      G   186_A     0.702     0    0.070   0.070     0.974   90.476   90.476
LGA    A   187_A      A   187_A     1.782     0    0.485   0.585     2.227   77.381   74.857

# 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):    13.444         13.347                 13.870           14.483   11.811

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  187  126    4.0     26    2.49    20.635    17.523     1.005

LGA_LOCAL      RMSD:   2.488  Number of atoms:   26  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  32.251  Number of assigned atoms:  126 
Std_ASGN_ATOMS RMSD:  13.444  Standard rmsd on all 126 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.276803 * X  +   0.379766 * Y  +  -0.882699 * Z  +   4.727848
  Y_new =  -0.758747 * X  +  -0.650047 * Y  +  -0.041738 * Z  +  35.149536
  Z_new =  -0.589647 * X  +   0.658192 * Y  +   0.468081 * Z  +  14.484785 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.920609  0.630622  0.952618   [DEG: -110.0428   36.1320   54.5810 ]
ZXZ: -1.523546  1.083679 -0.730523   [DEG:  -87.2928   62.0902  -41.8559 ]
 
# END of job
