
#######################################################
#                                                     #
#                        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:    59      69_A - 127_A       4.98    25.16
  LCS_AVERAGE:     36.69

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    42      77_A - 118_A       1.82    24.76
  LCS_AVERAGE:     20.10

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    37      81_A - 117_A       0.95    24.19
  LCS_AVERAGE:     15.22

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  126
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     R    59_A     R    59_A      3    4   10      3    3    3    5    7    8    9   12   18   24   25   28   29   31   33   35   36   39   39   40 
LCS_GDT     R    60_A     R    60_A      3    4   10      3    3    3    4    5    5    5   12   20   23   25   28   28   31   33   35   36   39   39   40 
LCS_GDT     V    61_A     V    61_A      3    4   10      3    3    3    4    5    9   15   19   22   24   25   28   29   31   33   35   36   39   39   40 
LCS_GDT     K    62_A     K    62_A      3    4   10      1    4    4    5    7    8   10   15   22   24   25   28   29   31   33   35   36   39   41   46 
LCS_GDT     L    63_A     L    63_A      3    4   13      0    4    4    4    5    5   10   14   18   24   25   28   29   31   33   35   39   41   47   48 
LCS_GDT     R    64_A     R    64_A      4    5   13      3    4    4    5    5    5    8   14   17   22   25   28   29   31   33   39   42   44   47   50 
LCS_GDT     K    65_A     K    65_A      4    5   13      3    4    4    5    8    9   12   13   17   20   24   28   29   31   33   39   42   44   47   51 
LCS_GDT     H    66_A     H    66_A      4    5   13      3    4    4    5    8    9   12   13   17   20   24   28   29   31   34   39   42   44   47   51 
LCS_GDT     L    67_A     L    67_A      4    5   13      3    4    4    5    5    5    9   16   22   24   25   28   29   31   33   39   42   44   47   51 
LCS_GDT     V    68_A     V    68_A      3    5   54      1    3    4    6   10   15   21   22   22   23   25   28   29   31   34   39   42   44   48   50 
LCS_GDT     E    69_A     E    69_A      3    3   59      3    3    4    4    6    7   21   22   29   33   36   43   45   49   50   52   55   56   57   57 
LCS_GDT     I    70_A     I    70_A      3    3   59      3    3    4    4    4    4    6    9   11   14   39   45   45   47   49   51   55   56   57   57 
LCS_GDT     N    71_A     N    71_A      3    4   59      3    3    4    5    6    8   12   25   34   41   43   45   49   50   51   53   55   56   57   57 
LCS_GDT     A    72_A     A    72_A      4    5   59      3    4    4    5    6   17   19   27   35   41   44   46   49   50   51   53   55   56   57   57 
LCS_GDT     D    73_A     D    73_A      4    5   59      3    4    4    5    8    9   11   18   22   28   32   41   46   47   47   48   53   55   56   57 
LCS_GDT     E    74_A     E    74_A      4    5   59      3    4    4    5    6    7    8   18   21   23   29   32   38   41   44   48   49   52   53   57 
LCS_GDT     I    75_A     I    75_A      4    5   59      3    4    4    6    8    9   11   18   25   28   38   45   49   50   51   53   54   56   57   57 
LCS_GDT     T    76_A     T    76_A      3    5   59      1    3    4    5    6    7    8   18   41   43   46   47   50   50   51   53   55   56   57   57 
LCS_GDT     I    77_A     I    77_A      3   42   59      1    3    3    5    5    9   25   33   39   43   46   47   50   50   51   53   55   56   57   57 
LCS_GDT     T    78_A     T    78_A      3   42   59      1    5   11   19   29   36   40   42   43   44   46   47   50   50   51   53   55   56   57   57 
LCS_GDT     L    79_A     L    79_A      3   42   59      1    4   11   25   38   40   41   42   43   44   46   47   50   50   51   53   55   56   57   57 
LCS_GDT     S    80_A     S    80_A      3   42   59      0    3    7   18   37   40   41   42   43   44   46   47   50   50   51   53   55   56   57   57 
LCS_GDT     R    81_A     R    81_A     37   42   59      2   20   35   37   38   40   41   42   43   44   46   47   50   50   51   53   55   56   57   57 
LCS_GDT     Y    82_A     Y    82_A     37   42   59      2   28   35   37   38   40   41   42   43   44   46   47   50   50   51   53   55   56   57   57 
LCS_GDT     T    83_A     T    83_A     37   42   59      3   19   33   37   38   40   41   42   43   44   46   47   50   50   51   53   55   56   57   57 
LCS_GDT     S    84_A     S    84_A     37   42   59      3   23   33   37   38   40   41   42   43   44   46   47   50   50   51   53   55   56   57   57 
LCS_GDT     P    85_A     P    85_A     37   42   59      9   26   35   37   38   40   41   42   43   44   46   47   50   50   51   53   55   56   57   57 
LCS_GDT     E    86_A     E    86_A     37   42   59     10   27   35   37   38   40   41   42   43   44   46   47   50   50   51   53   55   56   57   57 
LCS_GDT     A    87_A     A    87_A     37   42   59     11   27   35   37   38   40   41   42   43   44   46   47   50   50   51   53   55   56   57   57 
LCS_GDT     L    88_A     L    88_A     37   42   59     12   27   35   37   38   40   41   42   43   44   46   47   50   50   51   53   55   56   57   57 
LCS_GDT     E    89_A     E    89_A     37   42   59     16   28   35   37   38   40   41   42   43   44   46   47   50   50   51   53   55   56   57   57 
LCS_GDT     R    90_A     R    90_A     37   42   59     16   28   35   37   38   40   41   42   43   44   46   47   50   50   51   53   55   56   57   57 
LCS_GDT     S    91_A     S    91_A     37   42   59     16   28   35   37   38   40   41   42   43   44   46   47   50   50   51   53   55   56   57   57 
LCS_GDT     I    92_A     I    92_A     37   42   59     16   28   35   37   38   40   41   42   43   44   46   47   50   50   51   53   55   56   57   57 
LCS_GDT     T    93_A     T    93_A     37   42   59     11   28   35   37   38   40   41   42   43   44   46   47   50   50   51   53   55   56   57   57 
LCS_GDT     A    94_A     A    94_A     37   42   59     11   28   35   37   38   40   41   42   43   44   46   47   50   50   51   53   55   56   57   57 
LCS_GDT     L    95_A     L    95_A     37   42   59     16   28   35   37   38   40   41   42   43   44   46   47   50   50   51   53   55   56   57   57 
LCS_GDT     A    96_A     A    96_A     37   42   59     11   28   35   37   38   40   41   42   43   44   46   47   50   50   51   53   55   56   57   57 
LCS_GDT     A    97_A     A    97_A     37   42   59     11   22   35   37   38   40   41   42   43   44   46   47   50   50   51   53   55   56   57   57 
LCS_GDT     M    98_A     M    98_A     37   42   59      9   28   35   37   38   40   41   42   43   44   46   47   50   50   51   53   55   56   57   57 
LCS_GDT     T    99_A     T    99_A     37   42   59     16   28   35   37   38   40   41   42   43   44   46   47   50   50   51   53   55   56   57   57 
LCS_GDT     G   100_A     G   100_A     37   42   59      9   27   35   37   38   40   41   42   43   44   46   47   50   50   51   53   55   56   57   57 
LCS_GDT     H   101_A     H   101_A     37   42   59     16   28   35   37   38   40   41   42   43   44   46   47   50   50   51   53   55   56   57   57 
LCS_GDT     A   102_A     A   102_A     37   42   59     16   28   35   37   38   40   41   42   43   44   46   47   50   50   51   53   55   56   57   57 
LCS_GDT     P   103_A     P   103_A     37   42   59     16   28   35   37   38   40   41   42   43   44   46   47   50   50   51   53   55   56   57   57 
LCS_GDT     S   104_A     S   104_A     37   42   59     16   28   35   37   38   40   41   42   43   44   46   47   50   50   51   53   55   56   57   57 
LCS_GDT     S   105_A     S   105_A     37   42   59     16   28   35   37   38   40   41   42   43   44   46   47   50   50   51   53   55   56   57   57 
LCS_GDT     I   106_A     I   106_A     37   42   59     16   28   35   37   38   40   41   42   43   44   46   47   50   50   51   53   55   56   57   57 
LCS_GDT     K   107_A     K   107_A     37   42   59     16   28   35   37   38   40   41   42   43   44   46   47   50   50   51   53   55   56   57   57 
LCS_GDT     E   108_A     E   108_A     37   42   59     16   28   35   37   38   40   41   42   43   44   46   47   50   50   51   53   55   56   57   57 
LCS_GDT     E   109_A     E   109_A     37   42   59     16   28   35   37   38   40   41   42   43   44   46   47   50   50   51   53   55   56   57   57 
LCS_GDT     C   110_A     C   110_A     37   42   59     16   28   35   37   38   40   41   42   43   44   46   47   50   50   51   53   55   56   57   57 
LCS_GDT     V   111_A     V   111_A     37   42   59     16   28   35   37   38   40   41   42   43   44   46   47   50   50   51   53   55   56   57   57 
LCS_GDT     E   112_A     E   112_A     37   42   59     16   28   35   37   38   40   41   42   43   44   46   47   50   50   51   53   55   56   57   57 
LCS_GDT     L   113_A     L   113_A     37   42   59     16   28   35   37   38   40   41   42   43   44   46   47   50   50   51   53   55   56   57   57 
LCS_GDT     I   114_A     I   114_A     37   42   59     11   28   35   37   38   40   41   42   43   44   46   47   50   50   51   53   55   56   57   57 
LCS_GDT     D   115_A     D   115_A     37   42   59     11   28   35   37   38   40   41   42   43   44   46   47   50   50   51   53   55   56   57   57 
LCS_GDT     K   116_A     K   116_A     37   42   59     10   28   35   37   38   40   41   42   43   44   46   47   50   50   51   53   55   56   57   57 
LCS_GDT     L   117_A     L   117_A     37   42   59      6   28   35   37   38   40   41   42   43   44   46   47   50   50   51   53   55   56   57   57 
LCS_GDT     D   118_A     D   118_A     31   42   59      0    3   13   26   36   40   41   42   43   44   46   47   50   50   51   53   55   56   57   57 
LCS_GDT     W   119_A     W   119_A      3   41   59      3    3    3    5    8   13   18   25   40   44   46   47   50   50   51   53   55   56   57   57 
LCS_GDT     L   120_A     L   120_A      3   20   59      3    4    7   12   17   20   24   28   35   41   46   47   50   50   51   53   55   56   57   57 
LCS_GDT     R   121_A     R   121_A      4   24   59      3    3    6   14   20   24   26   28   42   44   46   47   50   50   51   53   55   56   57   57 
LCS_GDT     V   122_A     V   122_A     10   24   59      3    3   10   16   20   24   26   28   29   31   35   44   48   50   51   53   54   56   57   57 
LCS_GDT     E   123_A     E   123_A     12   24   59      3    3   11   15   20   37   40   41   43   44   46   47   50   50   51   53   55   56   57   57 
LCS_GDT     N   124_A     N   124_A     12   24   59      3    8   16   33   38   40   41   42   43   44   46   47   50   50   51   53   55   56   57   57 
LCS_GDT     D   125_A     D   125_A     12   24   59      5    9   13   18   20   24   29   36   40   44   46   47   50   50   51   52   55   56   57   57 
LCS_GDT     V   126_A     V   126_A     12   24   59      3    4   12   16   20   24   29   36   40   44   46   47   50   50   51   53   55   56   57   57 
LCS_GDT     I   127_A     I   127_A     17   24   59      5    9   13   18   20   24   26   28   32   39   45   46   48   50   51   52   55   55   57   57 
LCS_GDT     Q   128_A     Q   128_A     17   24   57      5   15   16   18   20   24   26   28   29   31   36   40   44   47   50   52   53   55   56   57 
LCS_GDT     Y   129_A     Y   129_A     17   24   56      8   15   16   18   20   24   26   28   29   31   36   40   44   47   50   52   53   55   56   57 
LCS_GDT     P   130_A     P   130_A     17   24   54      9   15   16   18   20   24   26   28   29   31   31   35   37   43   48   49   52   55   56   57 
LCS_GDT     T   131_A     T   131_A     17   24   47      5   15   16   18   20   24   26   28   29   31   31   35   37   43   48   49   52   55   56   57 
LCS_GDT     L   132_A     L   132_A     17   24   45      9   15   16   18   20   24   26   28   29   31   31   35   43   46   50   52   53   55   56   57 
LCS_GDT     S   133_A     S   133_A     17   24   42      9   15   16   18   20   24   26   28   29   31   31   35   37   43   48   49   52   55   56   57 
LCS_GDT     K   134_A     K   134_A     17   24   37      9   15   16   18   20   24   26   28   29   31   31   35   37   40   41   42   45   49   53   57 
LCS_GDT     L   135_A     L   135_A     17   24   37      9   15   16   18   20   24   26   28   29   31   31   35   37   40   41   42   44   47   53   57 
LCS_GDT     L   136_A     L   136_A     17   24   36      9   15   16   18   20   24   26   28   29   31   31   35   37   40   41   42   44   47   53   57 
LCS_GDT     E   137_A     E   137_A     17   24   33      9   15   16   18   20   24   26   28   29   31   31   35   37   40   41   42   44   47   49   53 
LCS_GDT     L   138_A     L   138_A     17   24   33      9   15   16   18   20   24   26   28   29   31   31   35   37   40   41   42   44   47   48   49 
LCS_GDT     Y   139_A     Y   139_A     17   24   33      8   15   16   18   20   24   26   28   29   31   31   35   37   40   41   42   44   47   48   49 
LCS_GDT     N   140_A     N   140_A     17   24   33      9   15   16   18   20   24   26   28   29   31   31   35   37   40   41   42   44   47   48   49 
LCS_GDT     S   141_A     S   141_A     17   24   33      9   15   16   18   20   24   26   28   29   31   31   35   37   40   41   42   44   47   48   49 
LCS_GDT     Q   142_A     Q   142_A     17   24   33      6   15   16   17   19   22   26   27   29   31   31   35   35   38   39   42   44   47   48   49 
LCS_GDT     N   143_A     N   143_A     17   24   33      6   15   16   18   20   24   26   28   29   31   31   35   37   40   41   42   44   47   48   49 
LCS_GDT     H   147_A     H   147_A     14   24   33      3    8   13   14   20   24   26   28   29   31   31   35   37   40   41   42   44   47   49   52 
LCS_GDT     L   148_A     L   148_A     14   19   33      6   13   13   14   15   15   19   25   27   28   30   32   37   40   41   42   44   47   48   52 
LCS_GDT     S   149_A     S   149_A     14   19   33      7   13   13   14   20   24   26   28   29   31   31   35   37   40   41   42   45   49   53   57 
LCS_GDT     I   150_A     I   150_A     14   15   38      7   13   13   14   15   15   17   18   20   22   24   31   33   37   41   42   45   49   51   54 
LCS_GDT     E   151_A     E   151_A     14   15   38      7   13   13   14   17   19   21   25   27   27   29   32   34   45   50   52   53   55   56   57 
LCS_GDT     K   152_A     K   152_A     14   15   38      7   13   13   14   15   15   21   22   24   26   28   30   32   35   38   42   46   49   51   55 
LCS_GDT     L   153_A     L   153_A     14   15   38      7   13   13   14   15   15   17   18   20   24   27   29   32   35   38   41   42   44   49   54 
LCS_GDT     I   154_A     I   154_A     14   15   38      7   13   13   14   15   15   17   21   24   26   28   30   32   35   38   41   42   44   47   52 
LCS_GDT     A   155_A     A   155_A     14   15   38      7   13   14   14   16   19   22   24   26   29   30   32   32   35   38   41   42   44   47   52 
LCS_GDT     G   156_A     G   156_A     14   15   38      5   13   13   14   16   21   24   27   30   31   31   32   32   35   38   41   42   44   47   51 
LCS_GDT     L   157_A     L   157_A     14   15   38      5   13   13   14   15   15   17   25   28   31   31   32   32   34   36   41   42   44   47   51 
LCS_GDT     A   158_A     A   158_A     14   15   38      6   13   13   14   16   21   24   27   30   31   31   32   32   34   36   41   42   44   47   51 
LCS_GDT     V   159_A     V   159_A     14   15   38      5   13   13   14   15   15   24   27   30   31   31   32   32   34   36   41   42   44   47   51 
LCS_GDT     R   160_A     R   160_A     14   19   38      9   13   13   15   16   19   22   26   30   31   31   32   32   34   35   37   42   44   47   50 
LCS_GDT     R   161_A     R   161_A     14   19   38      9   10   12   15   16   19   21   27   30   31   31   32   32   34   35   37   41   44   46   50 
LCS_GDT     K   162_A     K   162_A     13   19   38      9   10   12   15   16   19   23   27   30   31   31   32   32   34   36   41   42   44   46   51 
LCS_GDT     V   163_A     V   163_A     13   19   38      9   10   12   15   16   21   24   27   30   31   31   32   32   34   36   41   42   44   47   51 
LCS_GDT     C   164_A     C   164_A     13   19   38      9   10   12   15   16   21   24   27   30   31   31   32   32   34   36   41   42   44   47   51 
LCS_GDT     K   165_A     K   165_A     13   19   38      9   10   12   15   16   21   24   27   30   31   31   32   32   34   36   41   42   44   47   51 
LCS_GDT     L   166_A     L   166_A     13   19   38      9   10   12   15   16   21   24   27   30   31   31   32   32   34   36   41   42   44   47   51 
LCS_GDT     V   167_A     V   167_A     13   19   38      9   10   12   15   16   21   24   27   30   31   31   32   32   34   36   41   42   44   47   51 
LCS_GDT     Q   168_A     Q   168_A     13   19   38      9   10   12   15   16   21   24   27   30   31   31   32   32   34   36   41   42   44   47   51 
LCS_GDT     D   169_A     D   169_A     13   19   38      3    6   11   15   16   21   24   27   30   31   31   32   32   34   36   41   41   44   47   51 
LCS_GDT     G   170_A     G   170_A     13   19   38      3    4   12   15   16   19   24   26   30   31   31   32   32   34   35   38   41   44   47   50 
LCS_GDT     H   171_A     H   171_A     16   19   38      3   11   16   16   17   19   24   27   30   31   31   32   32   34   35   38   41   44   47   50 
LCS_GDT     I   172_A     I   172_A     16   19   38      5   15   16   16   17   19   24   27   30   31   31   32   32   35   38   40   41   44   47   51 
LCS_GDT     D   173_A     D   173_A     16   19   38     12   15   16   16   17   21   24   27   30   31   31   32   32   35   38   41   41   44   47   51 
LCS_GDT     E   174_A     E   174_A     16   19   38     12   15   16   16   17   21   24   27   30   31   31   32   32   35   38   41   41   44   47   51 
LCS_GDT     T   175_A     T   175_A     16   19   38     12   15   16   16   17   20   24   27   30   31   31   32   32   35   38   41   41   44   47   51 
LCS_GDT     V   176_A     V   176_A     16   19   38     12   15   16   16   17   21   24   27   30   31   31   32   32   35   38   41   41   44   47   51 
LCS_GDT     Y   177_A     Y   177_A     16   19   38     12   15   16   16   17   21   24   27   30   31   31   32   32   35   38   41   42   44   47   51 
LCS_GDT     R   178_A     R   178_A     16   19   38     12   15   16   16   17   21   24   27   30   31   31   32   32   35   38   41   42   44   47   51 
LCS_GDT     A   179_A     A   179_A     16   18   38     12   15   16   16   17   21   24   27   30   31   31   32   32   35   38   41   42   44   47   51 
LCS_GDT     L   180_A     L   180_A     16   18   38     12   15   16   16   17   21   24   27   30   31   31   32   32   35   38   41   42   44   47   51 
LCS_GDT     D   181_A     D   181_A     16   18   38     12   15   16   16   17   21   24   27   30   31   31   32   32   35   38   41   42   44   47   51 
LCS_GDT     E   182_A     E   182_A     16   18   38     12   15   16   16   17   21   24   27   30   31   31   32   32   35   38   41   42   45   47   52 
LCS_GDT     M   183_A     M   183_A     16   18   38     12   15   16   16   17   21   24   27   30   31   31   32   32   35   38   41   42   46   49   52 
LCS_GDT     A   184_A     A   184_A     16   18   38     12   15   16   16   17   21   24   27   30   31   31   32   32   35   38   41   42   46   51   54 
LCS_GDT     A   185_A     A   185_A     16   18   38      8   15   16   16   17   21   24   27   30   31   31   32   32   35   38   41   45   49   51   54 
LCS_GDT     G   186_A     G   186_A     16   18   38      1    3    6   16   16   19   23   27   30   31   31   32   32   35   38   42   45   49   51   54 
LCS_GDT     A   187_A     A   187_A      3   17   38      0    1    3    3    6    8   11   13   17   17   18   21   25   28   35   41   45   49   51   54 
LCS_AVERAGE  LCS_A:  24.00  (  15.22   20.10   36.69 )

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     16     28     35     37     38     40     41     42     43     44     46     47     50     50     51     53     55     56     57     57 
GDT PERCENT_AT  12.70  22.22  27.78  29.37  30.16  31.75  32.54  33.33  34.13  34.92  36.51  37.30  39.68  39.68  40.48  42.06  43.65  44.44  45.24  45.24
GDT RMS_LOCAL    0.31   0.68   0.86   0.95   1.05   1.23   1.36   1.57   1.85   2.09   2.85   2.90   3.28   3.28   3.51   3.93   4.33   4.36   4.56   4.54
GDT RMS_ALL_AT  24.39  24.40  24.06  24.19  24.30  24.11  24.16  24.38  24.36  24.27  23.36  23.44  23.93  23.93  24.27  25.05  24.53  24.95  24.72  25.17

# 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:  E   112_A      E   112_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

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    R    59_A      R    59_A    26.099     6    0.151   0.173    28.331    0.000    0.000
LGA    R    60_A      R    60_A    24.827     6    0.162   0.165    26.418    0.000    0.000
LGA    V    61_A      V    61_A    23.774     0    0.616   0.936    27.577    0.000    0.000
LGA    K    62_A      K    62_A    20.966     0    0.607   1.005    22.120    0.000    0.000
LGA    L    63_A      L    63_A    23.127     0    0.592   0.508    29.779    0.000    0.000
LGA    R    64_A      R    64_A    23.209     6    0.579   0.578    23.526    0.000    0.000
LGA    K    65_A      K    65_A    25.066     0    0.040   0.719    31.857    0.000    0.000
LGA    H    66_A      H    66_A    21.192     0    0.141   0.222    26.233    0.000    0.000
LGA    L    67_A      L    67_A    16.854     0    0.610   0.601    18.683    0.000    0.000
LGA    V    68_A      V    68_A    15.626     0    0.617   0.922    18.860    0.000    0.000
LGA    E    69_A      E    69_A     9.385     0    0.622   0.919    11.957    2.262    4.021
LGA    I    70_A      I    70_A    10.105     0    0.594   0.690    16.343    1.905    0.952
LGA    N    71_A      N    71_A    10.353     0    0.613   0.592    13.266    0.000    0.000
LGA    A    72_A      A    72_A     9.399     0    0.569   0.537     9.823    0.952    1.714
LGA    D    73_A      D    73_A    11.717     0    0.310   1.330    15.769    0.000    0.000
LGA    E    74_A      E    74_A    14.034     0    0.115   0.867    19.946    0.000    0.000
LGA    I    75_A      I    75_A    10.054     0    0.546   0.802    11.274    0.357    1.905
LGA    T    76_A      T    76_A     6.923     0    0.615   0.563     8.266    9.524   12.245
LGA    I    77_A      I    77_A     7.117     0    0.624   0.710    11.480   12.619    6.726
LGA    T    78_A      T    78_A     5.141     0    0.605   0.568     6.164   30.238   25.918
LGA    L    79_A      L    79_A     2.892     0    0.635   0.680     5.304   45.833   42.500
LGA    S    80_A      S    80_A     2.992     0    0.698   0.866     6.898   66.905   51.190
LGA    R    81_A      R    81_A     1.893     0    0.114   1.171    13.273   75.000   35.411
LGA    Y    82_A      Y    82_A     0.781     0    0.401   0.416     4.251   72.024   63.889
LGA    T    83_A      T    83_A     1.735     0    0.118   0.989     3.091   68.810   67.279
LGA    S    84_A      S    84_A     2.003     0    0.142   0.541     2.155   68.810   68.810
LGA    P    85_A      P    85_A     1.696     0    0.020   0.081     1.857   72.857   72.857
LGA    E    86_A      E    86_A     1.569     0    0.081   1.350     7.542   75.000   50.159
LGA    A    87_A      A    87_A     1.336     0    0.054   0.052     1.490   81.429   81.429
LGA    L    88_A      L    88_A     1.170     0    0.106   0.796     2.105   81.429   77.262
LGA    E    89_A      E    89_A     0.548     0    0.053   0.197     1.203   95.238   92.646
LGA    R    90_A      R    90_A     0.564     0    0.019   1.282     6.278   92.857   70.000
LGA    S    91_A      S    91_A     0.922     0    0.048   0.058     1.492   92.857   89.048
LGA    I    92_A      I    92_A     0.375     0    0.066   0.599     2.504  100.000   91.131
LGA    T    93_A      T    93_A     0.762     0    0.026   0.062     1.069   90.595   89.252
LGA    A    94_A      A    94_A     1.086     0    0.058   0.070     1.251   85.952   85.048
LGA    L    95_A      L    95_A     0.323     0    0.039   1.407     3.730   97.619   84.821
LGA    A    96_A      A    96_A     0.923     0    0.036   0.068     1.157   85.952   86.857
LGA    A    97_A      A    97_A     1.506     0    0.072   0.090     1.749   77.143   76.286
LGA    M    98_A      M    98_A     0.932     0    0.034   0.992     2.173   90.476   82.798
LGA    T    99_A      T    99_A     0.236     0    0.035   0.069     0.731   95.238   97.279
LGA    G   100_A      G   100_A     1.107     0    0.029   0.029     1.223   83.690   83.690
LGA    H   101_A      H   101_A     0.846     5    0.025   0.041     0.891   90.476   45.238
LGA    A   102_A      A   102_A     0.374     0    0.073   0.108     0.548   95.238   96.190
LGA    P   103_A      P   103_A     0.548     0    0.077   0.079     0.589   90.476   93.197
LGA    S   104_A      S   104_A     0.703     0    0.050   0.678     2.024   90.476   86.190
LGA    S   105_A      S   105_A     0.856     0    0.082   0.201     0.949   90.476   90.476
LGA    I   106_A      I   106_A     0.646     0    0.024   0.680     2.364   90.476   87.262
LGA    K   107_A      K   107_A     0.581     0    0.026   0.702     2.878   90.476   81.270
LGA    E   108_A      E   108_A     0.700     3    0.016   0.670     1.761   90.476   58.360
LGA    E   109_A      E   109_A     0.725     0    0.045   0.665     2.453   90.476   87.619
LGA    C   110_A      C   110_A     0.438     0    0.017   0.735     3.330  100.000   90.079
LGA    V   111_A      V   111_A     0.545     0    0.033   0.093     0.848   92.857   91.837
LGA    E   112_A      E   112_A     0.575     0    0.075   0.674     3.190   95.238   76.190
LGA    L   113_A      L   113_A     0.406     0    0.036   1.442     4.278   97.619   76.429
LGA    I   114_A      I   114_A     0.903     0    0.073   0.099     1.672   90.476   82.738
LGA    D   115_A      D   115_A     0.961     0    0.118   0.873     2.232   90.476   81.786
LGA    K   116_A      K   116_A     0.929     2    0.250   0.270     1.530   88.214   67.407
LGA    L   117_A      L   117_A     1.041     0    0.618   0.699     1.609   79.286   82.619
LGA    D   118_A      D   118_A     3.692     0    0.601   1.239     7.439   34.167   24.345
LGA    W   119_A      W   119_A     9.284     0    0.594   1.359    17.093    4.762    1.361
LGA    L   120_A      L   120_A    10.493     0    0.705   0.581    14.381    0.476    0.238
LGA    R   121_A      R   121_A     7.830     0    0.653   0.940     8.912    4.405   12.424
LGA    V   122_A      V   122_A    12.230     0    0.501   1.076    16.410    0.000    0.000
LGA    E   123_A      E   123_A     7.090     4    0.284   0.365     8.965   21.905   10.265
LGA    N   124_A      N   124_A     2.976     0    0.097   0.201     6.342   34.762   45.119
LGA    D   125_A      D   125_A     9.811     0    0.252   1.233    14.161    2.738    1.369
LGA    V   126_A      V   126_A     9.730     0    0.090   1.158    13.493    0.238    1.224
LGA    I   127_A      I   127_A    14.071     0    0.048   0.167    16.764    0.000    0.000
LGA    Q   128_A      Q   128_A    17.085     0    0.031   1.269    23.501    0.000    0.000
LGA    Y   129_A      Y   129_A    17.769     0    0.039   1.389    20.323    0.000    0.000
LGA    P   130_A      P   130_A    24.763     0    0.036   0.068    26.643    0.000    0.000
LGA    T   131_A      T   131_A    23.927     0    0.065   0.171    24.445    0.000    0.000
LGA    L   132_A      L   132_A    19.662     0    0.044   0.165    22.377    0.000    0.000
LGA    S   133_A      S   133_A    23.505     0    0.075   0.653    27.280    0.000    0.000
LGA    K   134_A      K   134_A    30.154     4    0.097   0.096    32.342    0.000    0.000
LGA    L   135_A      L   135_A    28.955     0    0.025   1.359    30.729    0.000    0.000
LGA    L   136_A      L   136_A    27.073     0    0.031   1.259    30.674    0.000    0.000
LGA    E   137_A      E   137_A    32.608     4    0.065   0.066    36.349    0.000    0.000
LGA    L   138_A      L   138_A    37.258     3    0.020   0.020    39.725    0.000    0.000
LGA    Y   139_A      Y   139_A    35.820     0    0.048   1.334    38.525    0.000    0.000
LGA    N   140_A      N   140_A    35.773     0    0.029   0.113    39.642    0.000    0.000
LGA    S   141_A      S   141_A    41.933     0    0.254   0.755    46.283    0.000    0.000
LGA    Q   142_A      Q   142_A    45.377     4    0.173   0.169    46.867    0.000    0.000
LGA    N   143_A      N   143_A    43.482     3    0.291   0.284    43.692    0.000    0.000
LGA    H   147_A      H   147_A    32.764     0    0.344   0.730    34.805    0.000    0.000
LGA    L   148_A      L   148_A    28.490     0    0.437   1.318    31.957    0.000    0.000
LGA    S   149_A      S   149_A    21.939     0    0.065   0.582    24.214    0.000    0.000
LGA    I   150_A      I   150_A    18.114     0    0.036   1.030    19.741    0.000    0.000
LGA    E   151_A      E   151_A    13.056     0    0.047   0.740    14.851    0.000    0.000
LGA    K   152_A      K   152_A    18.327     0    0.052   0.414    24.805    0.000    0.000
LGA    L   153_A      L   153_A    22.877     0    0.039   1.405    27.779    0.000    0.000
LGA    I   154_A      I   154_A    18.690     0    0.075   1.144    20.084    0.000    0.000
LGA    A   155_A      A   155_A    17.774     0    0.040   0.047    21.313    0.000    0.000
LGA    G   156_A      G   156_A    24.547     0    0.067   0.067    27.460    0.000    0.000
LGA    L   157_A      L   157_A    27.177     0    0.100   1.125    28.981    0.000    0.000
LGA    A   158_A      A   158_A    24.749     0    0.179   0.186    27.814    0.000    0.000
LGA    V   159_A      V   159_A    28.306     0    0.332   1.276    31.763    0.000    0.000
LGA    R   160_A      R   160_A    34.225     0    0.548   1.086    36.318    0.000    0.000
LGA    R   161_A      R   161_A    36.579     0    0.079   1.097    40.736    0.000    0.000
LGA    K   162_A      K   162_A    38.005     0    0.059   1.397    40.128    0.000    0.000
LGA    V   163_A      V   163_A    38.538     0    0.016   0.163    40.329    0.000    0.000
LGA    C   164_A      C   164_A    39.696     0    0.018   0.024    42.184    0.000    0.000
LGA    K   165_A      K   165_A    42.380     0    0.066   1.215    44.417    0.000    0.000
LGA    L   166_A      L   166_A    43.828     0    0.201   0.314    46.175    0.000    0.000
LGA    V   167_A      V   167_A    44.411     0    0.319   1.276    46.576    0.000    0.000
LGA    Q   168_A      Q   168_A    46.115     0    0.471   1.068    47.086    0.000    0.000
LGA    D   169_A      D   169_A    50.375     0    0.697   1.136    54.902    0.000    0.000
LGA    G   170_A      G   170_A    49.627     0    0.061   0.061    49.627    0.000    0.000
LGA    H   171_A      H   171_A    46.936     0    0.500   0.906    49.363    0.000    0.000
LGA    I   172_A      I   172_A    44.703     0    0.222   1.079    47.502    0.000    0.000
LGA    D   173_A      D   173_A    47.949     0    0.039   0.322    48.941    0.000    0.000
LGA    E   174_A      E   174_A    47.845     4    0.015   0.022    49.688    0.000    0.000
LGA    T   175_A      T   175_A    43.301     0    0.037   0.202    45.168    0.000    0.000
LGA    V   176_A      V   176_A    39.873     0    0.053   0.204    41.463    0.000    0.000
LGA    Y   177_A      Y   177_A    41.820     7    0.037   0.047    44.080    0.000    0.000
LGA    R   178_A      R   178_A    41.057     0    0.027   1.400    46.515    0.000    0.000
LGA    A   179_A      A   179_A    35.245     0    0.054   0.064    37.521    0.000    0.000
LGA    L   180_A      L   180_A    34.396     0    0.034   0.146    36.686    0.000    0.000
LGA    D   181_A      D   181_A    37.236     0    0.023   0.092    43.182    0.000    0.000
LGA    E   182_A      E   182_A    33.309     0    0.037   0.242    36.336    0.000    0.000
LGA    M   183_A      M   183_A    28.428     0    0.064   0.082    30.419    0.000    0.000
LGA    A   184_A      A   184_A    31.384     0    0.017   0.036    33.452    0.000    0.000
LGA    A   185_A      A   185_A    33.143     0    0.630   0.591    34.244    0.000    0.000
LGA    G   186_A      G   186_A    30.221     0    0.667   0.667    31.677    0.000    0.000
LGA    A   187_A      A   187_A    26.994     0    0.626   0.596    27.777    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      126     504    504  100.00     936    936  100.00               126
SUMMARY(RMSD_GDC):    17.666         17.577                 17.646           27.859   25.114

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  187  126    4.0     42    1.57    31.746    29.433     2.515

LGA_LOCAL      RMSD:   1.570  Number of atoms:   42  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  24.382  Number of assigned atoms:  126 
Std_ASGN_ATOMS RMSD:  17.666  Standard rmsd on all 126 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.528046 * X  +  -0.584065 * Y  +  -0.616470 * Z  + -15.295893
  Y_new =  -0.077536 * X  +  -0.756055 * Y  +   0.649899 * Z  +  58.362774
  Z_new =  -0.845669 * X  +  -0.295379 * Y  +  -0.444518 * Z  +  34.740009 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.145793  1.007817 -2.555097   [DEG:   -8.3533   57.7436 -146.3963 ]
ZXZ: -2.382586  2.031432 -1.906833   [DEG: -136.5121  116.3925 -109.2535 ]
 
# END of job
