
#######################################################
#                                                     #
#                        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:    46      75_A - 120_A       4.93    22.58
  LONGEST_CONTINUOUS_SEGMENT:    46      76_A - 121_A       4.86    22.03
  LCS_AVERAGE:     30.91

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    33      83_A - 115_A       1.81    21.92
  LCS_AVERAGE:     14.71

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    15      83_A - 97_A        0.93    23.11
  LCS_AVERAGE:      6.45

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    5   27      1    3    3    5   16   19   23   25   27   30   32   33   34   35   37   39   40   43   44   46 
LCS_GDT     R    60_A     R    60_A      3    5   27      1    3    5    9   13   18   21   25   27   30   32   33   34   35   37   39   40   43   44   46 
LCS_GDT     V    61_A     V    61_A      3    6   27      3    3   12   18   20   21   24   27   29   30   32   33   34   35   37   39   40   43   44   46 
LCS_GDT     K    62_A     K    62_A      4    6   27      3    6   13   18   19   21   24   27   29   30   32   33   34   35   37   39   40   43   44   46 
LCS_GDT     L    63_A     L    63_A      4    6   27      3    3    6   10   13   20   24   27   29   30   32   33   34   35   37   39   40   43   44   46 
LCS_GDT     R    64_A     R    64_A      4    6   27      3    3    4   17   20   21   24   27   29   30   32   33   34   35   37   39   40   43   44   46 
LCS_GDT     K    65_A     K    65_A      4    6   27      3    3    7    8   12   20   24   27   29   30   32   33   34   35   37   39   40   43   44   46 
LCS_GDT     H    66_A     H    66_A      3    8   27      3    3    4    5   12   18   24   26   29   30   32   33   34   35   37   39   40   43   44   46 
LCS_GDT     L    67_A     L    67_A      3    8   27      3    3   13   18   20   21   24   27   29   30   32   33   34   39   41   43   45   46   48   49 
LCS_GDT     V    68_A     V    68_A      5    8   27      0    8   13   18   20   21   24   27   29   30   32   33   34   35   37   43   45   46   48   49 
LCS_GDT     E    69_A     E    69_A      5    8   27      4    5    6    9   12   18   21   24   27   29   31   33   34   36   42   43   45   46   48   49 
LCS_GDT     I    70_A     I    70_A      5   10   27      4    5    5    7   16   19   21   25   27   30   32   33   34   35   37   39   44   46   48   49 
LCS_GDT     N    71_A     N    71_A      5   10   27      4    5    6    9   13   18   21   24   27   28   30   32   34   35   36   39   40   44   47   49 
LCS_GDT     A    72_A     A    72_A      5   10   27      4    5    5    8   12   18   21   24   27   28   30   32   34   35   36   39   40   43   44   46 
LCS_GDT     D    73_A     D    73_A      5   10   27      3    4    5    9   13   17   21   24   27   28   30   32   34   35   36   39   40   43   44   46 
LCS_GDT     E    74_A     E    74_A      6   10   27      3    5    6    9   13   18   21   24   27   28   30   32   34   35   36   39   40   43   44   48 
LCS_GDT     I    75_A     I    75_A      6   10   46      4    5    6    7   13   18   21   24   27   28   30   32   34   35   36   39   40   43   44   48 
LCS_GDT     T    76_A     T    76_A      6   10   46      4    5    6    9   13   18   21   24   27   28   30   32   34   38   42   43   44   46   48   49 
LCS_GDT     I    77_A     I    77_A      6   10   46      4    5    6    8   13   17   21   24   27   28   30   32   34   40   42   43   45   46   48   49 
LCS_GDT     T    78_A     T    78_A      6   10   46      4    5    6    9   13   18   21   24   27   30   37   39   39   41   42   43   45   46   48   49 
LCS_GDT     L    79_A     L    79_A      6   10   46      3    5    6    9   13   18   21   24   27   28   37   39   39   41   42   43   45   46   48   50 
LCS_GDT     S    80_A     S    80_A      3    7   46      3    3    4    7   11   18   21   23   27   28   33   37   39   41   42   43   45   46   48   49 
LCS_GDT     R    81_A     R    81_A      4    7   46      3    3    5    7   11   18   21   23   26   28   30   32   36   41   42   43   45   47   52   58 
LCS_GDT     Y    82_A     Y    82_A      4   18   46      3    4    6    9   14   20   29   36   37   37   38   39   39   41   43   47   49   54   57   58 
LCS_GDT     T    83_A     T    83_A     15   33   46      8   12   18   26   30   32   34   36   37   37   38   39   39   41   43   47   49   54   57   58 
LCS_GDT     S    84_A     S    84_A     15   33   46      8   12   18   26   30   32   34   36   37   37   38   39   39   41   43   47   49   54   57   58 
LCS_GDT     P    85_A     P    85_A     15   33   46      3    6   17   26   30   32   34   36   37   37   38   39   39   41   43   47   49   54   57   58 
LCS_GDT     E    86_A     E    86_A     15   33   46      5   12   18   26   30   32   34   36   37   37   38   39   39   41   43   47   49   54   57   58 
LCS_GDT     A    87_A     A    87_A     15   33   46      8   12   18   26   30   32   34   36   37   37   38   39   39   41   43   47   49   54   57   58 
LCS_GDT     L    88_A     L    88_A     15   33   46      8   12   18   26   30   32   34   36   37   37   38   39   39   41   43   47   49   54   57   58 
LCS_GDT     E    89_A     E    89_A     15   33   46      8   12   18   26   30   32   34   36   37   37   38   39   39   41   43   47   49   54   57   58 
LCS_GDT     R    90_A     R    90_A     15   33   46      8   12   15   26   30   32   34   36   37   37   38   39   39   41   43   47   49   54   57   58 
LCS_GDT     S    91_A     S    91_A     15   33   46      8   12   18   26   30   32   34   36   37   37   38   39   39   41   43   47   49   54   57   58 
LCS_GDT     I    92_A     I    92_A     15   33   46      6   12   18   26   30   32   34   36   37   37   38   39   39   41   43   47   49   54   57   58 
LCS_GDT     T    93_A     T    93_A     15   33   46      8   12   14   24   30   32   34   36   37   37   38   39   39   41   43   47   49   54   57   58 
LCS_GDT     A    94_A     A    94_A     15   33   46      6   12   18   26   30   32   34   36   37   37   38   39   39   41   42   47   49   54   57   58 
LCS_GDT     L    95_A     L    95_A     15   33   46      4   12   18   26   30   32   34   36   37   37   38   39   39   41   42   43   49   54   57   58 
LCS_GDT     A    96_A     A    96_A     15   33   46      3   12   14   18   29   32   34   35   37   37   38   39   39   41   42   43   46   54   57   58 
LCS_GDT     A    97_A     A    97_A     15   33   46      3   12   14   25   30   32   34   36   37   37   38   39   39   41   42   43   49   54   57   58 
LCS_GDT     M    98_A     M    98_A     13   33   46      3   10   18   26   30   32   34   36   37   37   38   39   39   41   42   43   45   46   48   58 
LCS_GDT     T    99_A     T    99_A      6   33   46      3    7   17   26   30   32   34   36   37   37   38   39   39   41   42   43   45   46   48   53 
LCS_GDT     G   100_A     G   100_A      5   33   46      3    9   17   26   30   32   34   36   37   37   38   39   39   41   42   43   45   46   55   58 
LCS_GDT     H   101_A     H   101_A      5   33   46      3    6   11   20   28   32   34   36   37   37   38   39   39   41   42   43   49   54   57   58 
LCS_GDT     A   102_A     A   102_A      5   33   46      3    6    8   10   19   30   33   36   37   37   38   39   39   41   42   43   49   54   57   58 
LCS_GDT     P   103_A     P   103_A     11   33   46      3    4   13   23   30   32   34   36   37   37   38   39   39   41   42   47   49   54   57   58 
LCS_GDT     S   104_A     S   104_A     11   33   46      3   12   18   26   30   32   34   36   37   37   38   39   39   41   42   47   49   54   57   58 
LCS_GDT     S   105_A     S   105_A     11   33   46      4   11   18   26   30   32   34   36   37   37   38   39   39   41   42   43   46   53   57   58 
LCS_GDT     I   106_A     I   106_A     11   33   46      7   12   18   26   30   32   34   36   37   37   38   39   39   41   42   47   49   54   57   58 
LCS_GDT     K   107_A     K   107_A     11   33   46      7   12   18   26   30   32   34   36   37   37   38   39   39   41   43   47   49   54   57   58 
LCS_GDT     E   108_A     E   108_A     11   33   46      7   12   18   26   30   32   34   36   37   37   38   39   39   41   42   47   49   54   57   58 
LCS_GDT     E   109_A     E   109_A     11   33   46      7   12   18   26   30   32   34   36   37   37   38   39   39   41   42   47   49   54   57   58 
LCS_GDT     C   110_A     C   110_A     11   33   46      3   12   18   26   30   32   34   36   37   37   38   39   39   41   43   47   49   54   57   58 
LCS_GDT     V   111_A     V   111_A     11   33   46      4   12   18   26   30   32   34   36   37   37   38   39   39   41   43   47   49   54   57   58 
LCS_GDT     E   112_A     E   112_A     11   33   46      4   12   18   26   30   32   34   36   37   37   38   39   39   41   43   47   49   54   57   58 
LCS_GDT     L   113_A     L   113_A     11   33   46      3    6   16   23   30   32   34   36   37   37   38   39   39   41   43   47   49   54   57   58 
LCS_GDT     I   114_A     I   114_A      4   33   46      3    6   18   26   30   32   34   36   37   37   38   39   39   41   43   47   49   54   57   58 
LCS_GDT     D   115_A     D   115_A      4   33   46      7   12   18   26   30   32   34   36   37   37   38   39   39   41   43   47   49   54   57   58 
LCS_GDT     K   116_A     K   116_A      4   16   46      3    3    4    9   11   14   16   30   34   36   38   38   38   40   43   47   49   54   57   58 
LCS_GDT     L   117_A     L   117_A      4   16   46      3    5    8   14   26   31   34   36   37   37   38   39   39   41   43   47   49   54   57   58 
LCS_GDT     D   118_A     D   118_A      4   16   46      4    5   16   21   30   32   34   36   37   37   38   39   39   41   43   47   49   54   57   58 
LCS_GDT     W   119_A     W   119_A      4    7   46      4    4    6   10   11   20   30   36   37   37   38   39   39   41   43   47   49   54   57   58 
LCS_GDT     L   120_A     L   120_A      3    7   46      3    4    4    6   19   20   24   27   29   30   32   33   34   39   43   47   49   54   57   58 
LCS_GDT     R   121_A     R   121_A      3    7   46      3   11   14   17   20   22   24   27   29   30   32   33   34   35   37   42   45   50   53   58 
LCS_GDT     V   122_A     V   122_A      3    7   45      3    4    7   16   17   18   22   23   25   28   29   31   32   33   36   39   41   46   52   58 
LCS_GDT     E   123_A     E   123_A      3    7   36      3    3    4    8   11   15   17   20   25   28   29   31   32   33   36   39   41   46   47   52 
LCS_GDT     N   124_A     N   124_A      3   20   36      3    6   10   12   17   22   22   26   27   28   31   31   32   33   36   39   41   47   52   58 
LCS_GDT     D   125_A     D   125_A      3   20   36      1    6   10   12   17   22   22   26   29   30   31   31   32   35   38   43   46   50   55   58 
LCS_GDT     V   126_A     V   126_A      7   20   36      2    3   11   17   20   22   24   27   29   30   32   33   34   37   43   47   49   54   57   58 
LCS_GDT     I   127_A     I   127_A     13   20   36      3   11   14   18   20   22   24   27   29   30   32   33   34   39   43   47   49   54   57   58 
LCS_GDT     Q   128_A     Q   128_A     13   20   36      3    9   14   18   20   22   24   27   29   30   32   33   34   35   38   47   49   54   57   58 
LCS_GDT     Y   129_A     Y   129_A     13   20   36      3   11   14   18   20   22   24   27   29   30   32   33   34   35   37   40   45   54   57   58 
LCS_GDT     P   130_A     P   130_A     13   20   36      4   11   14   18   20   22   24   27   29   30   32   33   34   35   37   39   40   43   44   46 
LCS_GDT     T   131_A     T   131_A     13   20   36      4   11   14   18   20   22   24   27   29   30   32   33   34   35   37   39   40   43   44   46 
LCS_GDT     L   132_A     L   132_A     13   20   36      4   11   14   18   20   22   24   27   29   30   32   33   34   35   37   39   44   50   53   58 
LCS_GDT     S   133_A     S   133_A     13   20   36      4   10   14   18   20   22   24   27   29   30   32   33   34   35   37   39   41   43   48   56 
LCS_GDT     K   134_A     K   134_A     13   20   36      4    9   14   18   20   22   24   27   29   30   32   33   34   35   37   39   40   43   44   46 
LCS_GDT     L   135_A     L   135_A     13   20   36      4   11   14   18   20   22   24   27   29   30   32   33   34   35   37   39   40   43   44   46 
LCS_GDT     L   136_A     L   136_A     13   20   36      4   11   14   18   20   22   24   27   29   30   32   33   34   35   37   39   41   43   47   51 
LCS_GDT     E   137_A     E   137_A     13   20   36      4   11   14   18   20   22   24   27   29   30   32   33   34   35   37   39   40   43   44   46 
LCS_GDT     L   138_A     L   138_A     13   20   36      4   11   14   18   20   22   24   27   29   30   32   33   34   35   37   39   40   43   44   46 
LCS_GDT     Y   139_A     Y   139_A     13   20   36      4   11   14   18   20   22   24   27   29   30   32   33   34   35   37   39   40   43   44   46 
LCS_GDT     N   140_A     N   140_A     12   20   36      4    7   12   18   20   22   24   27   29   30   32   33   34   35   37   39   41   43   45   48 
LCS_GDT     S   141_A     S   141_A      9   20   36      4    7   10   15   17   22   24   27   29   30   32   33   34   35   37   38   40   43   44   46 
LCS_GDT     Q   142_A     Q   142_A      7   20   36      2    6    9   12   16   22   23   26   29   30   32   33   34   35   36   38   40   43   44   46 
LCS_GDT     N   143_A     N   143_A      7   20   36      2    6    9   15   17   22   24   27   29   30   32   33   34   35   37   38   40   43   44   46 
LCS_GDT     H   147_A     H   147_A      6   20   36      3    7   10   13   17   22   24   27   28   30   32   33   34   35   37   39   41   43   47   51 
LCS_GDT     L   148_A     L   148_A      3   16   36      3    3    6   10   14   16   18   23   25   28   29   31   32   35   36   39   40   46   50   56 
LCS_GDT     S   149_A     S   149_A      3   14   36      3    3    7    9   12   15   17   20   21   25   27   28   32   33   34   37   40   46   50   56 
LCS_GDT     I   150_A     I   150_A      3    9   36      3    3    4    5    7    9   11   16   17   19   21   26   27   29   30   33   35   39   40   45 
LCS_GDT     E   151_A     E   151_A      3    6   37      3    5    9   11   14   15   18   20   23   26   29   31   33   33   34   35   36   39   40   44 
LCS_GDT     K   152_A     K   152_A      3    6   37      3    3    4    6    9   16   18   20   25   28   29   31   33   33   34   36   45   47   52   58 
LCS_GDT     L   153_A     L   153_A      3    4   37      3    5    9   12   14   16   18   22   25   28   29   32   34   35   36   39   40   46   52   56 
LCS_GDT     I   154_A     I   154_A      3    4   37      3    5    9   11   14   16   18   19   23   26   29   31   33   33   36   39   40   42   44   46 
LCS_GDT     A   155_A     A   155_A      3    6   37      3    3    4    6    8   16   20   23   24   27   30   31   33   33   34   39   40   43   44   49 
LCS_GDT     G   156_A     G   156_A      3    6   37      0    3    6    7   13   17   20   23   26   28   30   32   34   35   36   39   40   43   52   55 
LCS_GDT     L   157_A     L   157_A      4    6   37      3    5    6    7   10   15   18   23   25   28   30   31   34   35   36   39   40   43   44   53 
LCS_GDT     A   158_A     A   158_A      4    6   37      3    5    6   11   14   17   20   23   24   27   30   31   33   33   34   36   40   43   44   46 
LCS_GDT     V   159_A     V   159_A      4   12   37      3    5    6    7   10   13   18   20   24   27   30   31   33   33   34   35   38   41   44   46 
LCS_GDT     R   160_A     R   160_A     10   12   37      4    9   10   11   14   17   20   23   24   27   30   31   33   33   34   36   39   41   44   48 
LCS_GDT     R   161_A     R   161_A     10   12   37      4    9   10   11   11   12   16   19   21   24   27   28   31   32   33   36   39   41   44   48 
LCS_GDT     K   162_A     K   162_A     10   12   37      4    9   10   11   11   11   12   13   17   21   24   28   28   32   32   35   37   39   44   48 
LCS_GDT     V   163_A     V   163_A     10   12   37      4    9   10   11   11   11   12   15   22   27   30   31   33   33   34   36   39   41   47   50 
LCS_GDT     C   164_A     C   164_A     10   12   37      4    9   10   11   14   18   20   23   24   27   30   31   33   33   36   39   41   47   52   58 
LCS_GDT     K   165_A     K   165_A     10   12   37      3    9   10   11   11   11   14   19   21   24   30   31   33   33   36   39   41   46   50   55 
LCS_GDT     L   166_A     L   166_A     10   12   37      3    9   10   11   11   11   20   23   24   27   30   31   33   33   36   39   41   47   52   58 
LCS_GDT     V   167_A     V   167_A     10   12   37      3    9   10   15   17   18   19   20   23   27   30   31   33   35   38   43   46   50   55   58 
LCS_GDT     Q   168_A     Q   168_A     10   12   37      3    9   10   11   11   11   12   14   20   27   30   30   33   34   38   43   46   50   53   58 
LCS_GDT     D   169_A     D   169_A     10   12   37      3    5   10   11   14   18   20   23   24   27   30   31   33   35   38   43   45   50   53   58 
LCS_GDT     G   170_A     G   170_A      5   18   37      3    6    8   16   17   18   19   20   25   27   30   32   33   39   43   44   49   53   57   58 
LCS_GDT     H   171_A     H   171_A      4   18   37      3    7    9   16   17   18   20   23   25   27   30   32   33   39   43   44   49   53   57   58 
LCS_GDT     I   172_A     I   172_A      5   18   37      3    5   11   14   17   18   19   20   25   27   30   32   33   39   43   47   49   54   57   58 
LCS_GDT     D   173_A     D   173_A      5   18   37      3    5   12   14   17   18   20   23   24   27   30   32   33   39   43   47   49   54   57   58 
LCS_GDT     E   174_A     E   174_A      5   18   37      3    5   12   16   17   18   20   23   24   27   30   32   33   39   43   47   49   54   57   58 
LCS_GDT     T   175_A     T   175_A      5   18   37      3    5   12   16   17   18   19   22   24   27   30   32   33   37   43   47   49   54   57   58 
LCS_GDT     V   176_A     V   176_A      5   18   37      3    5   11   16   17   18   20   23   25   27   30   32   33   39   43   47   49   54   57   58 
LCS_GDT     Y   177_A     Y   177_A      4   18   37      3    4    4    6    9   16   20   23   24   27   30   32   33   34   38   42   46   50   55   58 
LCS_GDT     R   178_A     R   178_A     10   18   37      3    8   12   16   17   18   20   23   25   27   30   32   33   39   43   47   49   54   57   58 
LCS_GDT     A   179_A     A   179_A     10   18   37      3    8   12   16   17   18   20   23   25   27   30   32   33   39   43   44   49   54   57   58 
LCS_GDT     L   180_A     L   180_A     10   18   37      6    8   12   16   17   18   20   23   26   27   30   32   33   39   43   47   49   54   57   58 
LCS_GDT     D   181_A     D   181_A     10   18   37      6    8   12   16   17   18   20   23   26   27   30   32   33   39   43   47   49   54   57   58 
LCS_GDT     E   182_A     E   182_A     10   18   37      6    8   12   16   17   18   20   23   25   27   30   32   33   39   43   47   49   54   57   58 
LCS_GDT     M   183_A     M   183_A     10   18   37      6    8   12   16   17   18   20   23   25   27   30   32   33   39   43   47   49   54   57   58 
LCS_GDT     A   184_A     A   184_A     10   18   37      6    8   12   16   17   18   20   23   25   27   30   32   33   39   43   47   49   54   57   58 
LCS_GDT     A   185_A     A   185_A     10   18   37      6    8   12   16   17   18   20   23   25   27   30   32   33   39   43   47   49   54   57   58 
LCS_GDT     G   186_A     G   186_A     10   18   37      4    4   12   16   17   18   20   23   25   27   30   32   33   39   43   47   49   54   57   58 
LCS_GDT     A   187_A     A   187_A     10   18   37      0    3   12   16   17   18   20   23   25   27   30   32   33   39   43   47   49   54   57   58 
LCS_AVERAGE  LCS_A:  17.36  (   6.45   14.71   30.91 )

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      8     12     18     26     30     32     34     36     37     37     38     39     39     41     43     47     49     54     57     58 
GDT PERCENT_AT   6.35   9.52  14.29  20.63  23.81  25.40  26.98  28.57  29.37  29.37  30.16  30.95  30.95  32.54  34.13  37.30  38.89  42.86  45.24  46.03
GDT RMS_LOCAL    0.27   0.52   0.93   1.36   1.51   1.62   1.85   2.33   2.36   2.36   2.54   3.11   3.11   3.73   5.47   6.19   6.16   6.74   6.89   6.94
GDT RMS_ALL_AT  22.66  23.08  22.24  22.02  22.04  22.13  22.21  21.59  21.66  21.66  21.78  21.83  21.83  21.90  17.05  17.02  16.98  16.98  16.91  16.94

# Checking swapping
#   possible swapping detected:  E    69_A      E    69_A
#   possible swapping detected:  Y    82_A      Y    82_A
#   possible swapping detected:  E    89_A      E    89_A
#   possible swapping detected:  E   112_A      E   112_A
#   possible swapping detected:  D   115_A      D   115_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:  E   151_A      E   151_A
#   possible swapping detected:  D   169_A      D   169_A
#   possible swapping detected:  D   181_A      D   181_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    R    59_A      R    59_A    32.891     6    0.404   0.424    34.561    0.000    0.000
LGA    R    60_A      R    60_A    26.238     6    0.550   0.500    28.855    0.000    0.000
LGA    V    61_A      V    61_A    25.869     0    0.269   1.193    26.072    0.000    0.000
LGA    K    62_A      K    62_A    25.537     0    0.135   0.726    27.884    0.000    0.000
LGA    L    63_A      L    63_A    24.172     0    0.267   0.744    26.568    0.000    0.000
LGA    R    64_A      R    64_A    23.810     6    0.650   0.762    24.122    0.000    0.000
LGA    K    65_A      K    65_A    21.947     0    0.445   1.513    28.928    0.000    0.000
LGA    H    66_A      H    66_A    18.278     0    0.214   1.419    23.835    0.000    0.000
LGA    L    67_A      L    67_A    13.835     0    0.608   0.788    15.954    0.000    0.060
LGA    V    68_A      V    68_A    16.436     0    0.247   0.253    18.816    0.000    0.000
LGA    E    69_A      E    69_A    17.023     0    0.225   0.916    19.300    0.000    0.000
LGA    I    70_A      I    70_A    17.718     0    0.185   1.351    18.937    0.000    0.000
LGA    N    71_A      N    71_A    20.037     0    0.227   0.565    21.497    0.000    0.000
LGA    A    72_A      A    72_A    22.684     0    0.448   0.414    23.522    0.000    0.000
LGA    D    73_A      D    73_A    23.688     0    0.176   1.088    28.460    0.000    0.000
LGA    E    74_A      E    74_A    18.636     0    0.093   1.033    24.191    0.000    0.000
LGA    I    75_A      I    75_A    15.242     0    0.149   0.299    17.282    0.000    0.000
LGA    T    76_A      T    76_A    13.456     0    0.061   0.369    15.976    0.000    0.000
LGA    I    77_A      I    77_A    10.963     0    0.096   1.617    13.425    0.000    0.357
LGA    T    78_A      T    78_A     9.925     0    0.147   0.629    11.530    0.357    0.204
LGA    L    79_A      L    79_A     9.628     0    0.234   1.239    10.208    0.238    6.488
LGA    S    80_A      S    80_A    11.377     0    0.402   0.612    12.558    0.000    0.000
LGA    R    81_A      R    81_A    11.471     0    0.533   1.162    21.733    0.476    0.173
LGA    Y    82_A      Y    82_A     5.838     0    0.486   1.278    14.456   29.643   11.071
LGA    T    83_A      T    83_A     0.756     0    0.624   0.557     5.640   88.452   65.102
LGA    S    84_A      S    84_A     0.336     0    0.144   0.652     4.671   80.714   69.841
LGA    P    85_A      P    85_A     1.507     0    0.205   0.215     3.478   77.262   67.687
LGA    E    86_A      E    86_A     1.585     0    0.182   1.133     5.868   79.405   60.317
LGA    A    87_A      A    87_A     1.106     0    0.095   0.095     1.266   81.429   81.429
LGA    L    88_A      L    88_A     1.407     0    0.012   1.442     4.324   77.143   64.286
LGA    E    89_A      E    89_A     2.147     0    0.041   1.057     3.646   66.786   65.979
LGA    R    90_A      R    90_A     2.334     0    0.041   1.257     7.597   64.762   47.835
LGA    S    91_A      S    91_A     2.105     0    0.049   0.310     2.892   64.762   63.492
LGA    I    92_A      I    92_A     2.328     0    0.130   1.595     4.043   60.952   60.536
LGA    T    93_A      T    93_A     2.755     0    0.126   0.994     3.814   62.976   57.483
LGA    A    94_A      A    94_A     1.938     0    0.104   0.167     2.439   75.119   73.048
LGA    L    95_A      L    95_A     2.125     0    0.078   1.275     4.800   62.976   56.845
LGA    A    96_A      A    96_A     3.463     0    0.071   0.101     3.896   50.000   48.667
LGA    A    97_A      A    97_A     2.501     0    0.080   0.117     3.029   65.000   62.000
LGA    M    98_A      M    98_A     2.097     0    0.131   0.858     4.223   64.881   61.548
LGA    T    99_A      T    99_A     2.045     0    0.127   1.112     4.054   66.786   61.973
LGA    G   100_A      G   100_A     2.341     0    0.194   0.194     2.538   62.857   62.857
LGA    H   101_A      H   101_A     3.261     5    0.102   0.153     3.364   53.571   27.143
LGA    A   102_A      A   102_A     4.213     0    0.166   0.173     5.846   43.690   39.238
LGA    P   103_A      P   103_A     2.120     0    0.352   0.613     4.264   64.286   57.279
LGA    S   104_A      S   104_A     0.621     0    0.102   0.569     2.325   83.810   81.746
LGA    S   105_A      S   105_A     1.223     0    0.144   0.632     2.271   83.690   80.159
LGA    I   106_A      I   106_A     0.755     0    0.137   0.506     2.403   90.476   82.798
LGA    K   107_A      K   107_A     0.620     0    0.095   1.371     5.743   90.476   76.349
LGA    E   108_A      E   108_A     0.707     3    0.077   0.678     1.961   90.476   58.360
LGA    E   109_A      E   109_A     0.377     0    0.087   0.918     3.473   95.238   83.280
LGA    C   110_A      C   110_A     1.081     0    0.171   0.201     1.406   83.690   84.444
LGA    V   111_A      V   111_A     1.199     0    0.144   0.241     2.133   85.952   81.633
LGA    E   112_A      E   112_A     0.775     0    0.088   1.144     4.192   88.214   73.333
LGA    L   113_A      L   113_A     1.773     0    0.127   1.363     7.877   79.405   55.417
LGA    I   114_A      I   114_A     2.119     0    0.354   1.184     4.784   65.833   57.440
LGA    D   115_A      D   115_A     0.420     0    0.180   1.431     4.798   68.929   57.321
LGA    K   116_A      K   116_A     6.599     2    0.194   0.861    12.194   17.143    7.937
LGA    L   117_A      L   117_A     4.333     0    0.267   1.016     7.722   32.976   28.750
LGA    D   118_A      D   118_A     2.174     0    0.214   1.119     3.622   55.476   53.690
LGA    W   119_A      W   119_A     5.049     0    0.233   1.164    14.802   22.500    7.381
LGA    L   120_A      L   120_A     9.734     0    0.227   1.372    13.222    2.619    1.310
LGA    R   121_A      R   121_A    13.660     0    0.132   1.858    18.496    0.000    0.000
LGA    V   122_A      V   122_A    18.969     0    0.278   0.657    21.838    0.000    0.000
LGA    E   123_A      E   123_A    22.678     4    0.130   0.143    24.762    0.000    0.000
LGA    N   124_A      N   124_A    20.829     0    0.390   0.585    25.951    0.000    0.000
LGA    D   125_A      D   125_A    18.828     0    0.291   1.156    22.165    0.000    0.000
LGA    V   126_A      V   126_A    15.671     0    0.286   0.970    17.453    0.000    0.000
LGA    I   127_A      I   127_A    15.317     0    0.259   0.573    17.811    0.000    0.000
LGA    Q   128_A      Q   128_A    18.153     0    0.111   1.083    20.173    0.000    0.000
LGA    Y   129_A      Y   129_A    20.320     0    0.145   1.435    22.826    0.000    0.000
LGA    P   130_A      P   130_A    26.329     0    0.103   0.108    27.549    0.000    0.000
LGA    T   131_A      T   131_A    23.832     0    0.092   0.525    24.906    0.000    0.000
LGA    L   132_A      L   132_A    21.256     0    0.153   1.277    23.953    0.000    0.000
LGA    S   133_A      S   133_A    25.361     0    0.040   0.652    29.116    0.000    0.000
LGA    K   134_A      K   134_A    31.105     4    0.083   0.081    33.072    0.000    0.000
LGA    L   135_A      L   135_A    29.171     0    0.052   0.423    31.515    0.000    0.000
LGA    L   136_A      L   136_A    29.334     0    0.124   0.627    33.096    0.000    0.000
LGA    E   137_A      E   137_A    35.024     4    0.083   0.083    38.530    0.000    0.000
LGA    L   138_A      L   138_A    37.902     3    0.090   0.102    40.171    0.000    0.000
LGA    Y   139_A      Y   139_A    36.692     0    0.094   1.030    39.800    0.000    0.000
LGA    N   140_A      N   140_A    38.631     0    0.056   1.025    42.520    0.000    0.000
LGA    S   141_A      S   141_A    43.673     0    0.311   0.618    47.531    0.000    0.000
LGA    Q   142_A      Q   142_A    45.156     4    0.154   0.152    45.291    0.000    0.000
LGA    N   143_A      N   143_A    44.664     3    0.083   0.144    45.012    0.000    0.000
LGA    H   147_A      H   147_A    36.286     0    0.277   1.402    37.560    0.000    0.000
LGA    L   148_A      L   148_A    34.007     0    0.199   1.010    35.817    0.000    0.000
LGA    S   149_A      S   149_A    30.141     0    0.232   0.661    31.517    0.000    0.000
LGA    I   150_A      I   150_A    30.088     0    0.166   1.242    31.204    0.000    0.000
LGA    E   151_A      E   151_A    26.949     0    0.187   1.238    28.038    0.000    0.000
LGA    K   152_A      K   152_A    26.483     0    0.281   1.442    28.142    0.000    0.000
LGA    L   153_A      L   153_A    26.875     0    0.155   0.420    28.894    0.000    0.000
LGA    I   154_A      I   154_A    26.780     0    0.429   0.581    28.590    0.000    0.000
LGA    A   155_A      A   155_A    25.113     0    0.160   0.152    25.582    0.000    0.000
LGA    G   156_A      G   156_A    24.931     0    0.378   0.378    24.999    0.000    0.000
LGA    L   157_A      L   157_A    24.536     0    0.141   1.207    26.237    0.000    0.000
LGA    A   158_A      A   158_A    23.911     0    0.023   0.055    24.540    0.000    0.000
LGA    V   159_A      V   159_A    24.754     0    0.352   0.674    24.754    0.000    0.000
LGA    R   160_A      R   160_A    24.135     0    0.552   1.320    25.044    0.000    0.000
LGA    R   161_A      R   161_A    28.089     0    0.033   0.718    37.577    0.000    0.000
LGA    K   162_A      K   162_A    31.363     0    0.145   0.668    41.217    0.000    0.000
LGA    V   163_A      V   163_A    26.589     0    0.019   0.204    28.314    0.000    0.000
LGA    C   164_A      C   164_A    24.013     0    0.095   0.691    25.857    0.000    0.000
LGA    K   165_A      K   165_A    30.005     0    0.078   1.152    39.993    0.000    0.000
LGA    L   166_A      L   166_A    28.961     0    0.217   0.972    31.867    0.000    0.000
LGA    V   167_A      V   167_A    23.639     0    0.181   0.189    25.402    0.000    0.000
LGA    Q   168_A      Q   168_A    27.420     0    0.191   1.270    30.730    0.000    0.000
LGA    D   169_A      D   169_A    30.650     0    0.299   1.112    34.327    0.000    0.000
LGA    G   170_A      G   170_A    25.703     0    0.189   0.189    27.167    0.000    0.000
LGA    H   171_A      H   171_A    25.837     0    0.102   0.904    33.533    0.000    0.000
LGA    I   172_A      I   172_A    23.183     0    0.292   1.300    26.153    0.000    0.000
LGA    D   173_A      D   173_A    24.532     0    0.094   0.771    25.024    0.000    0.000
LGA    E   174_A      E   174_A    26.378     4    0.063   0.058    27.293    0.000    0.000
LGA    T   175_A      T   175_A    23.791     0    0.123   1.282    24.653    0.000    0.000
LGA    V   176_A      V   176_A    23.912     0    0.425   0.414    25.905    0.000    0.000
LGA    Y   177_A      Y   177_A    25.371     7    0.532   0.491    26.184    0.000    0.000
LGA    R   178_A      R   178_A    26.611     0    0.155   1.467    27.808    0.000    0.000
LGA    A   179_A      A   179_A    24.869     0    0.196   0.210    25.379    0.000    0.000
LGA    L   180_A      L   180_A    25.350     0    0.080   1.370    27.106    0.000    0.000
LGA    D   181_A      D   181_A    28.718     0    0.018   0.831    32.295    0.000    0.000
LGA    E   182_A      E   182_A    27.071     0    0.101   0.597    28.370    0.000    0.000
LGA    M   183_A      M   183_A    24.679     0    0.096   0.795    25.605    0.000    0.000
LGA    A   184_A      A   184_A    27.642     0    0.014   0.035    29.170    0.000    0.000
LGA    A   185_A      A   185_A    30.003     0    0.213   0.232    30.574    0.000    0.000
LGA    G   186_A      G   186_A    27.132     0    0.696   0.696    28.068    0.000    0.000
LGA    A   187_A      A   187_A    24.822     0    0.644   0.619    26.796    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):    15.513         15.437                 15.646           20.488   17.812

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  187  126    4.0     36    2.33    24.008    22.387     1.482

LGA_LOCAL      RMSD:   2.329  Number of atoms:   36  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  21.593  Number of assigned atoms:  126 
Std_ASGN_ATOMS RMSD:  15.513  Standard rmsd on all 126 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.556890 * X  +   0.590565 * Y  +   0.584043 * Z  + -18.733030
  Y_new =  -0.809594 * X  +   0.228862 * Y  +   0.540536 * Z  +  24.615662
  Z_new =   0.185556 * X  +  -0.773857 * Y  +   0.605569 * Z  +  23.538589 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.968263 -0.186638 -0.906797   [DEG:  -55.4774  -10.6936  -51.9556 ]
ZXZ:  2.317526  0.920316  2.906255   [DEG:  132.7845   52.7302  166.5161 ]
 
# END of job
