
#######################################################
#                                                     #
#                        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       4.96    18.27
  LCS_AVERAGE:     36.96

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    43      76_A - 118_A       1.92    19.48
  LCS_AVERAGE:     20.79

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    33      82_A - 114_A       0.96    19.70
  LONGEST_CONTINUOUS_SEGMENT:    33      83_A - 115_A       0.95    19.80
  LCS_AVERAGE:     13.87

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    4    5    7   11   17   17   22   22   27   28   29   35   36   37   40   42   44 
LCS_GDT     R    60_A     R    60_A      3    4   10      3    3    3    4    5    5    7   12   24   27   28   28   32   36   37   39   40   41   42   44 
LCS_GDT     V    61_A     V    61_A      3    4   10      3   11   15   16   17   20   23   25   26   28   32   33   35   37   37   39   40   41   42   44 
LCS_GDT     K    62_A     K    62_A      3    4   10      7   14   14   16   18   20   23   25   26   27   29   31   35   37   37   39   40   41   42   46 
LCS_GDT     L    63_A     L    63_A      3    3   14      8   12   14   16   18   20   22   24   26   27   29   31   35   37   37   39   40   41   42   44 
LCS_GDT     R    64_A     R    64_A      4    5   14      3    4    4    5    6    6    7    9   25   27   29   31   35   37   37   39   40   41   42   44 
LCS_GDT     K    65_A     K    65_A      4    5   14      3    4    4    5    5    5    7    9   10   14   15   19   30   33   36   39   40   41   42   44 
LCS_GDT     H    66_A     H    66_A      4    5   14      3    4    4    5    5    5    6    8    9   10   28   31   35   37   37   39   40   41   42   44 
LCS_GDT     L    67_A     L    67_A      4    5   14      3    4    4   15   19   24   26   28   29   32   34   34   35   37   37   39   40   41   42   44 
LCS_GDT     V    68_A     V    68_A      3    5   54      1    4    9   13   20   24   26   29   32   32   34   34   34   37   37   39   40   41   45   50 
LCS_GDT     E    69_A     E    69_A      3    3   59      3    3    6   10   14   18   20   22   25   32   34   37   41   46   50   52   57   64   66   71 
LCS_GDT     I    70_A     I    70_A      3    3   59      3    3    3    5   16   19   21   24   27   28   32   42   45   47   50   52   56   59   60   62 
LCS_GDT     N    71_A     N    71_A      3    4   59      3    3    3    5   12   17   23   24   27   35   41   44   47   48   50   52   56   59   60   64 
LCS_GDT     A    72_A     A    72_A      4    5   59      3    4    4    9   10   18   22   34   37   43   47   47   50   51   52   53   56   59   65   70 
LCS_GDT     D    73_A     D    73_A      4    5   59      3    4    4    5    6    7   11   17   23   39   41   45   50   51   51   53   55   55   57   60 
LCS_GDT     E    74_A     E    74_A      4    5   59      3    4    4    5    6    7   11   17   23   30   34   39   46   51   51   53   54   55   56   57 
LCS_GDT     I    75_A     I    75_A      4    5   59      3    4    4    5    6    7   11   17   26   30   41   45   50   51   51   53   56   59   60   62 
LCS_GDT     T    76_A     T    76_A      3   43   59      2    4    4    5    5    5   11   22   38   44   47   48   50   51   52   54   56   60   67   74 
LCS_GDT     I    77_A     I    77_A      3   43   59      1    3    5    9   20   32   39   42   43   45   47   48   50   51   52   54   57   61   67   75 
LCS_GDT     T    78_A     T    78_A      3   43   59      1   12   23   31   35   38   40   42   43   45   47   48   50   51   52   54   56   60   68   75 
LCS_GDT     L    79_A     L    79_A      3   43   59      0    3    7   32   37   39   40   42   43   45   47   48   54   59   64   65   70   72   75   77 
LCS_GDT     S    80_A     S    80_A      3   43   59      0   17   17   20   33   39   40   42   43   45   47   49   54   59   64   65   70   72   75   77 
LCS_GDT     R    81_A     R    81_A     18   43   59      3    7   21   29   34   39   40   42   43   45   47   49   54   59   64   65   70   72   75   77 
LCS_GDT     Y    82_A     Y    82_A     33   43   59      5   17   29   34   37   39   40   42   43   45   47   49   54   59   64   65   70   72   75   77 
LCS_GDT     T    83_A     T    83_A     33   43   59     11   27   30   34   37   39   40   42   43   45   47   49   54   59   64   65   70   72   75   77 
LCS_GDT     S    84_A     S    84_A     33   43   59     13   27   30   34   37   39   40   42   43   45   47   49   54   59   64   65   70   72   75   77 
LCS_GDT     P    85_A     P    85_A     33   43   59     13   27   30   34   37   39   40   42   43   45   47   49   54   59   64   65   70   72   75   77 
LCS_GDT     E    86_A     E    86_A     33   43   59     13   27   30   34   37   39   40   42   43   45   47   49   54   59   64   65   70   72   75   77 
LCS_GDT     A    87_A     A    87_A     33   43   59     13   27   30   34   37   39   40   42   43   45   47   49   54   59   64   65   70   72   75   77 
LCS_GDT     L    88_A     L    88_A     33   43   59     13   27   30   34   37   39   40   42   43   45   47   49   54   59   64   65   70   72   75   77 
LCS_GDT     E    89_A     E    89_A     33   43   59     14   27   30   34   37   39   40   42   43   45   47   49   54   59   64   65   70   72   75   77 
LCS_GDT     R    90_A     R    90_A     33   43   59     11   27   30   34   37   39   40   42   43   45   47   49   54   59   64   65   70   72   75   77 
LCS_GDT     S    91_A     S    91_A     33   43   59     11   27   30   34   37   39   40   42   43   45   47   49   54   59   64   65   70   72   75   77 
LCS_GDT     I    92_A     I    92_A     33   43   59     14   27   30   34   37   39   40   42   43   45   47   49   54   59   64   65   70   72   75   77 
LCS_GDT     T    93_A     T    93_A     33   43   59     11   27   30   34   37   39   40   42   43   45   47   49   54   59   64   65   70   72   75   77 
LCS_GDT     A    94_A     A    94_A     33   43   59     11   27   30   34   37   39   40   42   43   45   47   49   54   59   64   65   70   72   75   77 
LCS_GDT     L    95_A     L    95_A     33   43   59     14   27   30   34   37   39   40   42   43   45   47   49   54   59   64   65   70   72   75   77 
LCS_GDT     A    96_A     A    96_A     33   43   59      9   27   30   34   37   39   40   42   43   45   47   48   50   59   64   65   70   72   75   77 
LCS_GDT     A    97_A     A    97_A     33   43   59      9   27   30   34   37   39   40   42   43   45   47   49   54   59   64   65   70   72   75   77 
LCS_GDT     M    98_A     M    98_A     33   43   59     14   27   30   34   37   39   40   42   43   45   47   48   50   51   52   60   67   71   75   77 
LCS_GDT     T    99_A     T    99_A     33   43   59      9   21   30   34   37   39   40   42   43   45   47   48   50   51   52   54   56   61   67   74 
LCS_GDT     G   100_A     G   100_A     33   43   59      4   16   29   34   37   39   40   42   43   45   47   48   50   51   52   53   55   61   64   70 
LCS_GDT     H   101_A     H   101_A     33   43   59     14   27   30   34   37   39   40   42   43   45   47   48   50   51   52   54   56   62   71   75 
LCS_GDT     A   102_A     A   102_A     33   43   59     14   27   30   34   37   39   40   42   43   45   47   48   50   51   52   54   57   71   75   77 
LCS_GDT     P   103_A     P   103_A     33   43   59     14   27   30   34   37   39   40   42   43   45   47   48   54   59   64   65   70   72   75   77 
LCS_GDT     S   104_A     S   104_A     33   43   59     14   27   30   34   37   39   40   42   43   45   47   48   50   51   52   65   70   72   75   77 
LCS_GDT     S   105_A     S   105_A     33   43   59     14   27   30   34   37   39   40   42   43   45   47   48   50   51   52   58   67   71   75   77 
LCS_GDT     I   106_A     I   106_A     33   43   59     14   27   30   34   37   39   40   42   43   45   47   48   50   59   64   65   70   72   75   77 
LCS_GDT     K   107_A     K   107_A     33   43   59     14   27   30   34   37   39   40   42   43   45   47   49   54   59   64   65   70   72   75   77 
LCS_GDT     E   108_A     E   108_A     33   43   59     14   27   30   34   37   39   40   42   43   45   47   49   54   59   64   65   70   72   75   77 
LCS_GDT     E   109_A     E   109_A     33   43   59     14   27   30   34   37   39   40   42   43   45   47   48   54   59   64   65   70   72   75   77 
LCS_GDT     C   110_A     C   110_A     33   43   59     14   27   30   34   37   39   40   42   43   45   47   49   54   59   64   65   70   72   75   77 
LCS_GDT     V   111_A     V   111_A     33   43   59     10   27   30   34   37   39   40   42   43   45   47   49   54   59   64   65   70   72   75   77 
LCS_GDT     E   112_A     E   112_A     33   43   59     10   25   30   34   37   39   40   42   43   45   47   49   54   59   64   65   70   72   75   77 
LCS_GDT     L   113_A     L   113_A     33   43   59     10   24   30   34   37   39   40   42   43   45   47   49   54   59   64   65   70   72   75   77 
LCS_GDT     I   114_A     I   114_A     33   43   59     10   21   30   34   37   39   40   42   43   45   47   49   54   59   64   65   70   72   75   77 
LCS_GDT     D   115_A     D   115_A     33   43   59     10   21   30   34   37   39   40   42   43   45   47   49   54   59   64   65   70   72   75   77 
LCS_GDT     K   116_A     K   116_A     30   43   59     10   20   30   34   37   39   40   42   43   45   47   49   54   59   64   65   70   72   75   77 
LCS_GDT     L   117_A     L   117_A     27   43   59      4   13   29   34   37   39   40   42   43   45   47   49   54   59   64   65   70   72   75   77 
LCS_GDT     D   118_A     D   118_A     21   43   59      1    3   18   32   35   39   40   42   43   45   47   49   54   59   64   65   70   72   75   77 
LCS_GDT     W   119_A     W   119_A      3   37   59      3    3    3    5    8   12   18   21   35   40   45   48   50   57   64   65   70   72   75   77 
LCS_GDT     L   120_A     L   120_A      3   21   59      3    6    9   12   16   21   26   28   30   37   43   48   53   59   64   65   70   72   75   77 
LCS_GDT     R   121_A     R   121_A      5   24   59      3    8   12   17   20   23   26   34   42   45   47   48   54   59   64   65   70   72   75   77 
LCS_GDT     V   122_A     V   122_A      5   24   59      4    8   12   18   20   23   26   28   30   31   36   46   49   52   59   62   66   68   73   77 
LCS_GDT     E   123_A     E   123_A      7   24   59      3    6   10   17   20   34   37   41   43   45   47   48   52   58   64   65   70   72   75   77 
LCS_GDT     N   124_A     N   124_A      7   24   59      3    7   10   14   28   37   39   41   43   45   47   49   54   59   64   65   70   72   75   77 
LCS_GDT     D   125_A     D   125_A      7   24   59      3    6   16   19   22   26   30   36   40   44   46   49   54   59   64   65   70   72   75   77 
LCS_GDT     V   126_A     V   126_A     10   24   59      4    8   12   19   20   24   29   36   38   42   46   49   54   59   64   65   70   72   75   77 
LCS_GDT     I   127_A     I   127_A     17   24   59      5   11   18   19   20   23   26   28   30   33   39   49   53   59   64   65   70   72   75   77 
LCS_GDT     Q   128_A     Q   128_A     17   24   57     10   16   18   19   20   23   26   28   30   31   32   36   39   44   53   59   61   67   73   77 
LCS_GDT     Y   129_A     Y   129_A     17   24   55     10   16   18   19   20   23   26   28   30   31   32   36   39   44   48   56   61   66   70   75 
LCS_GDT     P   130_A     P   130_A     17   24   43      9   16   18   19   20   23   26   28   30   31   32   35   37   38   40   46   49   51   57   60 
LCS_GDT     T   131_A     T   131_A     17   24   38      5   16   18   19   20   23   26   28   30   31   32   35   37   38   42   47   55   57   63   69 
LCS_GDT     L   132_A     L   132_A     17   24   38     10   16   18   19   20   23   26   28   30   31   32   35   39   42   48   56   61   64   68   71 
LCS_GDT     S   133_A     S   133_A     17   24   38     10   16   18   19   20   23   26   28   30   31   32   35   37   38   42   47   49   53   58   67 
LCS_GDT     K   134_A     K   134_A     17   24   36     10   16   18   19   20   23   26   28   30   31   32   35   37   38   40   43   44   46   49   53 
LCS_GDT     L   135_A     L   135_A     17   24   36     10   16   18   19   20   23   26   28   30   31   32   35   37   38   40   43   44   46   49   53 
LCS_GDT     L   136_A     L   136_A     17   24   36     10   16   18   19   20   23   26   28   30   31   32   35   37   38   40   43   44   46   49   53 
LCS_GDT     E   137_A     E   137_A     17   24   36     10   16   18   19   20   23   26   28   30   31   32   35   37   38   40   43   44   46   49   52 
LCS_GDT     L   138_A     L   138_A     17   24   36     10   16   18   19   20   23   26   28   30   31   32   35   37   38   40   43   44   46   48   50 
LCS_GDT     Y   139_A     Y   139_A     17   24   36      8   16   18   19   20   23   25   28   30   31   32   35   37   38   40   43   44   46   48   50 
LCS_GDT     N   140_A     N   140_A     17   24   36     10   16   18   19   20   23   26   28   30   31   32   35   37   38   40   43   44   46   48   50 
LCS_GDT     S   141_A     S   141_A     17   24   36      8   16   18   19   20   23   26   28   30   31   32   35   37   38   40   43   44   46   48   50 
LCS_GDT     Q   142_A     Q   142_A     17   24   36      6   16   18   19   20   23   25   28   30   31   32   33   37   38   40   43   44   46   47   50 
LCS_GDT     N   143_A     N   143_A     17   24   36      6   16   18   19   20   23   25   28   30   31   32   35   37   38   40   43   44   46   47   50 
LCS_GDT     H   147_A     H   147_A      4   24   36      1    4   12   14   20   23   25   28   30   31   32   35   37   38   40   43   44   46   49   53 
LCS_GDT     L   148_A     L   148_A     13   21   36      5    9   13   13   14   14   16   24   27   28   32   32   34   37   40   45   47   59   62   69 
LCS_GDT     S   149_A     S   149_A     13   15   39      6   12   13   13   14   14   21   25   29   31   32   35   37   38   43   48   58   62   67   71 
LCS_GDT     I   150_A     I   150_A     13   15   39      8   12   13   13   14   14   16   18   21   26   29   35   38   46   52   57   62   66   71   74 
LCS_GDT     E   151_A     E   151_A     13   15   39      7   12   13   13   15   19   22   25   31   36   42   47   51   56   64   65   70   72   75   77 
LCS_GDT     K   152_A     K   152_A     13   15   39      8   12   13   13   14   14   17   25   31   38   43   48   52   57   64   65   70   72   75   77 
LCS_GDT     L   153_A     L   153_A     13   15   39      8   12   13   13   14   14   16   19   22   26   30   39   48   52   57   61   68   72   75   77 
LCS_GDT     I   154_A     I   154_A     13   15   39      7   12   13   13   14   18   20   23   30   39   43   49   53   59   64   65   70   72   75   77 
LCS_GDT     A   155_A     A   155_A     13   15   39      7   13   16   20   23   26   30   36   38   42   46   49   54   59   64   65   70   72   75   77 
LCS_GDT     G   156_A     G   156_A     13   15   39      8   12   13   13   21   23   27   29   36   39   44   49   54   59   64   65   70   72   75   77 
LCS_GDT     L   157_A     L   157_A     13   15   39      8   12   13   13   14   22   27   29   32   32   34   36   38   43   51   59   67   72   75   77 
LCS_GDT     A   158_A     A   158_A     13   15   39      8   12   13   16   21   23   27   29   32   32   34   36   42   48   57   65   70   72   75   77 
LCS_GDT     V   159_A     V   159_A     13   16   39      8   12   13   13   14   14   22   29   32   32   34   36   40   45   50   60   67   72   75   77 
LCS_GDT     R   160_A     R   160_A     14   20   39     12   14   15   16   19   24   26   28   32   32   34   34   35   40   47   47   51   54   57   72 
LCS_GDT     R   161_A     R   161_A     14   20   39     12   14   15   16   19   24   26   28   32   32   34   34   35   37   42   43   49   54   55   61 
LCS_GDT     K   162_A     K   162_A     14   20   39     12   14   15   16   20   24   26   29   32   32   34   34   37   43   47   47   51   61   66   68 
LCS_GDT     V   163_A     V   163_A     14   20   39     12   14   15   16   20   24   27   29   32   32   38   44   46   48   57   62   70   72   75   77 
LCS_GDT     C   164_A     C   164_A     14   20   39     12   14   15   16   20   24   27   29   32   32   34   36   38   43   51   54   57   65   67   72 
LCS_GDT     K   165_A     K   165_A     14   20   39     12   14   15   16   20   24   27   29   32   32   34   36   42   47   51   56   62   65   67   70 
LCS_GDT     L   166_A     L   166_A     14   20   39     12   14   15   16   21   24   27   29   32   35   38   48   52   54   58   65   70   72   75   77 
LCS_GDT     V   167_A     V   167_A     14   20   39     12   14   15   16   21   24   27   29   32   32   38   44   52   54   57   65   70   72   75   77 
LCS_GDT     Q   168_A     Q   168_A     14   20   39     12   14   15   16   20   24   27   29   32   32   34   36   42   47   51   59   62   65   71   73 
LCS_GDT     D   169_A     D   169_A     14   20   39     12   14   15   16   21   24   27   29   32   35   38   44   52   54   57   65   70   72   75   77 
LCS_GDT     G   170_A     G   170_A     16   20   39     12   14   15   16   21   24   27   29   36   40   46   49   54   58   64   65   70   72   75   77 
LCS_GDT     H   171_A     H   171_A     16   20   39     12   14   16   19   23   26   30   36   38   42   46   49   54   59   64   65   70   72   75   77 
LCS_GDT     I   172_A     I   172_A     16   20   39     10   17   17   20   23   26   30   36   38   42   46   49   54   59   64   65   70   72   75   77 
LCS_GDT     D   173_A     D   173_A     16   20   39     12   17   17   20   23   26   30   36   38   42   46   49   54   59   64   65   70   72   75   77 
LCS_GDT     E   174_A     E   174_A     16   20   39     12   17   17   20   23   26   30   36   38   42   46   49   54   59   64   65   70   72   75   77 
LCS_GDT     T   175_A     T   175_A     16   20   39     12   17   17   20   23   26   30   36   38   42   46   49   54   59   64   65   70   72   75   77 
LCS_GDT     V   176_A     V   176_A     16   20   39     12   17   17   20   23   26   30   36   38   42   46   49   54   59   64   65   70   72   75   77 
LCS_GDT     Y   177_A     Y   177_A     16   20   39     12   17   17   20   23   26   30   36   38   42   46   49   54   59   64   65   70   72   75   77 
LCS_GDT     R   178_A     R   178_A     16   20   39     12   17   17   20   23   26   30   36   38   42   46   49   54   59   64   65   70   72   75   77 
LCS_GDT     A   179_A     A   179_A     16   20   39     12   17   17   20   23   26   30   36   38   42   46   49   54   59   64   65   70   72   75   77 
LCS_GDT     L   180_A     L   180_A     16   20   39     12   17   17   20   23   26   30   36   38   42   46   49   54   59   64   65   70   72   75   77 
LCS_GDT     D   181_A     D   181_A     16   20   39     12   17   17   20   23   26   30   36   38   42   46   49   54   59   64   65   70   72   75   77 
LCS_GDT     E   182_A     E   182_A     16   20   39     12   17   17   20   23   26   30   36   38   42   46   49   54   59   64   65   70   72   75   77 
LCS_GDT     M   183_A     M   183_A     16   20   39     12   17   17   20   23   26   30   36   38   42   46   49   54   59   64   65   70   72   75   77 
LCS_GDT     A   184_A     A   184_A     16   20   39     12   17   17   20   23   26   30   36   38   42   46   49   54   59   64   65   70   72   75   77 
LCS_GDT     A   185_A     A   185_A     16   20   39     11   17   17   20   23   26   30   36   38   42   46   49   54   59   64   65   70   72   75   77 
LCS_GDT     G   186_A     G   186_A     15   19   39      0    3    5   15   20   25   29   36   38   42   46   49   54   59   64   65   70   72   75   77 
LCS_GDT     A   187_A     A   187_A      3   18   39      0    3    3    6    9   14   19   24   30   41   46   49   54   59   64   65   70   72   75   77 
LCS_AVERAGE  LCS_A:  23.87  (  13.87   20.79   36.96 )

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     14     27     30     34     37     39     40     42     43     45     47     49     54     59     64     65     70     72     75     77 
GDT PERCENT_AT  11.11  21.43  23.81  26.98  29.37  30.95  31.75  33.33  34.13  35.71  37.30  38.89  42.86  46.83  50.79  51.59  55.56  57.14  59.52  61.11
GDT RMS_LOCAL    0.34   0.61   0.77   1.04   1.21   1.40   1.52   1.74   1.91   2.45   2.79   3.72   4.26   4.57   4.84   4.92   5.32   5.46   5.69   5.85
GDT RMS_ALL_AT  20.06  19.97  19.89  19.62  19.37  19.10  19.39  19.34  18.98  18.41  18.80  14.03  13.92  13.87  13.90  13.91  13.99  13.99  13.99  13.94

# 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    89_A      E    89_A
#   possible swapping detected:  E   109_A      E   109_A
#   possible swapping detected:  D   118_A      D   118_A
#   possible swapping detected:  D   125_A      D   125_A
#   possible swapping detected:  E   151_A      E   151_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    27.881     6    0.044   0.060    29.488    0.000    0.000
LGA    R    60_A      R    60_A    25.518     6    0.168   0.162    26.824    0.000    0.000
LGA    V    61_A      V    61_A    26.182     0    0.571   0.632    28.157    0.000    0.000
LGA    K    62_A      K    62_A    25.125     0    0.623   0.977    28.159    0.000    0.000
LGA    L    63_A      L    63_A    27.708     0    0.612   0.511    33.318    0.000    0.000
LGA    R    64_A      R    64_A    28.903     6    0.592   0.587    29.422    0.000    0.000
LGA    K    65_A      K    65_A    29.739     0    0.019   0.869    40.346    0.000    0.000
LGA    H    66_A      H    66_A    26.155     0    0.174   1.546    29.135    0.000    0.000
LGA    L    67_A      L    67_A    21.611     0    0.616   0.588    23.662    0.000    0.000
LGA    V    68_A      V    68_A    18.419     0    0.604   0.945    20.050    0.000    0.000
LGA    E    69_A      E    69_A    12.158     0    0.621   1.158    14.902    0.000    0.000
LGA    I    70_A      I    70_A    11.185     0    0.591   0.693    17.287    1.310    0.655
LGA    N    71_A      N    71_A    10.757     0    0.619   0.602    16.289    0.000    0.000
LGA    A    72_A      A    72_A     8.038     0    0.567   0.544     8.294    5.952    8.190
LGA    D    73_A      D    73_A     9.174     0    0.347   1.052     9.801    1.786    1.369
LGA    E    74_A      E    74_A    10.779     0    0.122   1.211    15.750    0.000    0.000
LGA    I    75_A      I    75_A     8.903     0    0.577   0.927    10.026    2.262    3.393
LGA    T    76_A      T    76_A     5.759     0    0.612   0.560     6.926   20.476   20.408
LGA    I    77_A      I    77_A     4.384     0    0.638   1.510    10.247   35.952   22.143
LGA    T    78_A      T    78_A     3.648     0    0.653   1.020     6.280   51.905   41.905
LGA    L    79_A      L    79_A     2.540     0    0.618   0.623     4.625   50.714   53.988
LGA    S    80_A      S    80_A     3.306     0    0.700   0.607     6.137   57.381   45.476
LGA    R    81_A      R    81_A     3.782     0    0.168   1.307    12.578   48.333   21.948
LGA    Y    82_A      Y    82_A     2.282     0    0.070   0.097     5.568   71.310   50.714
LGA    T    83_A      T    83_A     1.891     0    0.075   0.171     3.244   70.833   63.946
LGA    S    84_A      S    84_A     1.238     0    0.042   0.130     1.496   81.429   81.429
LGA    P    85_A      P    85_A     1.053     0    0.022   0.103     1.188   81.429   84.014
LGA    E    86_A      E    86_A     1.054     0    0.026   1.199     6.633   81.429   60.053
LGA    A    87_A      A    87_A     1.548     0    0.041   0.044     1.898   77.143   76.286
LGA    L    88_A      L    88_A     1.166     0    0.106   0.168     1.538   83.690   81.488
LGA    E    89_A      E    89_A     0.566     0    0.046   0.578     2.123   90.476   81.746
LGA    R    90_A      R    90_A     1.202     0    0.023   1.179     6.249   83.690   63.983
LGA    S    91_A      S    91_A     1.411     0    0.085   0.708     1.925   83.690   80.079
LGA    I    92_A      I    92_A     0.573     0    0.084   0.121     1.102   95.238   92.917
LGA    T    93_A      T    93_A     1.009     0    0.026   0.056     1.328   83.690   84.014
LGA    A    94_A      A    94_A     1.235     0    0.056   0.067     1.457   85.952   85.048
LGA    L    95_A      L    95_A     0.605     0    0.029   0.088     2.000   90.476   82.738
LGA    A    96_A      A    96_A     1.053     0    0.050   0.080     1.523   81.548   83.333
LGA    A    97_A      A    97_A     1.366     0    0.089   0.115     1.582   81.429   79.714
LGA    M    98_A      M    98_A     0.645     0    0.061   1.176     4.572   90.476   76.667
LGA    T    99_A      T    99_A     1.635     0    0.045   0.042     2.314   72.976   72.925
LGA    G   100_A      G   100_A     2.074     0    0.186   0.186     3.039   63.095   63.095
LGA    H   101_A      H   101_A     0.809     5    0.017   0.038     0.946   90.476   45.238
LGA    A   102_A      A   102_A     0.427     0    0.064   0.098     0.532   97.619   98.095
LGA    P   103_A      P   103_A     0.544     0    0.063   0.065     0.641   90.476   94.558
LGA    S   104_A      S   104_A     0.588     0    0.057   0.676     2.381   90.476   86.190
LGA    S   105_A      S   105_A     0.835     0    0.091   0.204     1.089   88.214   88.968
LGA    I   106_A      I   106_A     0.698     0    0.026   0.678     2.362   90.476   87.262
LGA    K   107_A      K   107_A     0.546     0    0.034   0.506     2.029   90.476   88.730
LGA    E   108_A      E   108_A     0.647     3    0.010   0.680     2.484   90.476   57.460
LGA    E   109_A      E   109_A     0.325     0    0.047   0.663     1.979  100.000   93.862
LGA    C   110_A      C   110_A     0.480     0    0.025   0.068     0.761   95.238   93.651
LGA    V   111_A      V   111_A     0.663     0    0.024   0.099     0.980   90.476   90.476
LGA    E   112_A      E   112_A     0.361     0    0.057   0.572     2.530  100.000   91.058
LGA    L   113_A      L   113_A     0.632     0    0.032   1.471     4.215   90.476   76.429
LGA    I   114_A      I   114_A     1.139     0    0.072   0.096     1.751   81.548   80.417
LGA    D   115_A      D   115_A     1.375     0    0.115   0.872     1.805   79.286   80.417
LGA    K   116_A      K   116_A     1.805     2    0.255   0.237     1.902   72.857   56.667
LGA    L   117_A      L   117_A     2.243     0    0.625   0.664     3.117   61.071   62.917
LGA    D   118_A      D   118_A     3.556     0    0.606   1.246     6.619   32.024   26.786
LGA    W   119_A      W   119_A    10.296     0    0.609   1.363    18.652    1.786    0.510
LGA    L   120_A      L   120_A    12.104     0    0.699   0.591    16.035    0.000    0.000
LGA    R   121_A      R   121_A     9.487     0    0.343   1.122    10.690    0.357   10.909
LGA    V   122_A      V   122_A    13.919     0    0.161   0.182    18.281    0.000    0.000
LGA    E   123_A      E   123_A     9.045     4    0.614   0.621    10.863   10.238    4.550
LGA    N   124_A      N   124_A     5.985     0    0.548   0.525     9.186   10.000   31.310
LGA    D   125_A      D   125_A    10.301     0    0.371   1.326    14.653    1.905    0.952
LGA    V   126_A      V   126_A    12.113     0    0.067   0.973    16.105    0.000    0.000
LGA    I   127_A      I   127_A    16.632     0    0.068   0.199    19.377    0.000    0.000
LGA    Q   128_A      Q   128_A    20.543     0    0.058   1.278    26.827    0.000    0.000
LGA    Y   129_A      Y   129_A    21.026     0    0.021   1.064    23.491    0.000    0.000
LGA    P   130_A      P   130_A    28.180     0    0.030   0.075    30.211    0.000    0.000
LGA    T   131_A      T   131_A    27.053     0    0.055   0.175    27.632    0.000    0.000
LGA    L   132_A      L   132_A    22.177     0    0.046   0.174    24.594    0.000    0.000
LGA    S   133_A      S   133_A    26.071     0    0.080   0.562    29.619    0.000    0.000
LGA    K   134_A      K   134_A    32.845     4    0.098   0.096    34.750    0.000    0.000
LGA    L   135_A      L   135_A    31.150     0    0.029   1.363    32.586    0.000    0.000
LGA    L   136_A      L   136_A    28.760     0    0.034   1.295    32.219    0.000    0.000
LGA    E   137_A      E   137_A    34.570     4    0.073   0.074    38.204    0.000    0.000
LGA    L   138_A      L   138_A    39.264     3    0.016   0.015    41.508    0.000    0.000
LGA    Y   139_A      Y   139_A    37.329     0    0.064   1.282    39.689    0.000    0.000
LGA    N   140_A      N   140_A    37.092     0    0.050   0.178    41.016    0.000    0.000
LGA    S   141_A      S   141_A    43.625     0    0.230   0.740    47.946    0.000    0.000
LGA    Q   142_A      Q   142_A    46.839     4    0.116   0.111    48.004    0.000    0.000
LGA    N   143_A      N   143_A    44.490     3    0.124   0.120    44.883    0.000    0.000
LGA    H   147_A      H   147_A    34.422     0    0.674   1.150    36.084    0.000    0.000
LGA    L   148_A      L   148_A    29.626     0    0.301   1.334    31.747    0.000    0.000
LGA    S   149_A      S   149_A    24.806     0    0.032   0.571    26.383    0.000    0.000
LGA    I   150_A      I   150_A    20.250     0    0.066   0.200    21.960    0.000    0.000
LGA    E   151_A      E   151_A    16.790     0    0.054   1.330    20.175    0.000    0.000
LGA    K   152_A      K   152_A    19.608     0    0.072   1.048    23.288    0.000    0.000
LGA    L   153_A      L   153_A    20.365     0    0.038   0.111    23.298    0.000    0.000
LGA    I   154_A      I   154_A    14.987     0    0.030   0.084    16.904    0.000    0.000
LGA    A   155_A      A   155_A    13.400     0    0.043   0.050    14.248    0.000    0.000
LGA    G   156_A      G   156_A    17.195     0    0.033   0.033    17.195    0.000    0.000
LGA    L   157_A      L   157_A    17.293     0    0.029   0.125    21.306    0.000    0.000
LGA    A   158_A      A   158_A    12.458     0    0.189   0.198    14.057    0.000    0.000
LGA    V   159_A      V   159_A    13.790     0    0.356   1.270    15.207    0.000    0.000
LGA    R   160_A      R   160_A    18.527     0    0.561   0.992    20.815    0.000    0.000
LGA    R   161_A      R   161_A    19.146     0    0.060   1.148    27.126    0.000    0.000
LGA    K   162_A      K   162_A    18.685     0    0.070   1.104    19.093    0.000    0.000
LGA    V   163_A      V   163_A    18.891     0    0.014   0.163    19.613    0.000    0.000
LGA    C   164_A      C   164_A    19.564     0    0.037   0.038    20.504    0.000    0.000
LGA    K   165_A      K   165_A    19.646     0    0.064   0.662    20.815    0.000    0.000
LGA    L   166_A      L   166_A    20.292     0    0.078   0.159    22.004    0.000    0.000
LGA    V   167_A      V   167_A    21.818     0    0.034   0.104    23.252    0.000    0.000
LGA    Q   168_A      Q   168_A    22.484     0    0.044   1.336    24.331    0.000    0.000
LGA    D   169_A      D   169_A    22.522     0    0.034   1.066    23.876    0.000    0.000
LGA    G   170_A      G   170_A    24.765     0    0.026   0.026    25.522    0.000    0.000
LGA    H   171_A      H   171_A    23.504     0    0.207   0.991    23.529    0.000    0.000
LGA    I   172_A      I   172_A    24.564     0    0.202   1.213    26.593    0.000    0.000
LGA    D   173_A      D   173_A    27.357     0    0.042   0.373    27.668    0.000    0.000
LGA    E   174_A      E   174_A    28.739     4    0.018   0.025    30.156    0.000    0.000
LGA    T   175_A      T   175_A    26.099     0    0.021   0.174    26.996    0.000    0.000
LGA    V   176_A      V   176_A    23.167     0    0.029   0.096    24.364    0.000    0.000
LGA    Y   177_A      Y   177_A    25.145     7    0.022   0.039    26.663    0.000    0.000
LGA    R   178_A      R   178_A    26.135     0    0.034   1.397    29.058    0.000    0.000
LGA    A   179_A      A   179_A    22.503     0    0.036   0.040    23.701    0.000    0.000
LGA    L   180_A      L   180_A    21.830     0    0.023   1.430    23.370    0.000    0.000
LGA    D   181_A      D   181_A    24.610     0    0.019   0.754    29.974    0.000    0.000
LGA    E   182_A      E   182_A    24.190     0    0.032   0.192    26.489    0.000    0.000
LGA    M   183_A      M   183_A    21.156     0    0.086   1.204    22.184    0.000    0.000
LGA    A   184_A      A   184_A    22.186     0    0.019   0.039    23.116    0.000    0.000
LGA    A   185_A      A   185_A    24.805     0    0.638   0.597    25.829    0.000    0.000
LGA    G   186_A      G   186_A    24.824     0    0.464   0.464    26.109    0.000    0.000
LGA    A   187_A      A   187_A    22.360     0    0.393   0.528    22.873    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      126     504    504  100.00     936    936  100.00               126
SUMMARY(RMSD_GDC):    13.488         13.474                 13.661           26.841   24.691

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  187  126    4.0     42    1.74    33.333    30.066     2.287

LGA_LOCAL      RMSD:   1.737  Number of atoms:   42  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  19.342  Number of assigned atoms:  126 
Std_ASGN_ATOMS RMSD:  13.488  Standard rmsd on all 126 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.651886 * X  +  -0.018394 * Y  +  -0.758094 * Z  +  -3.310396
  Y_new =   0.722533 * X  +  -0.288408 * Y  +   0.628305 * Z  +  15.950069
  Z_new =  -0.230197 * X  +  -0.957331 * Y  +  -0.174719 * Z  +  53.123032 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.836754  0.232280 -1.751316   [DEG:   47.9425   13.3087 -100.3430 ]
ZXZ: -2.262851  1.746417 -2.905616   [DEG: -129.6518  100.0623 -166.4795 ]
 
# END of job
