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

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

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

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    37     151_A - 187_A       4.75    24.65
  LCS_AVERAGE:     25.32

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    23      78_A - 100_A       1.76    25.95
  LCS_AVERAGE:     12.79

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    16     102_A - 117_A       0.97    16.75
  LONGEST_CONTINUOUS_SEGMENT:    16     128_A - 143_A       0.83    26.72
  LONGEST_CONTINUOUS_SEGMENT:    16     172_A - 187_A       0.89    16.97
  LCS_AVERAGE:      9.34

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    4    6    7    9   12   14   17   23   26   29   34   38   41   45   47   49   51   55   58 
LCS_GDT     R    60_A     R    60_A      3    4   10      3    3    3    4    5   16   19   20   21   26   28   31   35   39   42   46   49   51   55   58 
LCS_GDT     V    61_A     V    61_A      3    4   10      3    3    6    7    9   12   14   17   21   26   29   34   38   41   45   47   49   51   55   58 
LCS_GDT     K    62_A     K    62_A      3    4   10      1    3    3    4    5   10   10   12   16   25   29   34   38   41   45   47   49   51   55   58 
LCS_GDT     L    63_A     L    63_A      3    4   15      1    3    3    4    5    7   13   14   16   19   29   34   38   41   45   47   49   51   55   58 
LCS_GDT     R    64_A     R    64_A      4    5   15      3    4    4    4    5    6   17   17   19   21   27   34   38   41   45   47   49   51   55   58 
LCS_GDT     K    65_A     K    65_A      4    5   15      3    4    4    4    5    6    6    9    9   10   10   13   23   28   29   33   39   41   48   54 
LCS_GDT     H    66_A     H    66_A      4    5   15      3    4    4    4    5    6    6    9    9   10   10   11   15   18   21   22   23   26   30   35 
LCS_GDT     L    67_A     L    67_A      4    5   16      3    4    4    4    6    7    9    9   13   18   20   23   25   29   37   43   48   51   55   58 
LCS_GDT     V    68_A     V    68_A      3    5   16      3    3    3    4    6    7   17   17   21   25   29   34   38   41   45   48   52   55   57   59 
LCS_GDT     E    69_A     E    69_A      3    3   32      3    3    3    4    6    7    9   12   17   21   26   30   33   40   43   48   52   55   57   59 
LCS_GDT     I    70_A     I    70_A      4    6   33      2    3    4    4    5    6   12   18   21   25   27   30   34   40   43   48   52   55   57   59 
LCS_GDT     N    71_A     N    71_A      4    6   33      2    3    4    4    6    8   11   13   17   21   25   29   34   39   43   48   52   55   57   59 
LCS_GDT     A    72_A     A    72_A      4    9   33      0    3    4    4    9    9   11   14   18   21   24   27   32   38   41   47   52   55   57   59 
LCS_GDT     D    73_A     D    73_A      4    9   33      0    3    4    4    9    9   14   18   20   23   27   28   30   32   34   36   43   46   49   56 
LCS_GDT     E    74_A     E    74_A      8    9   33      4    6    8    8   11   15   17   18   20   23   24   28   28   32   33   35   38   41   42   45 
LCS_GDT     I    75_A     I    75_A      8    9   33      4    6    8    8   11   15   17   19   21   25   27   28   30   32   34   36   41   46   49   59 
LCS_GDT     T    76_A     T    76_A      8    9   33      4    6    8    8   11   16   17   20   24   25   27   28   30   32   35   43   50   55   57   59 
LCS_GDT     I    77_A     I    77_A      8    9   33      4    5    8    8   11   16   17   21   24   25   27   28   32   38   43   48   52   55   57   59 
LCS_GDT     T    78_A     T    78_A      8   23   33      3    6   10   15   21   22   22   23   24   25   27   29   34   40   43   48   52   55   57   59 
LCS_GDT     L    79_A     L    79_A      8   23   33      5   12   16   19   21   22   22   23   24   25   27   30   34   40   43   48   52   55   57   59 
LCS_GDT     S    80_A     S    80_A      8   23   33      3   10   16   19   21   22   22   23   24   25   27   30   34   40   43   48   52   55   57   59 
LCS_GDT     R    81_A     R    81_A      8   23   33      3    8   13   19   21   22   22   23   24   25   27   30   34   37   40   45   49   52   54   59 
LCS_GDT     Y    82_A     Y    82_A      4   23   33      1    4    6   19   21   22   22   23   24   25   27   30   34   40   43   48   51   55   57   59 
LCS_GDT     T    83_A     T    83_A      3   23   33      3    3    4    7    9   12   20   23   23   25   27   30   33   35   38   40   44   48   53   56 
LCS_GDT     S    84_A     S    84_A     10   23   33      4    6   15   19   21   22   22   23   24   25   27   30   34   40   43   48   52   55   57   59 
LCS_GDT     P    85_A     P    85_A     15   23   33      4   10   15   19   21   22   22   23   24   25   27   30   34   37   43   47   50   55   57   59 
LCS_GDT     E    86_A     E    86_A     15   23   33      4   10   16   19   21   22   22   23   24   25   27   30   34   40   43   48   52   55   57   59 
LCS_GDT     A    87_A     A    87_A     15   23   33      5   12   16   19   21   22   22   23   24   25   27   30   34   40   43   48   52   55   57   59 
LCS_GDT     L    88_A     L    88_A     15   23   33      5   12   16   19   21   22   22   23   24   25   27   30   34   40   43   48   52   55   57   59 
LCS_GDT     E    89_A     E    89_A     15   23   33      6   12   16   19   21   22   22   23   24   25   27   30   34   40   43   48   52   55   57   59 
LCS_GDT     R    90_A     R    90_A     15   23   33      6   12   16   19   21   22   22   23   24   25   27   30   34   40   43   48   52   55   57   59 
LCS_GDT     S    91_A     S    91_A     15   23   33      5   11   16   19   21   22   22   23   24   25   27   30   34   40   43   48   52   55   57   59 
LCS_GDT     I    92_A     I    92_A     15   23   33      4   11   16   19   21   22   22   23   24   25   27   30   34   40   43   48   52   55   57   59 
LCS_GDT     T    93_A     T    93_A     15   23   33      6   12   16   19   21   22   22   23   24   25   27   30   34   40   43   48   52   55   57   59 
LCS_GDT     A    94_A     A    94_A     15   23   33      6   12   16   19   21   22   22   23   24   25   27   30   34   40   43   48   52   55   57   59 
LCS_GDT     L    95_A     L    95_A     15   23   33      6   12   16   19   21   22   22   23   24   25   27   30   34   40   43   48   52   55   57   59 
LCS_GDT     A    96_A     A    96_A     15   23   33      6   12   16   19   21   22   22   23   24   25   27   30   34   40   43   48   52   55   57   59 
LCS_GDT     A    97_A     A    97_A     15   23   33      5   12   16   19   21   22   22   23   24   25   27   30   34   40   43   48   52   55   57   59 
LCS_GDT     M    98_A     M    98_A     15   23   33      6   12   16   19   21   22   22   23   24   25   27   30   34   40   43   48   52   55   57   59 
LCS_GDT     T    99_A     T    99_A     15   23   33      6   12   16   19   21   22   22   23   24   25   27   30   33   37   40   47   49   52   57   59 
LCS_GDT     G   100_A     G   100_A     15   23   33      3    7   15   19   21   22   22   23   24   25   27   30   34   40   43   47   49   52   57   59 
LCS_GDT     H   101_A     H   101_A      4   19   33      3    3   11   15   16   18   19   20   21   24   27   30   34   40   43   48   52   55   57   59 
LCS_GDT     A   102_A     A   102_A     16   19   33      3    6   14   15   16   18   19   20   22   25   27   30   34   40   43   48   52   55   57   59 
LCS_GDT     P   103_A     P   103_A     16   19   32      3    3   13   15   16   18   19   20   23   26   28   30   32   35   41   47   52   55   57   59 
LCS_GDT     S   104_A     S   104_A     16   19   32      9   14   14   15   16   18   19   20   22   26   28   30   32   36   41   46   52   55   57   59 
LCS_GDT     S   105_A     S   105_A     16   19   32      9   14   14   15   16   18   19   20   23   26   28   30   33   39   43   48   52   55   57   59 
LCS_GDT     I   106_A     I   106_A     16   19   32      9   14   14   15   16   18   19   20   23   26   28   30   34   40   43   48   52   55   57   59 
LCS_GDT     K   107_A     K   107_A     16   19   32      9   14   14   15   16   18   19   20   23   26   28   30   34   40   43   48   52   55   57   59 
LCS_GDT     E   108_A     E   108_A     16   19   32      9   14   14   15   16   18   19   20   23   26   28   30   33   39   43   48   52   55   57   59 
LCS_GDT     E   109_A     E   109_A     16   19   32      9   14   14   15   16   18   19   20   23   26   28   30   34   40   43   48   52   55   57   59 
LCS_GDT     C   110_A     C   110_A     16   19   32      9   14   14   15   16   18   19   20   23   26   28   30   34   40   43   48   52   55   57   59 
LCS_GDT     V   111_A     V   111_A     16   19   32      9   14   14   15   16   18   19   20   23   26   28   30   34   40   43   48   52   55   57   59 
LCS_GDT     E   112_A     E   112_A     16   19   32      9   14   14   15   16   18   19   20   23   26   28   30   34   40   43   48   52   55   57   59 
LCS_GDT     L   113_A     L   113_A     16   19   32      9   14   14   15   16   18   19   20   23   26   28   30   34   40   43   48   52   55   57   59 
LCS_GDT     I   114_A     I   114_A     16   19   32      9   14   14   15   16   18   19   20   23   26   28   30   34   40   43   48   52   55   57   59 
LCS_GDT     D   115_A     D   115_A     16   19   32      4   14   14   15   16   18   19   20   23   26   28   30   34   40   43   48   52   55   57   59 
LCS_GDT     K   116_A     K   116_A     16   19   32      5   14   14   15   16   18   19   20   23   26   28   30   34   40   43   48   52   55   57   59 
LCS_GDT     L   117_A     L   117_A     16   19   32      4   14   14   15   16   18   19   20   23   26   28   33   38   41   45   48   52   55   57   59 
LCS_GDT     D   118_A     D   118_A     15   19   32      0    3    3   10   16   18   19   20   23   26   28   30   37   41   45   48   52   55   57   59 
LCS_GDT     W   119_A     W   119_A      3   19   32      1    3    8   15   20   22   22   24   28   30   32   35   38   41   45   48   52   55   57   59 
LCS_GDT     L   120_A     L   120_A      4    5   32      2    5   14   17   18   19   19   23   26   30   32   35   38   41   45   48   52   55   57   59 
LCS_GDT     R   121_A     R   121_A      4    6   32      3    4    8   15   20   22   23   25   28   30   32   35   38   41   45   48   52   55   57   59 
LCS_GDT     V   122_A     V   122_A      5    6   32      3    4    6   10   20   22   23   25   28   30   32   35   38   41   45   47   49   51   55   58 
LCS_GDT     E   123_A     E   123_A      5    6   32      3    4    6    7   10   13   16   18   28   30   32   35   38   41   45   47   52   55   57   59 
LCS_GDT     N   124_A     N   124_A      5    6   32      3    4    6    7   16   17   19   21   25   28   32   35   38   41   45   48   52   55   57   59 
LCS_GDT     D   125_A     D   125_A      5   19   32      3    4    8   15   20   22   22   24   28   30   32   35   38   41   45   48   52   55   57   59 
LCS_GDT     V   126_A     V   126_A      5   19   32      3    4    6   14   18   19   19   22   26   28   30   32   35   40   45   48   52   55   57   59 
LCS_GDT     I   127_A     I   127_A      4   19   32      3    3    4    6   13   19   19   20   23   28   30   30   34   40   43   48   52   55   57   59 
LCS_GDT     Q   128_A     Q   128_A     16   19   32      5   12   16   17   18   20   21   22   26   28   30   30   34   39   43   48   52   55   57   59 
LCS_GDT     Y   129_A     Y   129_A     16   19   32      8   13   16   17   18   20   21   22   26   28   30   30   33   39   43   48   52   55   57   59 
LCS_GDT     P   130_A     P   130_A     16   19   32      8   13   16   17   18   20   21   22   26   28   30   30   33   38   43   47   52   55   57   59 
LCS_GDT     T   131_A     T   131_A     16   19   32      8   13   16   17   18   20   21   22   26   28   30   30   33   36   38   39   42   44   48   53 
LCS_GDT     L   132_A     L   132_A     16   19   32      8   13   16   17   18   20   21   22   26   28   30   30   33   36   38   40   46   50   53   58 
LCS_GDT     S   133_A     S   133_A     16   19   32      8   13   16   17   18   20   21   22   26   28   30   30   33   36   38   40   44   46   48   51 
LCS_GDT     K   134_A     K   134_A     16   19   29      8   12   16   17   18   20   21   22   26   28   30   30   33   36   38   39   39   41   45   48 
LCS_GDT     L   135_A     L   135_A     16   19   29      8   13   16   17   18   20   21   22   26   28   30   30   33   36   38   39   39   41   43   49 
LCS_GDT     L   136_A     L   136_A     16   19   29      8   13   16   17   18   20   21   22   26   28   30   30   33   36   38   40   44   46   50   52 
LCS_GDT     E   137_A     E   137_A     16   19   29      5   13   16   17   18   20   21   22   26   28   30   30   33   36   38   40   44   45   48   50 
LCS_GDT     L   138_A     L   138_A     16   19   29      5   13   16   17   18   20   21   22   26   28   30   30   33   36   38   39   39   41   43   46 
LCS_GDT     Y   139_A     Y   139_A     16   19   29      6   13   16   17   18   20   21   22   26   28   30   30   33   36   38   39   39   41   43   47 
LCS_GDT     N   140_A     N   140_A     16   19   29      5   13   16   17   18   20   21   22   26   28   30   30   33   36   38   39   40   46   50   52 
LCS_GDT     S   141_A     S   141_A     16   19   29      5   13   16   17   18   20   21   22   26   28   30   30   33   36   38   39   39   41   43   47 
LCS_GDT     Q   142_A     Q   142_A     16   19   29      5   13   16   17   18   20   21   22   26   28   30   30   33   36   38   39   39   41   43   46 
LCS_GDT     N   143_A     N   143_A     16   19   29      5    9   16   17   18   20   21   22   26   28   30   30   33   36   38   39   43   45   50   52 
LCS_GDT     H   147_A     H   147_A      3    4   29      3    3    3    5    7    7   11   18   23   24   28   30   34   38   41   44   49   51   55   57 
LCS_GDT     L   148_A     L   148_A      3   13   29      3    3    3    5    7   11   13   14   14   20   27   33   38   40   45   47   49   51   55   58 
LCS_GDT     S   149_A     S   149_A     12   13   29     10   12   12   12   12   13   16   18   21   25   29   34   38   41   45   47   49   51   55   58 
LCS_GDT     I   150_A     I   150_A     12   13   29     10   12   12   12   12   13   16   18   19   20   27   32   38   40   45   47   49   51   55   58 
LCS_GDT     E   151_A     E   151_A     12   13   37     10   12   12   12   12   13   16   18   19   21   27   34   38   41   45   47   49   51   55   58 
LCS_GDT     K   152_A     K   152_A     12   13   37     10   12   12   15   17   18   19   22   26   29   32   35   38   41   45   47   49   51   55   58 
LCS_GDT     L   153_A     L   153_A     12   13   37     10   12   12   12   12   13   16   18   23   25   30   34   38   41   45   47   49   51   55   58 
LCS_GDT     I   154_A     I   154_A     12   13   37     10   12   12   12   12   18   19   19   21   26   31   35   38   41   45   47   49   51   55   58 
LCS_GDT     A   155_A     A   155_A     12   13   37     10   12   12   12   12   13   16   23   28   30   33   35   37   39   44   47   49   51   55   58 
LCS_GDT     G   156_A     G   156_A     12   13   37     10   12   12   12   14   20   23   26   28   30   33   35   37   39   40   45   48   51   54   56 
LCS_GDT     L   157_A     L   157_A     12   13   37     10   12   12   12   14   16   20   22   28   30   33   35   37   41   45   47   49   51   55   58 
LCS_GDT     A   158_A     A   158_A     12   13   37     10   12   12   12   12   13   18   25   28   30   33   35   37   41   45   47   49   51   55   58 
LCS_GDT     V   159_A     V   159_A     12   15   37      3   12   12   12   16   19   23   26   28   30   33   34   36   36   38   39   41   42   44   49 
LCS_GDT     R   160_A     R   160_A     12   15   37      3   12   12   12   17   20   23   26   28   30   33   34   36   36   38   39   41   42   47   49 
LCS_GDT     R   161_A     R   161_A     12   15   37     10   11   12   14   16   19   23   26   28   30   33   33   36   36   38   41   43   44   47   54 
LCS_GDT     K   162_A     K   162_A     12   15   37     10   11   12   14   16   19   23   26   28   30   33   34   36   36   39   45   49   51   55   57 
LCS_GDT     V   163_A     V   163_A     12   15   37     10   11   12   14   16   19   23   26   28   30   33   35   38   41   45   47   49   51   55   58 
LCS_GDT     C   164_A     C   164_A     12   15   37     10   11   12   14   16   19   23   26   28   30   33   35   38   41   45   47   49   51   55   58 
LCS_GDT     K   165_A     K   165_A     12   15   37     10   11   12   14   16   19   23   26   28   30   33   35   38   41   45   47   49   51   55   58 
LCS_GDT     L   166_A     L   166_A     12   15   37     10   11   12   14   16   20   23   26   28   30   33   35   38   41   45   47   49   51   55   58 
LCS_GDT     V   167_A     V   167_A     12   15   37     10   11   12   14   16   20   23   26   28   30   33   35   38   41   45   47   49   51   55   58 
LCS_GDT     Q   168_A     Q   168_A     12   15   37     10   11   12   14   16   20   23   26   28   30   33   35   38   41   45   47   49   51   55   58 
LCS_GDT     D   169_A     D   169_A     12   15   37     10   11   12   14   20   22   23   26   28   30   33   35   38   41   45   47   48   51   55   58 
LCS_GDT     G   170_A     G   170_A     12   18   37     10   11   12   14   20   22   23   26   28   30   33   35   37   39   41   45   47   51   55   58 
LCS_GDT     H   171_A     H   171_A     12   18   37      3    4   11   15   19   22   23   26   28   30   33   35   37   39   40   45   47   50   55   58 
LCS_GDT     I   172_A     I   172_A     16   18   37      3    5   15   15   17   18   22   24   27   30   33   34   36   38   40   43   47   50   55   58 
LCS_GDT     D   173_A     D   173_A     16   18   37      8   14   15   15   19   22   23   26   28   30   33   35   37   39   41   45   47   51   55   58 
LCS_GDT     E   174_A     E   174_A     16   18   37     11   14   15   15   20   22   23   26   28   30   33   35   38   41   45   47   49   51   55   58 
LCS_GDT     T   175_A     T   175_A     16   18   37     11   14   15   15   20   22   23   26   28   30   33   35   38   41   45   47   49   51   55   58 
LCS_GDT     V   176_A     V   176_A     16   18   37     11   14   15   15   20   22   23   26   28   30   33   35   38   41   45   47   49   51   55   58 
LCS_GDT     Y   177_A     Y   177_A     16   18   37     11   14   15   15   20   22   23   26   28   30   33   35   38   41   45   47   49   51   55   58 
LCS_GDT     R   178_A     R   178_A     16   18   37     11   14   15   15   20   22   23   26   28   30   33   35   38   41   45   47   49   51   55   58 
LCS_GDT     A   179_A     A   179_A     16   18   37     11   14   15   15   20   22   23   26   28   30   33   35   38   41   45   47   49   51   55   58 
LCS_GDT     L   180_A     L   180_A     16   18   37     11   14   15   15   20   22   23   26   28   30   33   35   38   41   45   47   49   51   55   58 
LCS_GDT     D   181_A     D   181_A     16   18   37     11   14   15   15   20   22   23   26   28   30   33   35   38   41   45   47   49   51   55   58 
LCS_GDT     E   182_A     E   182_A     16   18   37     11   14   15   15   20   22   23   26   28   30   33   35   38   41   45   47   49   51   55   58 
LCS_GDT     M   183_A     M   183_A     16   18   37     11   14   15   15   20   22   23   26   28   30   33   35   38   41   45   47   49   51   55   58 
LCS_GDT     A   184_A     A   184_A     16   18   37     11   14   15   15   20   22   23   25   28   30   33   35   38   41   45   47   49   51   55   58 
LCS_GDT     A   185_A     A   185_A     16   18   37     11   14   15   15   20   22   23   26   28   30   33   35   37   41   45   47   49   51   55   58 
LCS_GDT     G   186_A     G   186_A     16   18   37      4   14   15   15   20   22   23   26   28   30   33   35   37   41   45   47   49   51   55   58 
LCS_GDT     A   187_A     A   187_A     16   18   37      0    0    5   15   20   22   23   26   28   30   33   35   37   39   40   45   47   50   53   56 
LCS_AVERAGE  LCS_A:  15.82  (   9.34   12.79   25.32 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT     11     14     16     19     21     22     23     26     28     30     33     35     38     41     45     48     52     55     57     59 
GDT PERCENT_AT   8.73  11.11  12.70  15.08  16.67  17.46  18.25  20.63  22.22  23.81  26.19  27.78  30.16  32.54  35.71  38.10  41.27  43.65  45.24  46.83
GDT RMS_LOCAL    0.26   0.47   0.83   1.11   1.34   1.47   2.29   2.69   2.73   2.97   3.47   3.53   4.70   4.96   5.22   5.74   6.08   6.33   6.50   6.73
GDT RMS_ALL_AT  16.66  16.78  26.72  25.81  26.04  25.84  31.31  29.77  22.02  21.87  27.63  22.17  15.12  15.39  15.31  21.87  21.28  21.50  21.61  21.74

# 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:  E   151_A      E   151_A
#   possible swapping detected:  D   169_A      D   169_A
#   possible swapping detected:  D   173_A      D   173_A
#   possible swapping detected:  E   182_A      E   182_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    R    59_A      R    59_A    46.319     6    0.093   0.113    48.759    0.000    0.000
LGA    R    60_A      R    60_A    45.963     6    0.155   0.152    47.820    0.000    0.000
LGA    V    61_A      V    61_A    40.552     0    0.607   0.615    43.059    0.000    0.000
LGA    K    62_A      K    62_A    37.205     0    0.623   1.101    38.699    0.000    0.000
LGA    L    63_A      L    63_A    36.621     0    0.595   1.056    40.405    0.000    0.000
LGA    R    64_A      R    64_A    30.619     6    0.547   0.544    33.202    0.000    0.000
LGA    K    65_A      K    65_A    29.491     0    0.101   0.273    30.950    0.000    0.000
LGA    H    66_A      H    66_A    33.408     0    0.159   0.982    36.119    0.000    0.000
LGA    L    67_A      L    67_A    33.466     0    0.556   1.422    33.466    0.000    0.000
LGA    V    68_A      V    68_A    32.347     0    0.600   0.902    33.788    0.000    0.000
LGA    E    69_A      E    69_A    34.572     0    0.650   0.511    36.236    0.000    0.000
LGA    I    70_A      I    70_A    40.500     0    0.621   0.735    44.524    0.000    0.000
LGA    N    71_A      N    71_A    38.849     0    0.164   0.756    39.383    0.000    0.000
LGA    A    72_A      A    72_A    39.297     0    0.382   0.495    40.691    0.000    0.000
LGA    D    73_A      D    73_A    37.219     0    0.556   1.147    40.346    0.000    0.000
LGA    E    74_A      E    74_A    38.397     0    0.725   1.132    41.912    0.000    0.000
LGA    I    75_A      I    75_A    38.839     0    0.140   0.714    42.613    0.000    0.000
LGA    T    76_A      T    76_A    36.621     0    0.071   1.018    39.170    0.000    0.000
LGA    I    77_A      I    77_A    38.397     0    0.150   0.959    43.604    0.000    0.000
LGA    T    78_A      T    78_A    36.348     0    0.056   0.053    38.091    0.000    0.000
LGA    L    79_A      L    79_A    36.832     0    0.093   0.175    40.842    0.000    0.000
LGA    S    80_A      S    80_A    35.518     0    0.175   0.257    37.178    0.000    0.000
LGA    R    81_A      R    81_A    36.894     0    0.702   1.181    40.699    0.000    0.000
LGA    Y    82_A      Y    82_A    38.433     0    0.648   1.513    40.887    0.000    0.000
LGA    T    83_A      T    83_A    44.366     0    0.282   1.012    48.629    0.000    0.000
LGA    S    84_A      S    84_A    44.279     0    0.523   0.524    46.941    0.000    0.000
LGA    P    85_A      P    85_A    48.473     0    0.122   0.116    49.952    0.000    0.000
LGA    E    86_A      E    86_A    52.136     0    0.048   1.311    56.841    0.000    0.000
LGA    A    87_A      A    87_A    48.693     0    0.073   0.076    49.683    0.000    0.000
LGA    L    88_A      L    88_A    45.684     0    0.000   1.415    46.854    0.000    0.000
LGA    E    89_A      E    89_A    49.358     0    0.027   1.066    52.970    0.000    0.000
LGA    R    90_A      R    90_A    51.009     0    0.084   1.589    53.825    0.000    0.000
LGA    S    91_A      S    91_A    46.941     0    0.061   0.668    48.261    0.000    0.000
LGA    I    92_A      I    92_A    46.742     0    0.125   0.648    48.224    0.000    0.000
LGA    T    93_A      T    93_A    51.111     0    0.077   1.128    54.838    0.000    0.000
LGA    A    94_A      A    94_A    49.039     0    0.105   0.121    49.664    0.000    0.000
LGA    L    95_A      L    95_A    44.641     0    0.073   0.157    46.102    0.000    0.000
LGA    A    96_A      A    96_A    47.682     0    0.000   0.052    49.217    0.000    0.000
LGA    A    97_A      A    97_A    50.550     0    0.132   0.130    51.839    0.000    0.000
LGA    M    98_A      M    98_A    46.306     0    0.073   1.177    47.633    0.000    0.000
LGA    T    99_A      T    99_A    43.672     0    0.117   1.100    45.290    0.000    0.000
LGA    G   100_A      G   100_A    48.741     0    0.152   0.152    50.053    0.000    0.000
LGA    H   101_A      H   101_A    48.973     5    0.080   0.111    48.973    0.000    0.000
LGA    A   102_A      A   102_A    49.399     0    0.103   0.149    50.669    0.000    0.000
LGA    P   103_A      P   103_A    45.136     0    0.567   1.073    48.163    0.000    0.000
LGA    S   104_A      S   104_A    43.484     0    0.038   0.544    44.523    0.000    0.000
LGA    S   105_A      S   105_A    42.922     0    0.030   0.670    46.109    0.000    0.000
LGA    I   106_A      I   106_A    41.561     0    0.073   1.190    42.564    0.000    0.000
LGA    K   107_A      K   107_A    38.748     0    0.100   0.763    39.974    0.000    0.000
LGA    E   108_A      E   108_A    37.286     3    0.081   0.105    38.289    0.000    0.000
LGA    E   109_A      E   109_A    36.889     0    0.055   0.771    41.995    0.000    0.000
LGA    C   110_A      C   110_A    34.940     0    0.076   0.078    37.141    0.000    0.000
LGA    V   111_A      V   111_A    32.255     0    0.079   0.156    33.504    0.000    0.000
LGA    E   112_A      E   112_A    31.512     0    0.121   0.633    34.435    0.000    0.000
LGA    L   113_A      L   113_A    31.537     0    0.064   0.126    35.268    0.000    0.000
LGA    I   114_A      I   114_A    28.368     0    0.089   0.115    31.018    0.000    0.000
LGA    D   115_A      D   115_A    26.009     0    0.109   0.675    27.193    0.000    0.000
LGA    K   116_A      K   116_A    24.823     2    0.268   1.016    27.731    0.000    0.000
LGA    L   117_A      L   117_A    24.489     0    0.593   0.634    28.946    0.000    0.000
LGA    D   118_A      D   118_A    18.814     0    0.636   1.311    20.446    0.000    0.000
LGA    W   119_A      W   119_A    16.162     0    0.696   1.353    17.616    0.000    0.000
LGA    L   120_A      L   120_A    16.288     0    0.715   0.585    20.636    0.000    0.000
LGA    R   121_A      R   121_A    12.069     0    0.078   0.231    13.630    0.000    0.000
LGA    V   122_A      V   122_A     8.854     0    0.594   0.589     9.994    1.667    4.558
LGA    E   123_A      E   123_A     8.100     4    0.451   0.572     9.802    3.214    3.333
LGA    N   124_A      N   124_A    13.027     0    0.477   0.453    16.508    0.000    0.000
LGA    D   125_A      D   125_A    15.335     0    0.152   1.400    16.597    0.000    0.000
LGA    V   126_A      V   126_A    21.014     0    0.164   0.207    23.917    0.000    0.000
LGA    I   127_A      I   127_A    22.467     0    0.245   0.692    24.559    0.000    0.000
LGA    Q   128_A      Q   128_A    22.941     0    0.561   1.213    24.523    0.000    0.000
LGA    Y   129_A      Y   129_A    24.347     0    0.042   1.359    25.879    0.000    0.000
LGA    P   130_A      P   130_A    27.499     0    0.090   0.085    29.890    0.000    0.000
LGA    T   131_A      T   131_A    23.713     0    0.100   0.174    24.984    0.000    0.000
LGA    L   132_A      L   132_A    19.909     0    0.079   1.049    21.199    0.000    0.000
LGA    S   133_A      S   133_A    23.539     0    0.000   0.030    26.801    0.000    0.000
LGA    K   134_A      K   134_A    26.358     4    0.164   0.174    27.673    0.000    0.000
LGA    L   135_A      L   135_A    21.851     0    0.113   1.377    23.314    0.000    0.000
LGA    L   136_A      L   136_A    19.654     0    0.068   1.286    20.585    0.000    0.000
LGA    E   137_A      E   137_A    22.866     4    0.112   0.113    24.526    0.000    0.000
LGA    L   138_A      L   138_A    23.620     3    0.091   0.093    24.009    0.000    0.000
LGA    Y   139_A      Y   139_A    20.467     0    0.050   1.248    21.400    0.000    0.000
LGA    N   140_A      N   140_A    19.405     0    0.056   0.918    20.526    0.000    0.000
LGA    S   141_A      S   141_A    23.184     0    0.268   0.275    25.518    0.000    0.000
LGA    Q   142_A      Q   142_A    22.869     4    0.310   0.312    23.097    0.000    0.000
LGA    N   143_A      N   143_A    19.285     3    0.579   0.530    20.760    0.000    0.000
LGA    H   147_A      H   147_A    19.227     0    0.078   1.424    26.785    0.000    0.000
LGA    L   148_A      L   148_A    16.510     0    0.594   1.328    18.123    0.000    0.000
LGA    S   149_A      S   149_A    18.800     0    0.602   0.534    19.488    0.000    0.000
LGA    I   150_A      I   150_A    20.947     0    0.017   1.288    26.803    0.000    0.000
LGA    E   151_A      E   151_A    16.550     0    0.049   1.145    19.454    0.000    0.000
LGA    K   152_A      K   152_A    10.289     0    0.018   0.798    12.722    0.714    0.476
LGA    L   153_A      L   153_A    13.540     0    0.041   1.411    19.213    0.000    0.000
LGA    I   154_A      I   154_A    13.473     0    0.075   0.699    20.244    0.000    0.000
LGA    A   155_A      A   155_A     7.772     0    0.064   0.058     9.884   17.738   16.190
LGA    G   156_A      G   156_A     4.457     0    0.173   0.173     5.349   30.238   30.238
LGA    L   157_A      L   157_A     7.384     0    0.097   0.138    15.020   15.833    7.917
LGA    A   158_A      A   158_A     6.974     0    0.760   0.688     9.269   17.500   14.286
LGA    V   159_A      V   159_A     3.035     0    0.107   1.184     4.779   52.381   45.034
LGA    R   160_A      R   160_A     3.239     0    0.368   1.692    12.373   54.643   23.680
LGA    R   161_A      R   161_A     3.313     0    0.472   1.159    11.807   59.286   27.013
LGA    K   162_A      K   162_A     2.466     0    0.136   0.388     6.111   62.857   48.042
LGA    V   163_A      V   163_A     1.415     0    0.057   0.156     1.922   81.548   77.823
LGA    C   164_A      C   164_A     1.673     0    0.025   0.034     2.666   77.143   71.746
LGA    K   165_A      K   165_A     0.889     0    0.055   1.237     8.329   90.595   59.259
LGA    L   166_A      L   166_A     0.693     0    0.092   0.868     3.515   95.238   81.667
LGA    V   167_A      V   167_A     0.926     0    0.055   0.118     2.159   83.810   77.959
LGA    Q   168_A      Q   168_A     1.496     0    0.056   1.277     4.738   75.119   67.566
LGA    D   169_A      D   169_A     1.917     0    0.211   0.359     2.228   72.857   69.821
LGA    G   170_A      G   170_A     2.038     0    0.103   0.103     2.193   66.786   66.786
LGA    H   171_A      H   171_A     2.797     0    0.315   1.033     4.290   52.262   56.095
LGA    I   172_A      I   172_A     4.421     0    0.324   0.739     8.726   46.905   27.083
LGA    D   173_A      D   173_A     0.417     0    0.122   1.149     3.932   81.786   66.964
LGA    E   174_A      E   174_A     5.159     4    0.074   0.070     7.187   31.786   15.238
LGA    T   175_A      T   175_A     5.374     0    0.037   0.199     7.956   34.524   23.673
LGA    V   176_A      V   176_A     2.003     0    0.135   0.228     4.007   75.357   62.721
LGA    Y   177_A      Y   177_A     2.772     7    0.000   0.000     4.311   63.214   24.167
LGA    R   178_A      R   178_A     4.036     0    0.048   0.668    10.613   46.786   20.952
LGA    A   179_A      A   179_A     2.973     0    0.076   0.079     4.281   62.976   57.810
LGA    L   180_A      L   180_A     2.966     0    0.057   1.423     7.679   59.286   44.524
LGA    D   181_A      D   181_A     3.512     0    0.045   1.162     9.012   57.500   36.012
LGA    E   182_A      E   182_A     2.520     0    0.039   0.200     8.146   68.929   40.265
LGA    M   183_A      M   183_A     3.869     0    0.079   0.208     7.274   47.143   32.440
LGA    A   184_A      A   184_A     4.639     0    0.000   0.000     6.182   37.381   33.333
LGA    A   185_A      A   185_A     3.098     0    0.243   0.269     4.195   59.286   54.857
LGA    G   186_A      G   186_A     2.170     0    0.556   0.556     4.127   62.381   62.381
LGA    A   187_A      A   187_A     3.655     0    0.294   0.357     4.602   40.833   40.095

# 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):    13.616         13.521                 14.254           14.980   11.841

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  187  126    4.0     26    2.69    21.230    18.857     0.931

LGA_LOCAL      RMSD:   2.693  Number of atoms:   26  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  29.768  Number of assigned atoms:  126 
Std_ASGN_ATOMS RMSD:  13.616  Standard rmsd on all 126 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.711577 * X  +  -0.699428 * Y  +  -0.066774 * Z  + 109.778748
  Y_new =  -0.700083 * X  +  -0.713861 * Y  +   0.016947 * Z  + 370.050964
  Z_new =  -0.059521 * X  +   0.034688 * Y  +  -0.997624 * Z  + 368.882660 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.777256  0.059556  3.106836   [DEG:  -44.5335    3.4123  178.0086 ]
ZXZ: -1.819345  3.072647 -1.043125   [DEG: -104.2408  176.0497  -59.7666 ]
 
# END of job
