
#######################################################
#                                                     #
#                        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  132 ( 1005),  selected  132 , name one
# Molecule2: number of CA atoms  239 ( 1855),  selected  132 , 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:    73     123_A - 195_A       5.00    12.64
  LONGEST_CONTINUOUS_SEGMENT:    73     124_A - 196_A       4.67    12.55
  LCS_AVERAGE:     23.06

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    31      67_A - 97_A        1.87    12.35
  LCS_AVERAGE:      7.26

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    18      68_A - 85_A        0.95    12.37
  LONGEST_CONTINUOUS_SEGMENT:    18      69_A - 86_A        0.93    12.38
  LCS_AVERAGE:      3.50

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  132
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     T    65_A     T    65_A      4   21   37      3   21   37   48   62   70   77   82   85   87   88   93   96   99  101  102  103  103  105  107 
LCS_GDT     T    66_A     T    66_A      4   21   37      3    3    7   11   26   45   56   70   79   85   88   93   96   99  101  102  103  103  105  107 
LCS_GDT     G    67_A     G    67_A      4   31   37      3   10   26   42   47   57   73   80   85   87   88   93   96   99  101  102  103  103  105  107 
LCS_GDT     R    68_A     R    68_A     18   31   37      9   27   38   51   63   70   77   82   85   87   88   93   96   99  101  102  103  103  105  107 
LCS_GDT     A    69_A     A    69_A     18   31   37     17   27   41   51   63   70   77   82   85   87   88   93   96   99  101  102  103  103  105  107 
LCS_GDT     L    70_A     L    70_A     18   31   37     17   27   41   51   63   70   77   82   85   87   88   93   96   99  101  102  103  103  105  107 
LCS_GDT     D    71_A     D    71_A     18   31   37     17   27   41   51   63   70   77   82   85   87   88   93   96   99  101  102  103  103  105  107 
LCS_GDT     L    72_A     L    72_A     18   31   37     17   27   41   51   63   70   77   82   85   87   88   93   96   99  101  102  103  103  105  107 
LCS_GDT     G    73_A     G    73_A     18   31   37      7   27   41   51   63   70   77   82   85   87   88   93   96   99  101  102  103  103  105  107 
LCS_GDT     C    74_A     C    74_A     18   31   37      5   27   41   51   63   70   77   82   85   87   88   93   96   99  101  102  103  103  105  107 
LCS_GDT     A    75_A     A    75_A     18   31   37      7   26   41   51   63   70   77   82   85   87   88   93   96   99  101  102  103  103  105  107 
LCS_GDT     V    76_A     V    76_A     18   31   37      5   25   41   51   63   70   77   82   85   87   88   93   96   99  101  102  103  103  105  107 
LCS_GDT     G    77_A     G    77_A     18   31   37     10   26   41   51   63   70   77   82   85   87   88   93   96   99  101  102  103  103  105  107 
LCS_GDT     R    78_A     R    78_A     18   31   37      9   26   41   51   63   70   77   82   85   87   88   92   96   99  101  102  103  103  105  107 
LCS_GDT     S    79_A     S    79_A     18   31   37     12   27   41   51   63   70   77   82   85   87   88   93   96   99  101  102  103  103  105  107 
LCS_GDT     S    80_A     S    80_A     18   31   37      9   26   41   51   63   70   77   82   85   87   88   93   96   99  101  102  103  103  105  107 
LCS_GDT     F    81_A     F    81_A     18   31   37      9   22   41   51   63   70   77   82   85   87   88   92   96   99  101  102  103  103  105  107 
LCS_GDT     E    82_A     E    82_A     18   31   37      9   26   41   51   63   70   77   82   85   87   88   93   96   99  101  102  103  103  105  107 
LCS_GDT     L    83_A     L    83_A     18   31   37      9   22   41   51   63   70   77   82   85   87   88   93   96   99  101  102  103  103  105  107 
LCS_GDT     A    84_A     A    84_A     18   31   37      9   19   39   51   63   70   77   82   85   87   88   93   96   99  101  102  103  103  105  107 
LCS_GDT     R    85_A     R    85_A     18   31   37      5   18   33   50   63   70   77   82   85   87   88   92   96   99  101  102  103  103  105  107 
LCS_GDT     R    86_A     R    86_A     18   31   37      5   14   31   46   60   69   77   82   85   87   88   92   95   99  101  102  103  103  105  107 
LCS_GDT     F    87_A     F    87_A     16   31   37      3    5   11   20   54   64   74   82   85   87   88   92   95   99  101  102  103  103  105  107 
LCS_GDT     D    88_A     D    88_A      7   31   37      3    9   17   35   52   65   74   82   85   87   88   92   93   99  101  102  103  103  105  107 
LCS_GDT     E    89_A     E    89_A      8   31   37      7   25   41   51   63   70   77   82   85   87   88   93   96   99  101  102  103  103  105  107 
LCS_GDT     V    90_A     V    90_A      8   31   37      9   27   41   51   63   70   77   82   85   87   88   93   96   99  101  102  103  103  105  107 
LCS_GDT     I    91_A     I    91_A      8   31   37     17   27   41   51   63   70   77   82   85   87   88   93   96   99  101  102  103  103  105  107 
LCS_GDT     G    92_A     G    92_A      8   31   37     17   27   41   51   63   70   77   82   85   87   88   93   96   99  101  102  103  103  105  107 
LCS_GDT     I    93_A     I    93_A      8   31   37     17   27   41   51   63   70   77   82   85   87   88   93   96   99  101  102  103  103  105  107 
LCS_GDT     D    94_A     D    94_A      8   31   37     17   27   41   51   63   70   77   82   85   87   88   93   96   99  101  102  103  103  105  107 
LCS_GDT     L    95_A     L    95_A      8   31   37      5   27   41   51   63   70   77   82   85   87   88   93   96   99  101  102  103  103  105  107 
LCS_GDT     S    96_A     S    96_A      8   31   37      4   18   38   51   63   70   77   82   85   87   88   93   96   99  101  102  103  103  105  107 
LCS_GDT     R    97_A     R    97_A      3   31   37      3    4    5   13   23   60   70   78   85   87   88   92   95   99  101  102  103  103  105  107 
LCS_GDT     R    98_A     R    98_A      3    4   37      3    4    7   14   26   34   52   61   71   78   83   89   90   92   98  100  103  103  105  107 
LCS_GDT     F    99_A     F    99_A      3    4   37      1    3    4    6   13   21   25   37   49   62   69   80   85   87   92   96  101  103  105  107 
LCS_GDT     I   100_A     I   100_A      3    4   37      1    3    4    4    5    6    8   12   18   22   35   43   56   72   80   84   89   93  101  102 
LCS_GDT     D   101_A     D   101_A      3    4   37      1    3    4    4    5    7    8   11   12   16   19   26   32   38   41   46   55   60   68   85 
LCS_GDT     S   102_A     S   102_A      3    4   24      1    3    5    6    8   11   11   12   15   18   21   24   26   38   41   42   46   53   58   72 
LCS_GDT     A   103_A     A   103_A      6    7   24      5    5    5    6    8   11   11   12   15   18   20   21   23   24   28   30   32   34   38   41 
LCS_GDT     T   104_A     T   104_A      6    7   24      5    5    5    6    8   11   11   12   15   18   20   20   22   23   26   27   30   32   35   38 
LCS_GDT     R   105_A     R   105_A      6    7   24      5    5    5    6    7   10   11   12   15   18   20   20   23   23   26   27   30   34   37   41 
LCS_GDT     L   106_A     L   106_A      6    7   24      5    5    5    6    7   10   11   12   15   18   20   21   23   24   28   30   35   37   38   42 
LCS_GDT     A   107_A     A   107_A      6    7   24      5    5    5    6    8   11   11   12   15   18   20   21   23   24   28   30   32   34   38   41 
LCS_GDT     E   108_A     E   108_A      6    7   24      3    4    5    6    8   11   11   12   15   18   20   21   23   24   28   30   32   34   38   41 
LCS_GDT     Q   109_A     Q   109_A      5    7   24      3    4    5    6    8   11   11   12   15   18   20   20   22   24   28   30   35   37   38   42 
LCS_GDT     G   110_A     G   110_A      5    7   24      3    4    5    6    8   11   11   12   15   18   20   20   22   23   25   26   35   37   38   42 
LCS_GDT     Q   111_A     Q   111_A      5    7   24      3    4    5    6    8   11   11   12   15   18   20   20   26   28   32   38   41   49   60   72 
LCS_GDT     L   112_A     L   112_A      5    7   24      3    4    5    6    8   11   11   14   15   18   21   24   32   38   41   42   55   60   68   72 
LCS_GDT     Q   113_A     Q   113_A      5    7   24      3    3    5    6    7   11   11   14   15   21   21   26   32   38   42   46   48   60   68   72 
LCS_GDT     Y   114_A     Y   114_A      3    7   24      3    3    4    6    8   11   11   12   14   25   30   39   44   49   56   67   75   79   91   96 
LCS_GDT     Q   115_A     Q   115_A      3    6   24      3    3    4    6    6    7    9   12   15   18   20   20   22   48   51   67   83   89   93  100 
LCS_GDT     V   116_A     V   116_A      4    6   24      3    4    4    6    7   10   11   11   12   13   20   20   44   59   72   82   92  100  105  107 
LCS_GDT     T   117_A     T   117_A      4    6   24      3    4    4    6    6   10   11   12   16   18   20   20   37   60   78   86   96  102  105  107 
LCS_GDT     L   118_A     L   118_A      5    6   24      3    5    5    6    7   10   11   12   16   18   20   20   22   23   36   55   73   82   95  105 
LCS_GDT     E   119_A     E   119_A      5    6   24      4    5    5    6    7   10   11   12   15   18   20   20   22   23   32   47   69   86   94   99 
LCS_GDT     G   120_A     G   120_A      5    6   24      4    5    5    6    7   10   11   12   15   18   20   20   22   23   25   35   37   47   68   87 
LCS_GDT     E   121_A     E   121_A      5    6   24      4    5    5    5    7    8   11   12   15   18   20   20   22   23   25   25   25   26   26   49 
LCS_GDT     L   122_A     L   122_A      5    6   24      4    5    5    5    7   10   11   12   15   18   20   20   22   23   25   25   25   26   26   30 
LCS_GDT     I   123_A     I   123_A      5    6   73      3    4    5    5    6    6    9   10   11   13   15   19   22   23   25   25   25   26   30   49 
LCS_GDT     E   124_A     E   124_A      3    3   73      0    3    3    3    3    4    6    8   10   10   12   13   16   19   27   35   37   40   62   84 
LCS_GDT     R   125_A     R   125_A      3    3   73      1    3    3    3    3    4    5    9   12   15   18   19   55   66   81   89  100  103  104  107 
LCS_GDT     R   126_A     R   126_A      3    3   73      0    3    3    3    3    4    7   12   16   16   18   19   26   60   70   84   94  103  104  107 
LCS_GDT     T   127_A     T   127_A      3    3   73      3    3    3    3    5    6   11   12   16   16   18   46   57   72   84   91  100  103  104  107 
LCS_GDT     A   128_A     A   128_A      3    3   73      3    3    7   14   21   28   41   57   72   82   87   93   96   99  101  102  103  103  105  107 
LCS_GDT     D   129_A     D   129_A      6    6   73      6    6    7    9   21   34   51   69   79   85   88   93   96   99  101  102  103  103  105  107 
LCS_GDT     L   130_A     L   130_A      6    6   73      6    6    7    7   21   32   47   63   78   85   88   93   96   99  101  102  103  103  105  107 
LCS_GDT     A   131_A     A   131_A      6    6   73      6    6    7   11   17   24   35   46   57   70   87   90   96   99  101  102  103  103  105  107 
LCS_GDT     A   132_A     A   132_A      6    6   73      6    6    7   11   17   27   40   56   72   82   87   93   96   99  101  102  103  103  105  107 
LCS_GDT     L   133_A     L   133_A      6    6   73      6    6    8   14   21   34   50   63   75   82   88   93   96   99  101  102  103  103  105  107 
LCS_GDT     E   134_A     E   134_A      6    6   73      6    6    7    9   12   26   39   57   72   82   87   93   96   99  101  102  103  103  105  107 
LCS_GDT     L   135_A     L   135_A      4    5   73      3    3    5   13   17   23   35   49   69   82   87   93   96   99  101  102  103  103  105  107 
LCS_GDT     S   136_A     S   136_A      4    5   73      3    3   11   12   19   25   31   49   66   79   87   93   96   99  101  102  103  103  105  107 
LCS_GDT     N   137_A     N   137_A      4   10   73      3    3    8   16   21   32   39   57   72   82   87   93   96   99  101  102  103  103  105  107 
LCS_GDT     T   138_A     T   138_A      4   10   73      3    6    8   15   17   25   37   57   71   82   87   93   96   99  101  102  103  103  105  107 
LCS_GDT     A   139_A     A   139_A      4   10   73      3    3    8   15   19   27   41   57   72   82   87   93   96   99  101  102  103  103  105  107 
LCS_GDT     G   140_A     G   140_A      5   12   73      3    7   15   23   29   40   55   69   80   85   88   93   96   99  101  102  103  103  105  107 
LCS_GDT     R   141_A     R   141_A      6   12   73      5   14   23   35   52   66   76   82   85   87   88   93   96   99  101  102  103  103  105  107 
LCS_GDT     T   142_A     T   142_A      6   12   73      9   22   37   51   63   70   77   82   85   87   88   93   96   99  101  102  103  103  105  107 
LCS_GDT     R   143_A     R   143_A      6   12   73      9   27   38   51   63   70   77   82   85   87   88   93   96   99  101  102  103  103  105  107 
LCS_GDT     F   144_A     F   144_A      6   12   73     13   27   41   51   63   70   77   82   85   87   88   93   96   99  101  102  103  103  105  107 
LCS_GDT     Q   145_A     Q   145_A      6   12   73      6   25   38   51   63   70   77   82   85   87   88   93   96   99  101  102  103  103  105  107 
LCS_GDT     V   146_A     V   146_A      6   12   73     10   27   41   51   63   70   77   82   85   87   88   93   96   99  101  102  103  103  105  107 
LCS_GDT     G   147_A     G   147_A      6   12   73      6    6   17   41   54   68   77   82   85   87   88   93   96   99  101  102  103  103  105  107 
LCS_GDT     D   148_A     D   148_A      6   12   73      6   12   37   48   63   70   77   82   85   87   88   93   96   99  101  102  103  103  105  107 
LCS_GDT     A   149_A     A   149_A      6   12   73      6   14   31   50   63   70   77   82   85   87   88   93   96   99  101  102  103  103  105  107 
LCS_GDT     C   150_A     C   150_A      6   12   73      6   16   31   46   63   70   77   82   85   87   88   93   96   99  101  102  103  103  105  107 
LCS_GDT     A   151_A     A   151_A      6   12   73      6   14   21   41   57   70   77   82   85   87   88   93   96   99  101  102  103  103  105  107 
LCS_GDT     L   152_A     L   152_A      6   12   73      6    9   18   34   48   62   77   82   85   87   88   93   96   99  101  102  103  103  105  107 
LCS_GDT     D   153_A     D   153_A      3   13   73      3    3    3   31   52   65   73   82   85   87   88   93   96   99  101  102  103  103  105  107 
LCS_GDT     D   154_A     D   154_A      3   16   73      3    3    7   45   59   70   77   82   85   87   88   93   96   99  101  102  103  103  105  107 
LCS_GDT     T   155_A     T   155_A      4   16   73      3   14   23   44   51   69   76   82   85   87   88   93   96   99  101  102  103  103  105  107 
LCS_GDT     L   156_A     L   156_A     10   16   73      7   18   38   51   63   70   77   82   85   87   88   93   96   99  101  102  103  103  105  107 
LCS_GDT     G   157_A     G   157_A     10   16   73      7   17   34   51   63   70   77   82   85   87   88   93   96   99  101  102  103  103  105  107 
LCS_GDT     R   158_A     R   158_A     10   16   73      3    6   30   47   63   70   77   82   85   87   88   93   96   99  101  102  103  103  105  107 
LCS_GDT     F   159_A     F   159_A     10   16   73      6   27   41   51   63   70   77   82   85   87   88   93   96   99  101  102  103  103  105  107 
LCS_GDT     D   160_A     D   160_A     10   16   73     17   27   41   51   63   70   77   82   85   87   88   93   96   99  101  102  103  103  105  107 
LCS_GDT     L   161_A     L   161_A     10   16   73     17   27   41   51   63   70   77   82   85   87   88   93   96   99  101  102  103  103  105  107 
LCS_GDT     I   162_A     I   162_A     10   16   73     17   27   41   51   63   70   77   82   85   87   88   93   96   99  101  102  103  103  105  107 
LCS_GDT     F   163_A     F   163_A     10   16   73     17   27   41   51   63   70   77   82   85   87   88   93   96   99  101  102  103  103  105  107 
LCS_GDT     A   164_A     A   164_A     10   16   73      8   25   41   51   63   70   77   82   85   87   88   93   96   99  101  102  103  103  105  107 
LCS_GDT     G   165_A     G   165_A     10   16   73      6   22   41   51   63   70   77   82   85   87   88   93   96   99  101  102  103  103  105  107 
LCS_GDT     N   166_A     N   166_A      4   16   73      3    6   18   34   56   70   77   82   85   87   88   93   96   99  101  102  103  103  105  107 
LCS_GDT     L   167_A     L   167_A      4   16   73      3    5   18   35   57   70   77   82   85   87   88   93   96   99  101  102  103  103  105  107 
LCS_GDT     I   168_A     I   168_A      4   16   73      3    5   15   30   51   70   77   82   85   87   88   93   96   99  101  102  103  103  105  107 
LCS_GDT     D   169_A     D   169_A      4   16   73      3    8   16   35   62   70   77   82   85   87   88   93   96   99  101  102  103  103  105  107 
LCS_GDT     R   170_A     R   170_A      4   16   73      4   21   38   51   63   70   77   82   85   87   88   93   96   99  101  102  103  103  105  107 
LCS_GDT     L   171_A     L   171_A      4    8   73      7   10   22   38   49   63   72   79   85   87   88   93   96   99  101  102  103  103  105  107 
LCS_GDT     P   172_A     P   172_A      4   24   73      3   12   22   38   55   66   76   82   85   87   88   93   96   99  101  102  103  103  105  107 
LCS_GDT     D   173_A     D   173_A     11   24   73      6    8   12   16   23   43   70   82   85   87   88   93   96   99  101  102  103  103  105  107 
LCS_GDT     P   174_A     P   174_A     11   24   73      6    8   12   16   33   69   77   82   85   87   88   93   96   99  101  102  103  103  105  107 
LCS_GDT     A   175_A     A   175_A     11   24   73      6    8   16   48   63   70   77   82   85   87   88   93   96   99  101  102  103  103  105  107 
LCS_GDT     A   176_A     A   176_A     11   24   73      6    8   31   51   63   70   77   82   85   87   88   93   96   99  101  102  103  103  105  107 
LCS_GDT     F   177_A     F   177_A     11   24   73      6   17   24   50   63   70   77   82   85   87   88   93   96   99  101  102  103  103  105  107 
LCS_GDT     L   178_A     L   178_A     11   24   73      6   18   38   51   63   70   77   82   85   87   88   93   96   99  101  102  103  103  105  107 
LCS_GDT     A   179_A     A   179_A     11   24   73      7   26   41   51   63   70   77   82   85   87   88   93   96   99  101  102  103  103  105  107 
LCS_GDT     Q   180_A     Q   180_A     11   24   73      7   19   39   51   63   70   77   82   85   87   88   93   96   99  101  102  103  103  105  107 
LCS_GDT     L   181_A     L   181_A     11   24   73      4   13   33   44   59   70   77   82   85   87   88   93   96   99  101  102  103  103  105  107 
LCS_GDT     P   182_A     P   182_A     11   24   73      4   20   41   51   63   70   77   82   85   87   88   93   96   99  101  102  103  103  105  107 
LCS_GDT     A   183_A     A   183_A     11   24   73      4    8   32   51   63   70   77   82   85   87   88   93   96   99  101  102  103  103  105  107 
LCS_GDT     L   184_A     L   184_A     10   24   73      4    7   12   26   56   69   77   82   85   87   88   93   96   99  101  102  103  103  105  107 
LCS_GDT     V   185_A     V   185_A     11   24   73      4    8   24   48   63   70   77   82   85   87   88   93   96   99  101  102  103  103  105  107 
LCS_GDT     R   186_A     R   186_A     11   24   73      4   14   23   46   62   70   77   82   85   87   88   93   96   99  101  102  103  103  105  107 
LCS_GDT     P   187_A     P   187_A     11   24   73      5   14   34   47   63   70   77   82   85   87   88   93   96   99  101  102  103  103  105  107 
LCS_GDT     G   188_A     G   188_A     11   24   73      9   27   41   51   63   70   77   82   85   87   88   93   96   99  101  102  103  103  105  107 
LCS_GDT     G   189_A     G   189_A     11   24   73     17   27   41   51   63   70   77   82   85   87   88   93   96   99  101  102  103  103  105  107 
LCS_GDT     L   190_A     L   190_A     11   24   73     17   27   41   51   63   70   77   82   85   87   88   93   96   99  101  102  103  103  105  107 
LCS_GDT     L   191_A     L   191_A     11   24   73     17   27   41   51   63   70   77   82   85   87   88   93   96   99  101  102  103  103  105  107 
LCS_GDT     M   192_A     M   192_A     11   24   73     17   27   41   51   63   70   77   82   85   87   88   93   96   99  101  102  103  103  105  107 
LCS_GDT     I   193_A     I   193_A     11   24   73     17   27   41   51   63   70   77   82   85   87   88   93   96   99  101  102  103  103  105  107 
LCS_GDT     T   194_A     T   194_A     11   24   73      7   27   41   51   63   70   77   82   85   87   88   93   96   99  101  102  103  103  105  107 
LCS_GDT     S   195_A     S   195_A     11   24   73      6   25   41   51   63   70   77   82   85   87   88   93   96   99  101  102  103  103  105  107 
LCS_GDT     P   196_A     P   196_A      3   12   73      1    7   14   21   34   47   64   75   80   87   88   92   95   97  101  102  103  103  105  107 
LCS_AVERAGE  LCS_A:  11.27  (   3.50    7.26   23.06 )

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     17     27     41     51     63     70     77     82     85     87     88     93     96     99    101    102    103    103    105    107 
GDT PERCENT_AT   7.11  11.30  17.15  21.34  26.36  29.29  32.22  34.31  35.56  36.40  36.82  38.91  40.17  41.42  42.26  42.68  43.10  43.10  43.93  44.77
GDT RMS_LOCAL    0.36   0.62   0.95   1.21   1.51   1.77   1.96   2.12   2.27   2.37   2.45   3.62   3.68   3.80   3.90   3.96   4.06   4.06   4.39   4.72
GDT RMS_ALL_AT  12.16  12.18  12.33  12.31  12.28  12.40  12.40  12.37  12.36  12.32  12.31  12.35  12.31  12.28  12.24  12.20  12.15  12.15  12.01  11.93

# Checking swapping
#   possible swapping detected:  F    81_A      F    81_A
#   possible swapping detected:  E    82_A      E    82_A
#   possible swapping detected:  F    87_A      F    87_A
#   possible swapping detected:  D    88_A      D    88_A
#   possible swapping detected:  F    99_A      F    99_A
#   possible swapping detected:  E   119_A      E   119_A
#   possible swapping detected:  D   129_A      D   129_A
#   possible swapping detected:  D   153_A      D   153_A
#   possible swapping detected:  D   154_A      D   154_A
#   possible swapping detected:  F   159_A      F   159_A
#   possible swapping detected:  D   173_A      D   173_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    T    65_A      T    65_A     2.890     0    0.042   0.976     5.709   60.238   48.095
LGA    T    66_A      T    66_A     6.887     0    0.431   0.455    10.846   12.738    7.347
LGA    G    67_A      G    67_A     5.012     0    0.505   0.505     5.012   37.738   37.738
LGA    R    68_A      R    68_A     2.032     0    0.110   0.915     3.367   65.119   66.623
LGA    A    69_A      A    69_A     0.530     0    0.055   0.072     0.945   90.476   92.381
LGA    L    70_A      L    70_A     0.558     0    0.028   0.797     1.933   90.476   88.452
LGA    D    71_A      D    71_A     0.986     0    0.111   0.315     2.197   90.476   80.714
LGA    L    72_A      L    72_A     0.769     0    0.119   1.414     4.550   88.214   71.012
LGA    G    73_A      G    73_A     0.552     0    0.451   0.451     2.115   86.429   86.429
LGA    C    74_A      C    74_A     1.002     0    0.104   0.766     1.592   81.429   80.000
LGA    A    75_A      A    75_A     1.427     0    0.066   0.077     1.745   77.143   78.000
LGA    V    76_A      V    76_A     1.636     0    0.097   0.119     2.764   79.405   74.354
LGA    G    77_A      G    77_A     0.829     0    0.176   0.176     1.252   88.214   88.214
LGA    R    78_A      R    78_A     1.088     0    0.042   1.146     9.279   88.214   51.688
LGA    S    79_A      S    79_A     0.345     0    0.053   0.573     2.251   95.238   89.365
LGA    S    80_A      S    80_A     0.850     0    0.025   0.628     2.934   88.333   83.492
LGA    F    81_A      F    81_A     1.274     0    0.049   1.232     7.060   81.429   53.506
LGA    E    82_A      E    82_A     0.578     0    0.054   0.981     4.443   88.214   71.905
LGA    L    83_A      L    83_A     1.250     0    0.064   0.166     1.767   81.548   81.488
LGA    A    84_A      A    84_A     1.650     0    0.126   0.144     1.879   75.000   74.571
LGA    R    85_A      R    85_A     2.358     3    0.040   0.068     3.542   64.762   42.424
LGA    R    86_A      R    86_A     2.788     6    0.068   0.075     3.324   57.262   26.017
LGA    F    87_A      F    87_A     3.861     0    0.627   0.545    12.624   57.738   23.247
LGA    D    88_A      D    88_A     3.723     0    0.616   1.207     8.052   46.667   28.571
LGA    E    89_A      E    89_A     1.467     0    0.081   0.753     4.769   77.143   64.180
LGA    V    90_A      V    90_A     0.844     0    0.061   1.187     3.815   88.214   76.395
LGA    I    91_A      I    91_A     1.028     0    0.016   0.080     1.478   88.214   84.821
LGA    G    92_A      G    92_A     0.934     0    0.024   0.024     1.138   83.690   83.690
LGA    I    93_A      I    93_A     1.050     0    0.027   0.126     2.371   88.214   81.667
LGA    D    94_A      D    94_A     0.560     0    0.043   0.210     0.689   95.238   92.857
LGA    L    95_A      L    95_A     1.051     1    0.072   0.236     3.008   81.548   65.298
LGA    S    96_A      S    96_A     1.860     0    0.527   0.699     3.346   67.262   62.698
LGA    R    97_A      R    97_A     5.855     0    0.466   1.121     9.220   19.048   14.372
LGA    R    98_A      R    98_A     9.023     0    0.523   1.379    11.118    2.857    2.814
LGA    F    99_A      F    99_A    11.576     0    0.595   1.341    14.510    0.000    0.563
LGA    I   100_A      I   100_A    15.272     0    0.576   1.579    19.268    0.000    0.000
LGA    D   101_A      D   101_A    21.705     0    0.604   0.707    23.963    0.000    0.000
LGA    S   102_A      S   102_A    24.167     0    0.594   0.907    28.097    0.000    0.000
LGA    A   103_A      A   103_A    27.368     0    0.618   0.605    29.651    0.000    0.000
LGA    T   104_A      T   104_A    32.929     0    0.016   0.083    36.680    0.000    0.000
LGA    R   105_A      R   105_A    34.837     0    0.173   1.070    43.050    0.000    0.000
LGA    L   106_A      L   106_A    30.944     0    0.136   1.364    32.382    0.000    0.000
LGA    A   107_A      A   107_A    34.010     0    0.400   0.381    38.278    0.000    0.000
LGA    E   108_A      E   108_A    38.094     0    0.041   0.691    40.607    0.000    0.000
LGA    Q   109_A      Q   109_A    36.627     1    0.676   0.647    39.797    0.000    0.000
LGA    G   110_A      G   110_A    34.060     0    0.014   0.014    34.510    0.000    0.000
LGA    Q   111_A      Q   111_A    28.374     0    0.285   1.066    30.401    0.000    0.000
LGA    L   112_A      L   112_A    26.839     0    0.020   1.013    27.626    0.000    0.000
LGA    Q   113_A      Q   113_A    25.000     0    0.100   1.178    34.228    0.000    0.000
LGA    Y   114_A      Y   114_A    19.614     0    0.265   1.363    24.741    0.000    0.000
LGA    Q   115_A      Q   115_A    17.145     0    0.041   0.864    20.107    0.000    0.000
LGA    V   116_A      V   116_A    13.912     0    0.566   1.390    16.265    0.000    0.000
LGA    T   117_A      T   117_A    14.399     0    0.038   0.830    14.772    0.000    0.000
LGA    L   118_A      L   118_A    17.511     0    0.532   1.259    20.039    0.000    0.000
LGA    E   119_A      E   119_A    19.452     0    0.125   1.078    24.357    0.000    0.000
LGA    G   120_A      G   120_A    21.278     0    0.318   0.318    21.278    0.000    0.000
LGA    E   121_A      E   121_A    22.548     0    0.033   0.173    23.251    0.000    0.000
LGA    L   122_A      L   122_A    22.534     0    0.655   1.475    24.482    0.000    0.000
LGA    I   123_A      I   123_A    22.973     0    0.588   0.582    24.920    0.000    0.000
LGA    E   124_A      E   124_A    22.571     0    0.606   1.200    27.096    0.000    0.000
LGA    R   125_A      R   125_A    16.407     0    0.593   1.167    18.641    0.000    0.000
LGA    R   126_A      R   126_A    15.875     0    0.602   1.257    21.429    0.000    0.000
LGA    T   127_A      T   127_A    16.400     0    0.610   0.595    19.332    0.000    0.000
LGA    A   128_A      A   128_A    12.342     0    0.619   0.615    13.230    0.000    0.000
LGA    D   129_A      D   129_A     8.447     0    0.600   1.210     9.739    2.381    2.679
LGA    L   130_A      L   130_A     8.767     0    0.059   0.302    10.240    1.429    5.238
LGA    A   131_A      A   131_A    12.331     0    0.034   0.033    13.526    0.000    0.000
LGA    A   132_A      A   132_A    12.705     0    0.089   0.103    13.591    0.000    0.000
LGA    L   133_A      L   133_A    11.316     0    0.223   0.208    11.952    0.000    0.179
LGA    E   134_A      E   134_A    12.676     0    0.275   0.694    19.443    0.000    0.000
LGA    L   135_A      L   135_A    12.108     0    0.223   0.246    14.335    0.000    0.000
LGA    S   136_A      S   136_A    12.728     0    0.629   0.826    15.776    0.000    0.000
LGA    N   137_A      N   137_A    13.783     0    0.118   0.233    16.415    0.000    0.000
LGA    T   138_A      T   138_A    12.763     0    0.521   0.840    15.370    0.119    0.068
LGA    A   139_A      A   139_A    11.733     0    0.629   0.605    13.225    0.000    0.000
LGA    G   140_A      G   140_A     8.722     0    0.125   0.125     9.353    6.071    6.071
LGA    R   141_A      R   141_A     4.793     0    0.064   1.323     7.297   40.833   26.061
LGA    T   142_A      T   142_A     2.523     0    0.063   0.064     3.509   55.595   54.218
LGA    R   143_A      R   143_A     2.227     0    0.052   0.890     4.478   70.952   55.974
LGA    F   144_A      F   144_A     1.560     0    0.020   1.028     6.773   70.833   48.442
LGA    Q   145_A      Q   145_A     2.166     0    0.118   1.151     4.713   75.119   65.767
LGA    V   146_A      V   146_A     0.593     0    0.088   0.179     2.461   77.381   78.027
LGA    G   147_A      G   147_A     3.299     0    0.053   0.053     3.299   65.238   65.238
LGA    D   148_A      D   148_A     2.444     0    0.063   0.290     3.288   59.167   62.143
LGA    A   149_A      A   149_A     2.190     0    0.029   0.041     3.098   63.095   65.048
LGA    C   150_A      C   150_A     2.389     0    0.122   0.173     2.862   60.952   62.222
LGA    A   151_A      A   151_A     3.114     0    0.494   0.454     3.501   59.286   56.095
LGA    L   152_A      L   152_A     3.714     0    0.670   1.093     9.115   45.238   27.976
LGA    D   153_A      D   153_A     3.793     0    0.081   1.399     8.251   48.452   29.107
LGA    D   154_A      D   154_A     2.697     0    0.642   0.551     5.957   47.143   38.869
LGA    T   155_A      T   155_A     3.903     0    0.465   0.964     7.389   53.690   37.075
LGA    L   156_A      L   156_A     1.591     0    0.108   1.366     3.582   66.905   67.321
LGA    G   157_A      G   157_A     1.718     0    0.094   0.094     2.148   68.810   68.810
LGA    R   158_A      R   158_A     2.251     0    0.108   1.066     6.682   73.095   48.355
LGA    F   159_A      F   159_A     1.503     0    0.145   0.261     2.976   79.286   65.195
LGA    D   160_A      D   160_A     0.857     0    0.159   0.862     3.676   85.952   74.048
LGA    L   161_A      L   161_A     0.455     0    0.078   0.890     2.350   92.857   88.512
LGA    I   162_A      I   162_A     1.057     0    0.100   0.219     2.105   85.952   81.607
LGA    F   163_A      F   163_A     0.779     0    0.029   0.377     1.611   85.952   84.762
LGA    A   164_A      A   164_A     1.410     0    0.016   0.038     1.898   85.952   83.333
LGA    G   165_A      G   165_A     1.174     0    0.182   0.182     2.059   75.119   75.119
LGA    N   166_A      N   166_A     3.549     0    0.573   0.607     6.101   61.667   42.262
LGA    L   167_A      L   167_A     3.543     0    0.070   0.082     5.272   48.810   42.381
LGA    I   168_A      I   168_A     3.508     0    0.132   0.351     5.123   46.667   38.393
LGA    D   169_A      D   169_A     3.323     0    0.195   1.074     4.558   53.690   47.857
LGA    R   170_A      R   170_A     2.341     0    0.576   1.572     7.416   53.929   32.641
LGA    L   171_A      L   171_A     4.790     0    0.608   1.444    10.311   38.810   23.869
LGA    P   172_A      P   172_A     3.732     0    0.165   0.495     5.263   39.048   38.299
LGA    D   173_A      D   173_A     4.531     0    0.547   1.290     9.106   40.476   25.060
LGA    P   174_A      P   174_A     3.894     0    0.072   0.111     5.259   46.905   39.592
LGA    A   175_A      A   175_A     2.303     0    0.016   0.037     2.980   69.048   66.667
LGA    A   176_A      A   176_A     1.785     0    0.066   0.079     2.229   72.976   71.333
LGA    F   177_A      F   177_A     2.383     0    0.055   0.405     5.566   64.762   45.584
LGA    L   178_A      L   178_A     1.770     0    0.051   0.156     2.845   75.119   70.000
LGA    A   179_A      A   179_A     0.842     0    0.099   0.116     1.074   83.690   85.048
LGA    Q   180_A      Q   180_A     1.711     0    0.146   1.324     6.759   70.952   55.714
LGA    L   181_A      L   181_A     2.957     0    0.067   0.125     4.530   57.143   48.810
LGA    P   182_A      P   182_A     1.511     0    0.073   0.141     2.058   75.119   75.374
LGA    A   183_A      A   183_A     2.208     0    0.055   0.051     3.301   61.190   61.905
LGA    L   184_A      L   184_A     3.574     0    0.076   0.177     5.641   50.119   39.583
LGA    V   185_A      V   185_A     2.552     0    0.097   0.151     3.102   59.048   57.211
LGA    R   186_A      R   186_A     2.887     0    0.076   1.090     8.506   62.976   40.996
LGA    P   187_A      P   187_A     2.491     0    0.043   0.083     3.538   62.857   56.395
LGA    G   188_A      G   188_A     1.124     0    0.026   0.026     1.550   83.810   83.810
LGA    G   189_A      G   189_A     1.075     0    0.129   0.129     1.075   88.214   88.214
LGA    L   190_A      L   190_A     0.468     0    0.050   1.391     3.488   92.857   79.524
LGA    L   191_A      L   191_A     0.947     0    0.029   0.133     1.259   90.476   85.952
LGA    M   192_A      M   192_A     0.743     0    0.112   0.983     4.273   88.214   71.726
LGA    I   193_A      I   193_A     0.838     0    0.012   0.226     2.811   88.214   79.702
LGA    T   194_A      T   194_A     1.212     0    0.611   0.723     4.038   70.476   70.476
LGA    S   195_A      S   195_A     1.478     0    0.376   0.692     3.669   73.452   68.333
LGA    P   196_A      P   196_A     6.596     0    0.698   0.620     9.631   18.452   12.245

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      132     528    528  100.00     994    994  100.00               239
SUMMARY(RMSD_GDC):    11.239         11.281                 11.789           25.757   22.692

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  132  239    4.0     82    2.12    27.406    23.925     3.687

LGA_LOCAL      RMSD:   2.124  Number of atoms:   82  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  12.369  Number of assigned atoms:  132 
Std_ASGN_ATOMS RMSD:  11.239  Standard rmsd on all 132 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.720761 * X  +   0.681915 * Y  +  -0.124483 * Z  +  22.160097
  Y_new =  -0.367781 * X  +   0.223975 * Y  +  -0.902537 * Z  + -43.019012
  Z_new =  -0.587572 * X  +   0.696296 * Y  +   0.412227 * Z  +  49.591682 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.471828  0.628055  1.036258   [DEG:  -27.0338   35.9849   59.3732 ]
ZXZ: -0.137061  1.145899 -0.700915   [DEG:   -7.8530   65.6552  -40.1595 ]
 
# END of job
