
#######################################################
#                                                     #
#                        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  184 ( 1441),  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:   104      81_A - 187_A       4.95    13.96
  LCS_AVERAGE:     74.17

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    72     113_A - 187_A       1.88    14.15
  LCS_AVERAGE:     44.39

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    66     118_A - 186_A       0.76    13.90
  LCS_AVERAGE:     37.61

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    6   10      0    3    3    4    7    8    8    8    9    9   10   11   12   13   13   14   15   17   18   22 
LCS_GDT     R    60_A     R    60_A      5    6   10      2    4    5    5    5    6    8    8    9    9    9   11   12   12   13   14   15   17   18   21 
LCS_GDT     V    61_A     V    61_A      5    6   10      3    4    5    5    7    8    8    8    9    9   10   11   12   13   13   14   15   18   20   23 
LCS_GDT     K    62_A     K    62_A      5    6   10      3    4    5    5    7    8    8    8    9    9   10   11   12   13   13   14   17   20   21   23 
LCS_GDT     L    63_A     L    63_A      5    6   21      3    4    5    5    7    8    8    8    9    9   10   11   13   18   21   25   26   28   31   32 
LCS_GDT     R    64_A     R    64_A      5    6   21      3    4    5    5    7    8    8   10   13   18   21   25   25   29   31   32   35   37   44   47 
LCS_GDT     K    65_A     K    65_A      4    9   21      3    3    5    6    7   11   12   13   15   17   19   22   26   29   31   34   35   36   41   47 
LCS_GDT     H    66_A     H    66_A      7    9   46      3    6    7    8    8   11   12   13   15   21   24   26   29   34   39   44   46   46   48   50 
LCS_GDT     L    67_A     L    67_A      7    9   51      3    6    7    8    8   11   12   13   19   23   24   26   31   36   43   45   46   46   48   50 
LCS_GDT     V    68_A     V    68_A      7    9   52      4    6    7    8    8   11   12   13   15   23   24   26   29   35   43   45   46   46   48   50 
LCS_GDT     E    69_A     E    69_A      7    9   58      4    6    7    8    8   11   12   16   19   23   24   29   34   41   43   45   46   47   50   53 
LCS_GDT     I    70_A     I    70_A      7    9   59      4    6    7    8    8   11   12   13   19   23   24   29   34   41   43   47   50   53   60   74 
LCS_GDT     N    71_A     N    71_A      7    9   59      4    6    7    8    8   11   12   16   19   26   29   34   39   48   49   51   54   56   58   59 
LCS_GDT     A    72_A     A    72_A      7    9   59      3    6    7    8    8   11   12   13   19   27   33   46   47   50   51   53   57   63   68   77 
LCS_GDT     D    73_A     D    73_A      7   40   59      3    5    7   13   17   21   26   34   40   46   48   49   50   52   55   57   58   66   68   74 
LCS_GDT     E    74_A     E    74_A      6   44   59      3    4    6    9   35   40   43   43   45   46   48   49   51   52   65   69   73   77   81   85 
LCS_GDT     I    75_A     I    75_A     27   44   59      5    8   21   33   37   40   43   43   45   47   54   61   69   69   76   77   83   90   96  100 
LCS_GDT     T    76_A     T    76_A     28   44   59      5   21   29   33   36   40   43   43   45   46   48   50   57   62   67   75   76   79   85   90 
LCS_GDT     I    77_A     I    77_A     28   44   59      5   21   29   33   36   40   43   43   45   54   59   67   69   74   78   81   85   90   96  100 
LCS_GDT     T    78_A     T    78_A     28   44   59      5   21   29   32   36   40   43   43   45   46   48   50   57   64   70   75   78   84   87   91 
LCS_GDT     L    79_A     L    79_A     28   44   59      5   21   29   33   36   40   43   43   47   56   67   71   73   77   80   82   86   90   96  100 
LCS_GDT     S    80_A     S    80_A     28   44   59      3    9   24   30   35   37   40   42   44   46   48   52   69   70   76   79   82   86   91   95 
LCS_GDT     R    81_A     R    81_A     30   44  104      3   10   26   32   36   37   40   56   62   66   68   74   77   80   83   89   91   94   99  100 
LCS_GDT     Y    82_A     Y    82_A     34   44  104      3   23   29   33   36   40   43   43   44   46   48   49   51   52   55   70   80   86   91   98 
LCS_GDT     T    83_A     T    83_A     35   44  104      5   24   31   34   37   40   43   43   45   46   48   49   51   52   62   79   85   90   97  100 
LCS_GDT     S    84_A     S    84_A     35   44  104      5   24   31   34   37   40   43   43   45   46   48   49   51   52   57   72   75   85   90   94 
LCS_GDT     P    85_A     P    85_A     35   44  104     15   30   33   34   37   40   43   43   45   46   48   51   71   74   77   84   95   97   99  100 
LCS_GDT     E    86_A     E    86_A     35   44  104     15   30   33   34   37   40   43   43   45   46   48   49   51   64   67   72   80   85   90   91 
LCS_GDT     A    87_A     A    87_A     35   44  104     15   30   33   34   37   40   43   43   45   46   48   49   51   64   77   79   80   87   92  100 
LCS_GDT     L    88_A     L    88_A     35   44  104     12   30   33   34   37   40   43   54   70   72   74   81   85   88   94   95   96   97   99  100 
LCS_GDT     E    89_A     E    89_A     35   44  104     13   30   33   34   37   40   43   43   57   68   70   74   79   88   94   95   96   97   99  100 
LCS_GDT     R    90_A     R    90_A     35   44  104     15   30   33   34   37   40   43   43   45   61   67   73   75   76   81   85   94   97   99  100 
LCS_GDT     S    91_A     S    91_A     35   44  104     15   30   33   34   37   40   43   43   45   68   74   80   85   88   94   95   96   97   99  100 
LCS_GDT     I    92_A     I    92_A     35   44  104     13   30   33   57   63   66   69   73   77   78   80   85   87   88   94   95   96   97   99  100 
LCS_GDT     T    93_A     T    93_A     35   44  104     11   30   33   34   37   61   65   68   71   72   79   82   85   88   94   95   96   97   99  100 
LCS_GDT     A    94_A     A    94_A     35   44  104     15   30   33   34   37   40   43   43   45   46   74   80   85   88   94   95   96   97   99  100 
LCS_GDT     L    95_A     L    95_A     35   44  104     15   30   33   48   57   66   69   71   73   74   79   83   87   88   94   95   96   97   99  100 
LCS_GDT     A    96_A     A    96_A     35   44  104     11   30   60   66   67   68   72   75   77   78   83   85   87   88   94   95   96   97   99  100 
LCS_GDT     A    97_A     A    97_A     35   44  104     11   27   33   34   37   45   69   71   73   77   79   83   87   88   94   95   96   97   99  100 
LCS_GDT     M    98_A     M    98_A     35   44  104     11   30   33   34   46   65   66   71   72   74   76   80   85   88   94   95   96   97   99  100 
LCS_GDT     T    99_A     T    99_A     35   44  104     15   30   33   34   37   40   43   70   71   73   76   80   87   88   94   95   96   97   99  100 
LCS_GDT     G   100_A     G   100_A     35   44  104     15   30   33   35   67   68   72   76   77   78   83   85   87   88   94   95   96   97   99  100 
LCS_GDT     H   101_A     H   101_A     35   44  104     15   30   33   34   46   68   73   76   77   80   83   85   87   88   94   95   96   97   99  100 
LCS_GDT     A   102_A     A   102_A     35   44  104     15   30   33   34   58   69   73   76   78   80   83   85   87   88   94   95   96   97   99  100 
LCS_GDT     P   103_A     P   103_A     35   44  104     12   30   33   49   62   67   73   76   78   80   83   85   87   88   94   95   96   97   99  100 
LCS_GDT     S   104_A     S   104_A     35   44  104     12   30   33   34   37   40   43   43   78   80   83   85   86   88   94   95   96   97   99  100 
LCS_GDT     S   105_A     S   105_A     35   44  104     15   30   33   34   37   40   50   67   78   80   83   85   86   88   92   95   96   97   99  100 
LCS_GDT     I   106_A     I   106_A     35   44  104     15   30   33   34   44   69   73   76   78   80   83   85   87   88   94   95   96   97   99  100 
LCS_GDT     K   107_A     K   107_A     35   44  104     15   30   33   34   47   69   73   76   78   80   83   85   87   88   94   95   96   97   99  100 
LCS_GDT     E   108_A     E   108_A     35   44  104     15   30   33   34   37   40   43   60   78   80   83   85   87   88   94   95   96   97   99  100 
LCS_GDT     E   109_A     E   109_A     35   44  104     12   30   33   34   37   40   43   52   70   80   83   85   87   88   94   95   96   97   99  100 
LCS_GDT     C   110_A     C   110_A     35   44  104     12   30   33   34   48   69   73   76   78   80   83   85   87   88   94   95   96   97   99  100 
LCS_GDT     V   111_A     V   111_A     35   44  104     13   30   33   34   40   68   73   76   78   80   83   85   87   88   94   95   96   97   99  100 
LCS_GDT     E   112_A     E   112_A     35   44  104     12   30   33   34   37   40   43   43   63   80   83   85   87   88   94   95   96   97   99  100 
LCS_GDT     L   113_A     L   113_A     35   72  104     12   30   33   34   37   40   43   43   51   76   83   85   87   88   94   95   96   97   99  100 
LCS_GDT     I   114_A     I   114_A     35   72  104     12   30   33   34   67   69   73   76   78   80   83   85   87   88   94   95   96   97   99  100 
LCS_GDT     D   115_A     D   115_A     35   72  104     12   30   33   34   37   40   72   76   78   80   83   85   87   88   94   95   96   97   99  100 
LCS_GDT     K   116_A     K   116_A     35   72  104     12   27   33   34   37   40   43   43   45   58   83   85   87   88   94   95   96   97   99  100 
LCS_GDT     L   117_A     L   117_A     35   72  104      5   26   33   34   37   40   43   43   72   80   83   85   87   88   94   95   96   97   99  100 
LCS_GDT     D   118_A     D   118_A     66   72  104     12   60   65   66   67   69   73   76   78   80   83   85   87   88   94   95   96   97   99  100 
LCS_GDT     W   119_A     W   119_A     66   72  104      3    4    5    8   57   68   73   76   78   80   83   85   87   88   94   95   96   97   99  100 
LCS_GDT     L   120_A     L   120_A     66   72  104     32   62   65   66   67   69   73   76   78   80   83   85   87   88   94   95   96   97   99  100 
LCS_GDT     R   121_A     R   121_A     66   72  104      4   58   65   66   67   69   73   76   78   80   83   85   87   88   94   95   96   97   99  100 
LCS_GDT     V   122_A     V   122_A     66   72  104     20   62   65   66   67   69   73   76   78   80   83   85   87   88   94   95   96   97   99  100 
LCS_GDT     E   123_A     E   123_A     66   72  104     50   62   65   66   67   69   73   76   78   80   83   85   87   88   94   95   96   97   99  100 
LCS_GDT     N   124_A     N   124_A     66   72  104      5   57   65   66   67   69   73   76   78   80   83   85   87   88   94   95   96   97   99  100 
LCS_GDT     D   125_A     D   125_A     66   72  104     25   62   65   66   67   69   73   76   78   80   83   85   87   88   94   95   96   97   99  100 
LCS_GDT     V   126_A     V   126_A     66   72  104     32   62   65   66   67   69   73   76   78   80   83   85   87   88   94   95   96   97   99  100 
LCS_GDT     I   127_A     I   127_A     66   72  104     50   62   65   66   67   69   73   76   78   80   83   85   87   88   94   95   96   97   99  100 
LCS_GDT     Q   128_A     Q   128_A     66   72  104     49   62   65   66   67   69   73   76   78   80   83   85   87   88   94   95   96   97   99  100 
LCS_GDT     Y   129_A     Y   129_A     66   72  104     50   62   65   66   67   69   73   76   78   80   83   85   87   88   94   95   96   97   99  100 
LCS_GDT     P   130_A     P   130_A     66   72  104     50   62   65   66   67   69   73   76   78   80   83   85   87   88   94   95   96   97   99  100 
LCS_GDT     T   131_A     T   131_A     66   72  104     43   62   65   66   67   69   73   76   78   80   83   85   87   88   94   95   96   97   99  100 
LCS_GDT     L   132_A     L   132_A     66   72  104     50   62   65   66   67   69   73   76   78   80   83   85   87   88   94   95   96   97   99  100 
LCS_GDT     S   133_A     S   133_A     66   72  104     50   62   65   66   67   69   73   76   78   80   83   85   87   88   94   95   96   97   99  100 
LCS_GDT     K   134_A     K   134_A     66   72  104     50   62   65   66   67   69   73   76   78   80   83   85   87   88   94   95   96   97   99  100 
LCS_GDT     L   135_A     L   135_A     66   72  104     50   62   65   66   67   69   73   76   78   80   83   85   87   88   94   95   96   97   99  100 
LCS_GDT     L   136_A     L   136_A     66   72  104     50   62   65   66   67   69   73   76   78   80   83   85   87   88   94   95   96   97   99  100 
LCS_GDT     E   137_A     E   137_A     66   72  104     50   62   65   66   67   69   73   76   78   80   83   85   87   88   94   95   96   97   99  100 
LCS_GDT     L   138_A     L   138_A     66   72  104     50   62   65   66   67   69   73   76   78   80   83   85   87   88   94   95   96   97   99  100 
LCS_GDT     Y   139_A     Y   139_A     66   72  104     50   62   65   66   67   69   73   76   78   80   83   85   87   88   94   95   96   97   99  100 
LCS_GDT     N   140_A     N   140_A     66   72  104     50   62   65   66   67   69   73   76   78   80   83   85   87   88   94   95   96   97   99  100 
LCS_GDT     S   141_A     S   141_A     66   72  104     50   62   65   66   67   69   73   76   78   80   83   85   87   88   94   95   96   97   99  100 
LCS_GDT     Q   142_A     Q   142_A     66   72  104     13   62   65   66   67   69   73   76   78   80   83   85   87   88   94   95   96   97   99  100 
LCS_GDT     N   143_A     N   143_A     66   72  104      7   62   65   66   67   69   73   76   78   80   83   85   87   88   94   95   96   97   99  100 
LCS_GDT     H   147_A     H   147_A     66   72  104     50   62   65   66   67   69   73   76   78   80   83   85   87   88   94   95   96   97   99  100 
LCS_GDT     L   148_A     L   148_A     66   72  104     50   62   65   66   67   69   73   76   78   80   83   85   87   88   94   95   96   97   99  100 
LCS_GDT     S   149_A     S   149_A     66   72  104     50   62   65   66   67   69   73   76   78   80   83   85   87   88   94   95   96   97   99  100 
LCS_GDT     I   150_A     I   150_A     66   72  104     50   62   65   66   67   69   73   76   78   80   83   85   87   88   94   95   96   97   99  100 
LCS_GDT     E   151_A     E   151_A     66   72  104     50   62   65   66   67   69   73   76   78   80   83   85   87   88   94   95   96   97   99  100 
LCS_GDT     K   152_A     K   152_A     66   72  104     50   62   65   66   67   69   73   76   78   80   83   85   87   88   94   95   96   97   99  100 
LCS_GDT     L   153_A     L   153_A     66   72  104     50   62   65   66   67   69   73   76   78   80   83   85   87   88   94   95   96   97   99  100 
LCS_GDT     I   154_A     I   154_A     66   72  104     50   62   65   66   67   69   73   76   78   80   83   85   87   88   94   95   96   97   99  100 
LCS_GDT     A   155_A     A   155_A     66   72  104     50   62   65   66   67   69   73   76   78   80   83   85   87   88   94   95   96   97   99  100 
LCS_GDT     G   156_A     G   156_A     66   72  104     50   62   65   66   67   69   73   76   78   80   83   85   87   88   94   95   96   97   99  100 
LCS_GDT     L   157_A     L   157_A     66   72  104     50   62   65   66   67   69   73   76   78   80   83   85   87   88   94   95   96   97   99  100 
LCS_GDT     A   158_A     A   158_A     66   72  104     50   62   65   66   67   69   73   76   78   80   83   85   87   88   94   95   96   97   99  100 
LCS_GDT     V   159_A     V   159_A     66   72  104     50   62   65   66   67   69   73   76   78   80   83   85   87   88   94   95   96   97   99  100 
LCS_GDT     R   160_A     R   160_A     66   72  104     50   62   65   66   67   69   73   76   78   80   83   85   87   88   94   95   96   97   99  100 
LCS_GDT     R   161_A     R   161_A     66   72  104     22   62   65   66   67   69   73   76   78   80   83   85   87   88   94   95   96   97   99  100 
LCS_GDT     K   162_A     K   162_A     66   72  104     27   62   65   66   67   69   73   76   78   80   83   85   87   88   94   95   96   97   99  100 
LCS_GDT     V   163_A     V   163_A     66   72  104     50   62   65   66   67   69   73   76   78   80   83   85   87   88   94   95   96   97   99  100 
LCS_GDT     C   164_A     C   164_A     66   72  104     50   62   65   66   67   69   73   76   78   80   83   85   87   88   94   95   96   97   99  100 
LCS_GDT     K   165_A     K   165_A     66   72  104     50   62   65   66   67   69   73   76   78   80   83   85   87   88   94   95   96   97   99  100 
LCS_GDT     L   166_A     L   166_A     66   72  104     50   62   65   66   67   69   73   76   78   80   83   85   87   88   94   95   96   97   99  100 
LCS_GDT     V   167_A     V   167_A     66   72  104     50   62   65   66   67   69   73   76   78   80   83   85   87   88   94   95   96   97   99  100 
LCS_GDT     Q   168_A     Q   168_A     66   72  104     50   62   65   66   67   69   73   76   78   80   83   85   87   88   94   95   96   97   99  100 
LCS_GDT     D   169_A     D   169_A     66   72  104     50   62   65   66   67   69   73   76   78   80   83   85   87   88   94   95   96   97   99  100 
LCS_GDT     G   170_A     G   170_A     66   72  104     50   62   65   66   67   69   73   76   78   80   83   85   87   88   94   95   96   97   99  100 
LCS_GDT     H   171_A     H   171_A     66   72  104     50   62   65   66   67   69   73   76   78   80   83   85   87   88   94   95   96   97   99  100 
LCS_GDT     I   172_A     I   172_A     66   72  104     50   62   65   66   67   69   73   76   78   80   83   85   87   88   94   95   96   97   99  100 
LCS_GDT     D   173_A     D   173_A     66   72  104     50   62   65   66   67   69   73   76   78   80   83   85   87   88   94   95   96   97   99  100 
LCS_GDT     E   174_A     E   174_A     66   72  104     50   62   65   66   67   69   73   76   78   80   83   85   87   88   94   95   96   97   99  100 
LCS_GDT     T   175_A     T   175_A     66   72  104     42   62   65   66   67   69   73   76   78   80   83   85   87   88   94   95   96   97   99  100 
LCS_GDT     V   176_A     V   176_A     66   72  104     50   62   65   66   67   69   73   76   78   80   83   85   87   88   94   95   96   97   99  100 
LCS_GDT     Y   177_A     Y   177_A     66   72  104     50   62   65   66   67   69   73   76   78   80   83   85   87   88   94   95   96   97   99  100 
LCS_GDT     R   178_A     R   178_A     66   72  104     50   62   65   66   67   69   73   76   78   80   83   85   87   88   94   95   96   97   99  100 
LCS_GDT     A   179_A     A   179_A     66   72  104     47   62   65   66   67   69   73   76   78   80   83   85   87   88   94   95   96   97   99  100 
LCS_GDT     L   180_A     L   180_A     66   72  104     50   62   65   66   67   69   73   76   78   80   83   85   87   88   94   95   96   97   99  100 
LCS_GDT     D   181_A     D   181_A     66   72  104     50   62   65   66   67   69   73   76   78   80   83   85   87   88   94   95   96   97   99  100 
LCS_GDT     E   182_A     E   182_A     66   72  104     50   62   65   66   67   69   73   76   78   80   83   85   87   88   94   95   96   97   99  100 
LCS_GDT     M   183_A     M   183_A     66   72  104     50   62   65   66   67   69   73   76   78   80   83   85   87   88   94   95   96   97   99  100 
LCS_GDT     A   184_A     A   184_A     66   72  104     50   62   65   66   67   69   73   76   78   80   83   85   87   88   94   95   96   97   99  100 
LCS_GDT     A   185_A     A   185_A     66   72  104     50   62   65   66   67   69   73   76   78   80   83   85   87   88   94   95   96   97   99  100 
LCS_GDT     G   186_A     G   186_A     66   72  104     50   62   65   66   67   69   73   76   78   80   83   85   87   88   94   95   96   97   99  100 
LCS_GDT     A   187_A     A   187_A     65   72  104      3    3    3    8   15   48   65   75   78   80   83   85   86   87   90   94   96   96   99  100 
LCS_AVERAGE  LCS_A:  52.06  (  37.61   44.39   74.17 )

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     50     62     65     66     67     69     73     76     78     80     83     85     87     88     94     95     96     97     99    100 
GDT PERCENT_AT  39.68  49.21  51.59  52.38  53.17  54.76  57.94  60.32  61.90  63.49  65.87  67.46  69.05  69.84  74.60  75.40  76.19  76.98  78.57  79.37
GDT RMS_LOCAL    0.32   0.47   0.53   0.66   0.75   1.20   1.56   1.80   2.13   2.30   2.57   2.73   3.00   3.10   3.77   3.85   3.89   4.13   4.25   4.38
GDT RMS_ALL_AT  13.83  13.85  13.81  13.73  13.76  14.20  14.43  14.43  15.01  14.83  14.75  14.67  14.16  14.25  13.98  14.05  14.08  14.05  14.03  14.00

# Checking swapping
#   possible swapping detected:  E    74_A      E    74_A
#   possible swapping detected:  Y    82_A      Y    82_A
#   possible swapping detected:  E    89_A      E    89_A
#   possible swapping detected:  D   118_A      D   118_A
#   possible swapping detected:  Y   129_A      Y   129_A
#   possible swapping detected:  Y   139_A      Y   139_A
#   possible swapping detected:  E   151_A      E   151_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    56.131     6    0.576   0.578    57.051    0.000    0.000
LGA    R    60_A      R    60_A    51.165     6    0.537   0.493    52.951    0.000    0.000
LGA    V    61_A      V    61_A    46.193     0    0.080   0.119    48.287    0.000    0.000
LGA    K    62_A      K    62_A    45.167     0    0.052   0.775    51.210    0.000    0.000
LGA    L    63_A      L    63_A    39.501     0    0.061   0.370    41.921    0.000    0.000
LGA    R    64_A      R    64_A    38.622     6    0.347   0.441    38.622    0.000    0.000
LGA    K    65_A      K    65_A    35.432     0    0.618   0.997    41.796    0.000    0.000
LGA    H    66_A      H    66_A    30.160     0    0.663   0.580    32.300    0.000    0.000
LGA    L    67_A      L    67_A    30.385     0    0.126   1.270    35.485    0.000    0.000
LGA    V    68_A      V    68_A    27.407     0    0.132   1.057    28.241    0.000    0.000
LGA    E    69_A      E    69_A    29.660     0    0.092   1.066    37.555    0.000    0.000
LGA    I    70_A      I    70_A    26.099     0    0.068   0.247    27.285    0.000    0.000
LGA    N    71_A      N    71_A    29.424     0    0.024   0.216    34.377    0.000    0.000
LGA    A    72_A      A    72_A    26.511     0    0.517   0.478    27.688    0.000    0.000
LGA    D    73_A      D    73_A    28.639     0    0.457   0.443    31.534    0.000    0.000
LGA    E    74_A      E    74_A    25.314     0    0.543   1.012    30.913    0.000    0.000
LGA    I    75_A      I    75_A    19.933     0    0.180   0.932    21.681    0.000    0.000
LGA    T    76_A      T    76_A    21.077     0    0.019   0.999    25.916    0.000    0.000
LGA    I    77_A      I    77_A    16.621     0    0.081   0.561    17.983    0.000    0.000
LGA    T    78_A      T    78_A    18.117     0    0.085   0.932    22.601    0.000    0.000
LGA    L    79_A      L    79_A    13.269     0    0.188   0.331    14.970    0.000    0.179
LGA    S    80_A      S    80_A    14.202     0    0.143   0.263    16.130    0.000    0.000
LGA    R    81_A      R    81_A     9.637     0    0.179   0.895    11.605    0.952    5.195
LGA    Y    82_A      Y    82_A    13.064     0    0.379   1.296    17.009    0.000    0.000
LGA    T    83_A      T    83_A    12.624     0    0.102   0.882    12.624    0.000    0.000
LGA    S    84_A      S    84_A    14.443     0    0.038   0.062    16.934    0.000    0.000
LGA    P    85_A      P    85_A    12.371     0    0.037   0.295    14.159    0.000    0.000
LGA    E    86_A      E    86_A    15.627     0    0.167   1.290    20.696    0.000    0.000
LGA    A    87_A      A    87_A    14.423     0    0.051   0.060    14.986    0.000    0.000
LGA    L    88_A      L    88_A     9.116     0    0.092   0.145    10.970    2.857   10.119
LGA    E    89_A      E    89_A    10.401     0    0.045   0.933    12.683    0.000    0.000
LGA    R    90_A      R    90_A    13.019     0    0.017   0.953    20.836    0.000    0.000
LGA    S    91_A      S    91_A    10.268     0    0.032   0.660    11.022    1.429    1.032
LGA    I    92_A      I    92_A     5.788     0    0.050   0.136     7.369   18.690   25.119
LGA    T    93_A      T    93_A     8.976     0    0.032   0.102    11.762    2.619    1.497
LGA    A    94_A      A    94_A    11.237     0    0.030   0.028    12.704    0.000    0.000
LGA    L    95_A      L    95_A     8.177     0    0.033   0.396     9.427    7.738    5.893
LGA    A    96_A      A    96_A     4.707     0    0.029   0.062     5.724   25.119   27.524
LGA    A    97_A      A    97_A     8.571     0    0.054   0.083    10.558    3.929    3.143
LGA    M    98_A      M    98_A    11.079     0    0.021   1.017    16.317    0.119    0.060
LGA    T    99_A      T    99_A     8.828     0    0.071   0.084     9.861    4.405    4.898
LGA    G   100_A      G   100_A     4.730     0    0.034   0.034     5.996   33.333   33.333
LGA    H   101_A      H   101_A     4.429     5    0.017   0.029     5.279   47.262   21.524
LGA    A   102_A      A   102_A     4.565     0    0.039   0.089     6.348   35.714   32.000
LGA    P   103_A      P   103_A     4.195     0    0.083   0.373     6.416   34.405   29.592
LGA    S   104_A      S   104_A     7.760     0    0.016   0.193     9.474    9.405    6.746
LGA    S   105_A      S   105_A     7.600     0    0.070   0.468    10.783   11.905    8.730
LGA    I   106_A      I   106_A     3.870     0    0.026   0.058     4.881   43.690   46.905
LGA    K   107_A      K   107_A     4.135     0    0.025   0.276    10.693   35.833   21.164
LGA    E   108_A      E   108_A     7.696     3    0.063   0.701     9.253   10.357    5.079
LGA    E   109_A      E   109_A     7.287     0    0.044   0.829    10.637   13.452    7.037
LGA    C   110_A      C   110_A     3.477     0    0.040   0.047     4.454   46.786   49.206
LGA    V   111_A      V   111_A     4.395     0    0.014   0.055     6.916   33.214   27.687
LGA    E   112_A      E   112_A     7.665     0    0.045   0.620    13.447   10.357    4.921
LGA    L   113_A      L   113_A     6.882     0    0.040   0.154    10.719   16.310   10.357
LGA    I   114_A      I   114_A     2.964     0    0.094   0.111     3.996   50.119   52.798
LGA    D   115_A      D   115_A     5.230     0    0.124   0.889     6.916   23.452   19.881
LGA    K   116_A      K   116_A     7.711     2    0.204   0.194    10.854   10.357    4.921
LGA    L   117_A      L   117_A     5.781     0    0.623   0.733     9.152   23.929   19.226
LGA    D   118_A      D   118_A     2.094     0    0.670   1.186     6.218   59.881   46.190
LGA    W   119_A      W   119_A     3.545     0    0.706   1.168    13.547   63.452   20.442
LGA    L   120_A      L   120_A     0.753     0    0.460   0.468     2.717   88.452   79.762
LGA    R   121_A      R   121_A     1.561     0    0.093   0.982     3.564   72.857   67.965
LGA    V   122_A      V   122_A     1.381     0    0.141   0.156     1.675   79.286   78.980
LGA    E   123_A      E   123_A     0.830     4    0.055   0.057     1.580   83.810   47.302
LGA    N   124_A      N   124_A     1.691     0    0.075   0.197     3.617   77.143   64.583
LGA    D   125_A      D   125_A     1.156     0    0.063   0.673     2.244   85.952   78.393
LGA    V   126_A      V   126_A     0.873     0    0.040   0.101     1.101   88.214   85.306
LGA    I   127_A      I   127_A     0.632     0    0.032   0.079     1.160   88.214   89.345
LGA    Q   128_A      Q   128_A     1.105     0    0.097   1.201     5.141   88.214   68.519
LGA    Y   129_A      Y   129_A     0.649     0    0.057   0.173     2.172   90.476   81.667
LGA    P   130_A      P   130_A     0.650     0    0.047   0.053     0.786   90.476   90.476
LGA    T   131_A      T   131_A     0.883     0    0.033   0.072     1.346   90.476   86.599
LGA    L   132_A      L   132_A     0.700     0    0.041   0.225     1.149   90.476   90.536
LGA    S   133_A      S   133_A     0.702     0    0.029   0.618     1.854   90.476   87.540
LGA    K   134_A      K   134_A     0.274     4    0.087   0.084     0.435  100.000   55.556
LGA    L   135_A      L   135_A     0.201     0    0.031   0.201     0.499  100.000  100.000
LGA    L   136_A      L   136_A     0.437     0    0.034   0.501     1.982  100.000   93.095
LGA    E   137_A      E   137_A     0.254     4    0.054   0.053     0.400  100.000   55.556
LGA    L   138_A      L   138_A     0.172     3    0.012   0.011     0.447  100.000   62.500
LGA    Y   139_A      Y   139_A     0.557     0    0.022   0.066     1.217   92.857   88.254
LGA    N   140_A      N   140_A     0.427     0    0.062   0.088     0.940  100.000   96.429
LGA    S   141_A      S   141_A     0.299     0    0.180   0.243     0.639   97.619   96.825
LGA    Q   142_A      Q   142_A     0.812     4    0.240   0.235     0.850   90.476   50.265
LGA    N   143_A      N   143_A     1.049     3    0.024   0.043     1.202   81.429   50.893
LGA    H   147_A      H   147_A     1.145     0    0.121   1.182     2.987   81.429   75.714
LGA    L   148_A      L   148_A     0.568     0    0.045   0.070     0.735   90.476   90.476
LGA    S   149_A      S   149_A     0.621     0    0.031   0.040     0.791   90.476   90.476
LGA    I   150_A      I   150_A     0.697     0    0.020   1.216     3.524   90.476   77.202
LGA    E   151_A      E   151_A     0.931     0    0.037   0.741     2.896   90.476   80.952
LGA    K   152_A      K   152_A     0.865     0    0.040   0.681     2.502   90.476   85.873
LGA    L   153_A      L   153_A     0.784     0    0.029   0.096     0.892   90.476   90.476
LGA    I   154_A      I   154_A     0.853     0    0.031   0.089     1.140   90.476   89.345
LGA    A   155_A      A   155_A     1.107     0    0.037   0.049     1.185   81.429   81.429
LGA    G   156_A      G   156_A     0.951     0    0.042   0.042     0.951   90.476   90.476
LGA    L   157_A      L   157_A     0.892     0    0.088   0.115     0.972   90.476   90.476
LGA    A   158_A      A   158_A     1.197     0    0.125   0.140     1.352   81.429   81.429
LGA    V   159_A      V   159_A     1.488     0    0.244   1.188     3.076   75.119   74.626
LGA    R   160_A      R   160_A     1.190     0    0.094   0.954     3.019   83.690   78.658
LGA    R   161_A      R   161_A     1.645     0    0.116   1.086     8.101   77.143   52.381
LGA    K   162_A      K   162_A     1.381     0    0.030   0.513     3.309   79.286   68.889
LGA    V   163_A      V   163_A     0.655     0    0.015   0.059     0.946   92.857   91.837
LGA    C   164_A      C   164_A     0.685     0    0.037   0.059     1.005   90.476   88.968
LGA    K   165_A      K   165_A     0.699     0    0.030   1.074     5.366   90.476   68.783
LGA    L   166_A      L   166_A     0.614     0    0.064   0.122     0.922   90.476   90.476
LGA    V   167_A      V   167_A     0.535     0    0.050   0.051     0.721   90.476   90.476
LGA    Q   168_A      Q   168_A     0.508     0    0.013   0.955     3.334   95.238   86.085
LGA    D   169_A      D   169_A     0.567     0    0.024   0.184     0.891   92.857   94.048
LGA    G   170_A      G   170_A     0.604     0    0.054   0.054     0.900   90.476   90.476
LGA    H   171_A      H   171_A     0.647     0    0.086   1.014     2.561   90.476   81.095
LGA    I   172_A      I   172_A     0.608     0    0.119   0.745     3.493   88.214   85.476
LGA    D   173_A      D   173_A     0.817     0    0.110   1.136     3.219   90.476   84.286
LGA    E   174_A      E   174_A     0.865     4    0.014   0.040     0.955   90.476   50.265
LGA    T   175_A      T   175_A     0.888     0    0.056   1.185     2.483   90.476   81.837
LGA    V   176_A      V   176_A     0.672     0    0.013   0.061     0.804   90.476   90.476
LGA    Y   177_A      Y   177_A     0.943     7    0.009   0.021     1.029   88.214   36.190
LGA    R   178_A      R   178_A     0.933     0    0.024   0.749     4.777   90.476   71.991
LGA    A   179_A      A   179_A     0.644     0    0.052   0.056     0.840   90.476   90.476
LGA    L   180_A      L   180_A     0.738     0    0.023   0.187     0.812   90.476   90.476
LGA    D   181_A      D   181_A     0.953     0    0.035   0.175     1.422   90.476   87.083
LGA    E   182_A      E   182_A     0.971     0    0.042   0.201     1.628   88.214   84.497
LGA    M   183_A      M   183_A     0.752     0    0.088   0.118     1.303   88.214   88.214
LGA    A   184_A      A   184_A     0.848     0    0.044   0.065     1.176   88.214   88.667
LGA    A   185_A      A   185_A     1.051     0    0.170   0.198     1.935   81.548   81.524
LGA    G   186_A      G   186_A     1.025     0    0.223   0.223     3.830   70.000   70.000
LGA    A   187_A      A   187_A     4.830     0    0.123   0.170     5.608   36.786   33.714

# 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):    12.410         12.237                 12.545           50.784   45.199

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  184  126    4.0     76    1.80    59.325    55.522     3.994

LGA_LOCAL      RMSD:   1.803  Number of atoms:   76  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  14.435  Number of assigned atoms:  126 
Std_ASGN_ATOMS RMSD:  12.410  Standard rmsd on all 126 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.646570 * X  +  -0.727060 * Y  +   0.230934 * Z  + -23.140680
  Y_new =  -0.129581 * X  +  -0.193648 * Y  +  -0.972476 * Z  +  18.564659
  Z_new =   0.751768 * X  +  -0.658698 * Y  +   0.030994 * Z  +  15.830575 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.943799 -0.850740 -1.523778   [DEG: -168.6673  -48.7438  -87.3061 ]
ZXZ:  0.233151  1.539798  2.290305   [DEG:   13.3586   88.2239  131.2248 ]
 
# END of job
