
#######################################################
#                                                     #
#                        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  145 ( 1148),  selected  145 , name one
# Molecule2: number of CA atoms  210 ( 1634),  selected  145 , 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:    63     128_A - 190_A       4.90    12.89
  LONGEST_CONTINUOUS_SEGMENT:    63     129_A - 191_A       4.63    12.70
  LONGEST_CONTINUOUS_SEGMENT:    63     130_A - 192_A       4.64    12.67
  LONGEST_CONTINUOUS_SEGMENT:    63     131_A - 193_A       4.98    12.73
  LCS_AVERAGE:     19.63

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    27     131_A - 157_A       1.76    13.15
  LONGEST_CONTINUOUS_SEGMENT:    27     132_A - 158_A       1.66    13.16
  LONGEST_CONTINUOUS_SEGMENT:    27     162_A - 188_A       1.75    12.79
  LCS_AVERAGE:      8.11

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    21     136_A - 156_A       0.97    12.78
  LCS_AVERAGE:      4.79

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  145
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     A    66_A     A    66_A     10   13   32      4    6   10   16   36   45   52   62   75   82   91   93   96  100  101  105  106  108  108  109 
LCS_GDT     I    67_A     I    67_A     10   13   32      4    8   10   27   39   49   55   66   78   84   91   93   97  100  101  105  106  108  108  109 
LCS_GDT     T    68_A     T    68_A     10   13   32      4    8   15   27   40   49   58   69   78   85   91   93   97  100  101  105  106  108  108  109 
LCS_GDT     V    69_A     V    69_A     10   13   32      4    8   10   27   40   49   55   66   78   84   91   93   97  100  101  105  106  108  108  109 
LCS_GDT     G    70_A     G    70_A     10   13   32      4    8   16   27   40   49   60   67   78   85   91   93   97  100  101  105  106  108  108  109 
LCS_GDT     G    71_A     G    71_A     10   13   32      4    8   16   27   40   49   55   69   78   85   91   93   97  100  101  105  106  108  108  109 
LCS_GDT     E    72_A     E    72_A     10   13   32      3    5    9   13   39   46   55   67   78   85   91   93   97  100  101  105  106  108  108  109 
LCS_GDT     Q    73_A     Q    73_A     10   13   32      3    8   16   27   40   55   60   70   78   85   91   93   97  100  101  105  106  108  108  109 
LCS_GDT     A    74_A     A    74_A     10   13   32      4    8    9   19   40   55   60   71   78   85   91   93   97  100  101  105  106  108  108  109 
LCS_GDT     F    75_A     F    75_A     10   13   32      4    8   12   35   47   55   65   72   78   85   91   93   97  100  101  105  106  108  108  109 
LCS_GDT     N    76_A     N    76_A      4   13   32      4    4    6    9   12   13   16   39   75   85   91   93   97  100  101  105  106  108  108  109 
LCS_GDT     I    77_A     I    77_A      4   13   32      4    4    9   11   25   43   56   70   77   85   91   93   97  100  101  105  106  108  108  109 
LCS_GDT     T    78_A     T    78_A      4   16   32      9   27   40   48   60   66   71   76   78   85   91   93   97  100  101  105  106  108  108  109 
LCS_GDT     D    79_A     D    79_A     12   16   32      5   22   41   52   58   66   71   76   78   82   89   93   97  100  101  105  106  108  108  109 
LCS_GDT     H    80_A     H    80_A     12   16   32      5   19   37   48   58   66   70   76   78   82   89   93   97  100  101  105  106  108  108  109 
LCS_GDT     L    81_A     L    81_A     12   16   32      5   28   42   52   60   66   71   76   78   85   91   93   97  100  101  105  106  108  108  109 
LCS_GDT     W    82_A     W    82_A     12   16   32      8   28   45   52   60   66   71   76   78   85   91   93   97  100  101  105  106  108  108  109 
LCS_GDT     V    83_A     V    83_A     12   16   32     14   34   48   54   60   66   71   76   78   85   91   93   97  100  101  105  106  108  108  109 
LCS_GDT     A    84_A     A    84_A     12   16   32      6   31   48   54   60   66   71   76   78   85   91   93   97  100  101  105  106  108  108  109 
LCS_GDT     A    85_A     A    85_A     12   16   32      6   18   48   54   58   66   71   76   78   85   91   93   97  100  101  105  106  108  108  109 
LCS_GDT     G    86_A     G    86_A     12   16   32      6   18   44   54   58   66   71   76   78   85   91   93   97  100  101  105  106  108  108  109 
LCS_GDT     Y    87_A     Y    87_A     12   16   32      6   18   37   54   58   66   70   76   78   85   91   93   97  100  101  105  106  108  108  109 
LCS_GDT     Q    88_A     Q    88_A     12   16   32      6   18   26   48   58   65   70   76   78   85   91   93   97  100  101  105  106  108  108  109 
LCS_GDT     H    89_A     H    89_A     12   16   32      6   18   26   48   58   65   70   76   78   85   91   93   97  100  101  105  106  108  108  109 
LCS_GDT     L    90_A     L    90_A     12   16   32      3    5   12   13   15   20   52   70   75   84   91   93   97  100  101  105  106  108  108  109 
LCS_GDT     F    91_A     F    91_A      3   16   32      3    3    4    8   27   46   59   70   78   85   91   93   97  100  101  105  106  108  108  109 
LCS_GDT     S    92_A     S    92_A      3   16   32      3    3    5   13   15   17   30   41   54   82   89   93   95   98  101  105  106  108  108  109 
LCS_GDT     A    93_A     A    93_A      4   16   32      3    3   18   29   40   49   60   70   78   85   91   93   96  100  101  105  106  108  108  109 
LCS_GDT     G    94_A     G    94_A      4    5   32      3    3   38   54   58   66   71   76   78   85   91   93   97  100  101  105  106  108  108  109 
LCS_GDT     E    95_A     E    95_A      4    5   32      3   28   42   48   57   64   71   76   78   81   86   90   96   99  101  105  106  108  108  109 
LCS_GDT     S    96_A     S    96_A      4    5   32      3    5   10   34   53   59   66   70   74   79   83   85   88   91   95  101  106  108  108  109 
LCS_GDT     I    97_A     I    97_A      4    5   32      3    4    4    5    5    5    7    7    8    9   30   50   72   80   89   89   92   94  103  107 
LCS_GDT     Q    98_A     Q    98_A      4    5   11      3    4    4    5    5    5    7    7    9   10   30   33   44   49   57   65   77   77   85   86 
LCS_GDT     Y    99_A     Y    99_A      3    5   11      3    3    4    5    5    6    9    9   26   28   34   51   64   70   73   75   78   82   85   87 
LCS_GDT     R   100_A     R   100_A      3    5   11      3    3    4    5    5    6   17   21   26   33   42   51   59   67   72   74   77   79   83   86 
LCS_GDT     P   101_A     P   101_A      3    5   11      3    3    4    5    7   16   19   30   39   43   53   57   64   70   73   75   78   82   83   86 
LCS_GDT     L   102_A     L   102_A      3    5   13      3    3    4    5    5    7    8   13   16   31   37   46   50   57   68   72   74   77   79   82 
LCS_GDT     V   103_A     V   103_A      3    5   13      0    3    4    5    5   11   18   21   28   33   38   49   53   63   68   72   74   77   79   82 
LCS_GDT     K   104_A     K   104_A      3    4   13      3    3    4    4    5    5    7   14   17   23   27   40   44   48   54   59   68   73   76   79 
LCS_GDT     I   105_A     I   105_A      3    4   13      3    3    4    4    5    5    7    8    9   10   27   33   40   48   53   58   64   73   74   75 
LCS_GDT     G   106_A     G   106_A      3    4   13      3    3    3    4    5    5    7    8    9   10   10   11   35   41   50   51   52   63   70   75 
LCS_GDT     Y   107_A     Y   107_A      3    5   16      3    3    3    4    5    5    7    8    9   10   10   11   12   13   14   18   20   22   23   27 
LCS_GDT     N   108_A     N   108_A      4    5   16      3    4    4    4    5    5    6    8    9   10   10   11   12   13   15   17   19   22   23   27 
LCS_GDT     F   109_A     F   109_A      4    5   16      3    4    4    4    5    5   10   13   13   13   14   14   19   23   23   24   25   26   27   28 
LCS_GDT     D   110_A     D   110_A      4   11   16      3    4    4    4    8   11   12   13   13   13   16   19   19   23   23   24   25   26   31   33 
LCS_GDT     N   111_A     N   111_A      4   11   16      3    4    4    8    9   11   12   13   13   15   16   19   19   23   23   24   26   28   31   33 
LCS_GDT     G   112_A     G   112_A      9   11   16      8    9    9    9    9   11   12   13   13   15   16   19   19   23   23   24   26   32   33   35 
LCS_GDT     I   113_A     I   113_A      9   11   16      8    9    9    9    9   11   12   13   13   15   15   16   19   23   23   26   28   32   34   36 
LCS_GDT     S   114_A     S   114_A      9   11   16      8    9    9    9    9   11   12   13   13   15   16   21   31   38   42   43   50   56   61   64 
LCS_GDT     L   115_A     L   115_A      9   11   16      8    9    9    9    9   11   12   13   13   15   32   41   54   59   68   72   77   79   92   92 
LCS_GDT     S   116_A     S   116_A      9   11   16      8    9    9    9    9   22   35   49   67   71   83   85   88   96  100  105  106  108  108  109 
LCS_GDT     N   117_A     N   117_A      9   11   16      8    9    9    9    9   49   56   71   78   83   91   93   97  100  101  105  106  108  108  109 
LCS_GDT     R   118_A     R   118_A      9   11   16      8    9    9   11   22   30   40   52   59   75   84   92   97  100  101  105  106  108  108  109 
LCS_GDT     T   119_A     T   119_A      9   11   16      8    9    9    9    9   11   12   13   13   18   34   37   41   48   59   72   89  103  105  106 
LCS_GDT     R   120_A     R   120_A      9   11   16      3    9    9    9    9   11   12   13   13   15   19   21   24   28   31   35   44   49   56   61 
LCS_GDT     A   121_A     A   121_A      4   11   16      3    3    4    5    7   10   12   13   13   15   16   19   21   26   31   35   37   39   44   48 
LCS_GDT     H   122_A     H   122_A      5    8   16      4    4    5    5    7   10   10   11   13   15   18   20   24   28   31   35   37   39   43   48 
LCS_GDT     I   123_A     I   123_A      5    6   16      4    4    5    5    5    6    7    7   11   13   18   20   24   30   31   35   37   39   44   48 
LCS_GDT     D   124_A     D   124_A      5    6   10      4    4    5    5    5    6    7    7   11   11   14   20   24   30   31   35   37   39   44   48 
LCS_GDT     A   125_A     A   125_A      5    6   10      4    4    5    5    5    6    7    7   11   11   14   19   21   21   22   35   37   39   44   48 
LCS_GDT     T   126_A     T   126_A      5    6   10      3    4    5    5    5    6    7    7   11   11   14   19   21   21   22   35   37   39   44   48 
LCS_GDT     D   127_A     D   127_A      5    6   10      3    3    5    5    5    6    7    7   11   11   11   13   18   19   20   21   25   29   34   36 
LCS_GDT     A   128_A     A   128_A      5    5   63      1    4    5    5    5    6    7    8   11   12   14   14   18   19   22   32   34   39   49   54 
LCS_GDT     D   129_A     D   129_A      5    5   63      3    4    5    5    5    6    8   10   12   12   14   17   27   37   51   55   60   79   89  100 
LCS_GDT     A   130_A     A   130_A      5    5   63      3    4    5    5    5    7   12   22   38   47   57   70   81   90   98  102  103  105  105  108 
LCS_GDT     K   131_A     K   131_A      5   27   63      3    4    5   13   22   48   56   62   73   81   91   93   97  100  101  105  106  108  108  109 
LCS_GDT     T   132_A     T   132_A     11   27   63      6   26   45   54   60   66   71   76   78   85   91   93   97  100  101  105  106  108  108  109 
LCS_GDT     D   133_A     D   133_A     11   27   63      6   11   41   53   58   66   71   76   78   85   91   93   97  100  101  105  106  108  108  109 
LCS_GDT     Y   134_A     Y   134_A     11   27   63      6   25   48   54   60   66   71   76   78   85   91   93   97  100  101  105  106  108  108  109 
LCS_GDT     R   135_A     R   135_A     11   27   63      6   21   48   54   60   66   71   76   78   85   91   93   97  100  101  105  106  108  108  109 
LCS_GDT     M   136_A     M   136_A     21   27   63      6   31   48   54   60   66   71   76   78   85   91   93   97  100  101  105  106  108  108  109 
LCS_GDT     D   137_A     D   137_A     21   27   63      6   31   48   54   60   66   71   76   78   85   91   93   97  100  101  105  106  108  108  109 
LCS_GDT     N   138_A     N   138_A     21   27   63     12   34   48   54   60   66   71   76   78   85   91   93   97  100  101  105  106  108  108  109 
LCS_GDT     R   139_A     R   139_A     21   27   63      9   32   48   54   60   66   71   76   78   85   91   93   97  100  101  105  106  108  108  109 
LCS_GDT     I   140_A     I   140_A     21   27   63      6   30   45   54   60   66   71   76   78   85   91   93   97  100  101  105  106  108  108  109 
LCS_GDT     G   141_A     G   141_A     21   27   63      8   33   48   54   60   66   71   76   78   85   91   93   97  100  101  105  106  108  108  109 
LCS_GDT     Y   142_A     Y   142_A     21   27   63     19   34   48   54   60   66   71   76   78   85   91   93   97  100  101  105  106  108  108  109 
LCS_GDT     A   143_A     A   143_A     21   27   63     19   34   48   54   60   66   71   76   78   85   91   93   97  100  101  105  106  108  108  109 
LCS_GDT     M   144_A     M   144_A     21   27   63     19   34   48   54   60   66   71   76   78   85   91   93   97  100  101  105  106  108  108  109 
LCS_GDT     N   145_A     N   145_A     21   27   63     19   34   48   54   60   66   71   76   78   85   91   93   97  100  101  105  106  108  108  109 
LCS_GDT     E   146_A     E   146_A     21   27   63      5   23   48   54   60   66   71   76   78   85   91   93   97  100  101  105  106  108  108  109 
LCS_GDT     D   147_A     D   147_A     21   27   63      4   22   48   54   60   66   71   76   78   85   91   93   97  100  101  105  106  108  108  109 
LCS_GDT     V   148_A     V   148_A     21   27   63      8   34   48   54   60   66   71   76   78   85   91   93   97  100  101  105  106  108  108  109 
LCS_GDT     T   149_A     T   149_A     21   27   63     19   34   48   54   60   66   71   76   78   85   91   93   97  100  101  105  106  108  108  109 
LCS_GDT     F   150_A     F   150_A     21   27   63     13   34   48   54   60   66   71   76   78   85   91   93   97  100  101  105  106  108  108  109 
LCS_GDT     S   151_A     S   151_A     21   27   63     11   34   48   54   60   66   71   76   78   85   91   93   97  100  101  105  106  108  108  109 
LCS_GDT     Y   152_A     Y   152_A     21   27   63     19   34   48   54   60   66   71   76   78   85   91   93   97  100  101  105  106  108  108  109 
LCS_GDT     N   153_A     N   153_A     21   27   63     19   34   48   54   60   66   71   76   78   85   91   93   97  100  101  105  106  108  108  109 
LCS_GDT     N   154_A     N   154_A     21   27   63     19   34   48   54   60   66   71   76   78   85   91   93   97  100  101  105  106  108  108  109 
LCS_GDT     V   155_A     V   155_A     21   27   63      5   32   48   54   60   66   71   76   78   85   91   93   97  100  101  105  106  108  108  109 
LCS_GDT     Y   156_A     Y   156_A     21   27   63     11   34   48   54   60   66   71   76   78   85   91   93   97  100  101  105  106  108  108  109 
LCS_GDT     M   157_A     M   157_A     20   27   63      9   26   42   52   60   66   71   76   78   85   91   93   97  100  101  105  106  108  108  109 
LCS_GDT     I   158_A     I   158_A      5   27   63      3    7   14   34   52   58   66   70   77   80   83   91   95   99  101  105  106  108  108  109 
LCS_GDT     E   159_A     E   159_A      5   24   63      3    4    7   10   20   38   57   64   71   76   79   84   91   96  100  103  106  108  108  109 
LCS_GDT     A   160_A     A   160_A      3   23   63      3    5    6   10   26   46   58   67   73   77   82   89   92   97  101  103  106  108  108  109 
LCS_GDT     E   161_A     E   161_A      3   26   63      3    3    7   10   33   46   58   67   73   79   82   91   95   99  101  105  106  108  108  109 
LCS_GDT     T   162_A     T   162_A     11   27   63      7   34   48   54   60   66   71   76   78   85   91   93   97  100  101  105  106  108  108  109 
LCS_GDT     M   163_A     M   163_A     11   27   63     10   34   48   54   60   66   71   76   78   85   91   93   97  100  101  105  106  108  108  109 
LCS_GDT     D   164_A     D   164_A     11   27   63     19   34   48   54   60   66   71   76   78   85   91   93   97  100  101  105  106  108  108  109 
LCS_GDT     H   165_A     H   165_A     11   27   63     18   34   48   54   60   66   71   76   78   85   91   93   97  100  101  105  106  108  108  109 
LCS_GDT     E   166_A     E   166_A     11   27   63      4   26   48   54   60   66   71   76   78   85   91   93   97  100  101  105  106  108  108  109 
LCS_GDT     L   167_A     L   167_A     11   27   63     19   34   48   54   60   66   71   76   78   85   91   93   97  100  101  105  106  108  108  109 
LCS_GDT     R   168_A     R   168_A     11   27   63     19   34   48   54   60   66   71   76   78   85   91   93   97  100  101  105  106  108  108  109 
LCS_GDT     A   169_A     A   169_A     11   27   63     19   34   48   54   60   66   71   76   78   85   91   93   97  100  101  105  106  108  108  109 
LCS_GDT     T   170_A     T   170_A     11   27   63     18   34   48   54   60   66   71   76   78   85   91   93   97  100  101  105  106  108  108  109 
LCS_GDT     W   171_A     W   171_A     11   27   63     11   34   48   54   60   66   71   76   78   85   91   93   97  100  101  105  106  108  108  109 
LCS_GDT     T   172_A     T   172_A     11   27   63      3   20   35   48   60   66   71   76   78   85   91   93   97  100  101  105  106  108  108  109 
LCS_GDT     R   173_A     R   173_A     12   27   63      3   18   31   45   57   65   71   76   78   85   91   93   97  100  101  105  106  108  108  109 
LCS_GDT     Q   174_A     Q   174_A     12   27   63      5   25   36   48   57   65   71   76   78   85   91   93   97  100  101  105  106  108  108  109 
LCS_GDT     G   175_A     G   175_A     12   27   63      3   11   37   50   57   66   71   76   78   85   91   93   97  100  101  105  106  108  108  109 
LCS_GDT     V   176_A     V   176_A     12   27   63      3    6   32   48   57   65   71   76   78   85   91   93   97  100  101  105  106  108  108  109 
LCS_GDT     Q   177_A     Q   177_A     12   27   63     11   29   42   52   60   66   71   76   78   85   91   93   97  100  101  105  106  108  108  109 
LCS_GDT     P   178_A     P   178_A     12   27   63     11   29   45   53   60   66   71   76   78   85   91   93   97  100  101  105  106  108  108  109 
LCS_GDT     Y   179_A     Y   179_A     12   27   63     12   34   48   54   60   66   71   76   78   85   91   93   97  100  101  105  106  108  108  109 
LCS_GDT     F   180_A     F   180_A     12   27   63     19   34   48   54   60   66   71   76   78   85   91   93   97  100  101  105  106  108  108  109 
LCS_GDT     E   181_A     E   181_A     12   27   63     19   34   48   54   60   66   71   76   78   85   91   93   97  100  101  105  106  108  108  109 
LCS_GDT     F   182_A     F   182_A     12   27   63     19   34   48   54   60   66   71   76   78   85   91   93   97  100  101  105  106  108  108  109 
LCS_GDT     R   183_A     R   183_A     12   27   63     19   34   48   54   60   66   71   76   78   85   91   93   97  100  101  105  106  108  108  109 
LCS_GDT     S   184_A     S   184_A     12   27   63     19   34   48   54   60   66   71   76   78   85   91   93   97  100  101  105  106  108  108  109 
LCS_GDT     Q   185_A     Q   185_A      9   27   63      5   27   48   54   60   66   71   76   78   85   91   93   97  100  101  105  106  108  108  109 
LCS_GDT     A   186_A     A   186_A      7   27   63      5   10   32   53   60   66   71   76   78   85   91   93   97  100  101  105  106  108  108  109 
LCS_GDT     H   187_A     H   187_A      6   27   63      3    5    6    6   47   59   71   76   78   85   91   93   97  100  101  105  106  108  108  109 
LCS_GDT     G   188_A     G   188_A      6   27   63      3    5   13   35   56   66   71   76   78   85   91   93   97  100  101  105  106  108  108  109 
LCS_GDT     A   189_A     A   189_A      6    8   63      3    5    7   11   22   35   50   61   75   80   84   91   97  100  101  105  106  108  108  109 
LCS_GDT     E   190_A     E   190_A      6    8   63      3    5    6    6   12   20   33   41   49   58   67   78   85   92   97   99  102  103  107  109 
LCS_GDT     N   191_A     N   191_A      4    7   63      3    4    4    6    7    8   12   13   16   18   23   38   45   50   60   65   70   92   96  102 
LCS_GDT     A   192_A     A   192_A      4    7   63      3    4    4    6    6    7    9   13   15   16   19   21   27   30   38   41   45   72   90   98 
LCS_GDT     A   193_A     A   193_A      4    7   63      3    4    4    5    6    6    7    9   11   11   13   15   16   19   21   24   26   34   41   47 
LCS_GDT     G   194_A     G   194_A      5    7   22      3    4    5    6    7    8    9   11   12   14   15   19   21   21   27   35   37   42   85   98 
LCS_GDT     D   195_A     D   195_A      5    7   22      3    4    5    6    7    8    9   11   15   16   25   29   35   58   63   85  102  102  107  108 
LCS_GDT     S   196_A     S   196_A      5    7   22      3    4    5    7    9   11   17   34   65   79   84   91   97  100  101  105  106  108  108  109 
LCS_GDT     L   197_A     L   197_A      5   10   22      3    5   12   30   44   56   68   73   78   81   86   93   97  100  101  105  106  108  108  109 
LCS_GDT     V   198_A     V   198_A      6   13   22      4   26   45   54   60   66   71   76   78   85   91   93   97  100  101  105  106  108  108  109 
LCS_GDT     N   199_A     N   199_A      9   13   22     18   34   48   54   60   66   71   76   78   85   91   93   97  100  101  105  106  108  108  109 
LCS_GDT     N   200_A     N   200_A     11   13   22     19   34   48   54   60   66   71   76   78   85   91   93   97  100  101  105  106  108  108  109 
LCS_GDT     A   201_A     A   201_A     11   13   22     15   30   48   54   60   66   71   76   78   85   91   93   97  100  101  105  106  108  108  109 
LCS_GDT     F   202_A     F   202_A     11   13   22     19   34   48   54   60   66   71   76   78   85   91   93   97  100  101  105  106  108  108  109 
LCS_GDT     V   203_A     V   203_A     11   13   22     11   34   48   54   60   66   71   76   78   85   91   93   97  100  101  105  106  108  108  109 
LCS_GDT     F   204_A     F   204_A     11   13   22     12   34   48   54   60   66   71   76   78   85   91   93   97  100  101  105  106  108  108  109 
LCS_GDT     G   205_A     G   205_A     11   13   22     11   28   42   53   60   66   71   76   78   85   91   93   97  100  101  105  106  108  108  109 
LCS_GDT     A   206_A     A   206_A     11   13   22     11   25   42   51   60   66   71   76   78   85   91   93   97  100  101  105  106  108  108  109 
LCS_GDT     S   207_A     S   207_A     11   13   22     10   20   35   48   57   65   71   76   78   85   91   93   97  100  101  105  106  108  108  109 
LCS_GDT     Y   208_A     Y   208_A     11   13   22      6   20   29   42   52   64   69   75   78   81   87   93   97  100  101  105  106  108  108  109 
LCS_GDT     G   209_A     G   209_A     11   13   22      6   18   28   38   50   59   66   71   77   81   87   92   97  100  101  105  106  108  108  109 
LCS_GDT     F   210_A     F   210_A     11   13   22      6   20   29   38   50   59   66   70   77   81   86   91   97  100  101  105  106  108  108  109 
LCS_AVERAGE  LCS_A:  10.84  (   4.79    8.11   19.63 )

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     19     34     48     54     60     66     71     76     78     85     91     93     97    100    101    105    106    108    108    109 
GDT PERCENT_AT   9.05  16.19  22.86  25.71  28.57  31.43  33.81  36.19  37.14  40.48  43.33  44.29  46.19  47.62  48.10  50.00  50.48  51.43  51.43  51.90
GDT RMS_LOCAL    0.33   0.63   0.95   1.07   1.37   1.54   1.78   1.97   2.09   2.74   3.04   3.15   3.45   3.59   3.59   3.89   4.01   4.15   4.15   4.31
GDT RMS_ALL_AT  12.82  12.74  12.77  12.79  12.69  12.73  12.70  12.71  12.70  12.94  13.00  12.97  12.85  12.90  12.91  12.87  12.82  12.83  12.83  12.82

# Checking swapping
#   possible swapping detected:  E    72_A      E    72_A
#   possible swapping detected:  D    79_A      D    79_A
#   possible swapping detected:  Y    87_A      Y    87_A
#   possible swapping detected:  F    91_A      F    91_A
#   possible swapping detected:  F   109_A      F   109_A
#   possible swapping detected:  D   127_A      D   127_A
#   possible swapping detected:  D   133_A      D   133_A
#   possible swapping detected:  Y   134_A      Y   134_A
#   possible swapping detected:  E   146_A      E   146_A
#   possible swapping detected:  Y   156_A      Y   156_A
#   possible swapping detected:  D   164_A      D   164_A
#   possible swapping detected:  E   166_A      E   166_A
#   possible swapping detected:  E   181_A      E   181_A
#   possible swapping detected:  E   190_A      E   190_A
#   possible swapping detected:  D   195_A      D   195_A
#   possible swapping detected:  F   202_A      F   202_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    A    66_A      A    66_A     8.749     0    0.196   0.217     9.419    2.500    3.429
LGA    I    67_A      I    67_A     8.840     0    0.191   1.229    14.435    4.405    2.619
LGA    T    68_A      T    68_A     7.740     0    0.064   0.181     8.427    5.357    9.320
LGA    V    69_A      V    69_A     8.843     0    0.000   1.123    12.494    3.810    2.925
LGA    G    70_A      G    70_A     8.032     0    0.055   0.055     8.242    4.762    4.762
LGA    G    71_A      G    71_A     8.145     0    0.022   0.022     8.162    4.762    4.762
LGA    E    72_A      E    72_A     7.878     0    0.254   1.073    10.297    5.952    5.079
LGA    Q    73_A      Q    73_A     7.327     0    0.075   0.892    10.637   11.667    6.561
LGA    A    74_A      A    74_A     6.507     0    0.054   0.072     7.235   12.500   12.667
LGA    F    75_A      F    75_A     6.720     0    0.044   0.792    12.369   16.190    6.797
LGA    N    76_A      N    76_A     6.335     0    0.573   0.420    11.192   19.286   10.893
LGA    I    77_A      I    77_A     6.455     0    0.118   1.310     9.134   20.476   14.226
LGA    T    78_A      T    78_A     2.572     0    0.397   0.784     3.521   68.095   62.381
LGA    D    79_A      D    79_A     3.463     0    0.076   0.329     6.227   47.381   35.655
LGA    H    80_A      H    80_A     4.022     0    0.171   0.353     7.038   45.119   31.000
LGA    L    81_A      L    81_A     2.552     0    0.064   1.146     5.392   61.190   52.798
LGA    W    82_A      W    82_A     1.937     0    0.098   1.335     9.585   72.976   39.150
LGA    V    83_A      V    83_A     0.777     0    0.241   1.160     2.930   77.738   75.918
LGA    A    84_A      A    84_A     1.662     0    0.189   0.269     1.892   77.143   76.286
LGA    A    85_A      A    85_A     2.426     0    0.016   0.013     2.885   60.952   60.190
LGA    G    86_A      G    86_A     2.733     0    0.025   0.025     3.002   55.357   55.357
LGA    Y    87_A      Y    87_A     3.155     0    0.120   0.750     5.701   50.000   43.968
LGA    Q    88_A      Q    88_A     3.477     0    0.083   0.733     5.005   46.667   40.952
LGA    H    89_A      H    89_A     3.784     0    0.164   1.161     7.266   43.333   32.905
LGA    L    90_A      L    90_A     5.244     0    0.015   0.092     8.887   25.476   16.905
LGA    F    91_A      F    91_A     6.893     0    0.680   1.444    10.341    9.405   10.043
LGA    S    92_A      S    92_A     9.405     0    0.487   0.654    13.128    2.857    1.905
LGA    A    93_A      A    93_A     8.556     0    0.431   0.406     9.519    8.214    6.667
LGA    G    94_A      G    94_A     2.474     0    0.078   0.078     4.350   57.976   57.976
LGA    E    95_A      E    95_A     4.880     0    0.575   1.014    11.183   30.833   16.931
LGA    S    96_A      S    96_A     7.718     0    0.321   0.338     8.853    8.571    7.302
LGA    I    97_A      I    97_A    12.360     0    0.029   0.673    15.487    0.000    0.000
LGA    Q    98_A      Q    98_A    17.824     0    0.680   1.045    22.808    0.000    0.000
LGA    Y    99_A      Y    99_A    18.358     0    0.583   1.354    20.272    0.000    0.000
LGA    R   100_A      R   100_A    19.019     0    0.338   0.415    19.607    0.000    0.000
LGA    P   101_A      P   101_A    19.356     0    0.117   0.298    20.452    0.000    0.000
LGA    L   102_A      L   102_A    21.988     0    0.654   0.962    24.606    0.000    0.000
LGA    V   103_A      V   103_A    21.787     0    0.668   1.058    22.061    0.000    0.000
LGA    K   104_A      K   104_A    22.060     0    0.551   0.885    23.575    0.000    0.000
LGA    I   105_A      I   105_A    22.364     0    0.060   1.143    22.959    0.000    0.000
LGA    G   106_A      G   106_A    23.917     0    0.677   0.677    27.450    0.000    0.000
LGA    Y   107_A      Y   107_A    31.228     0    0.649   1.444    37.644    0.000    0.000
LGA    N   108_A      N   108_A    32.522     0    0.616   1.131    34.249    0.000    0.000
LGA    F   109_A      F   109_A    33.440     0    0.305   0.895    35.073    0.000    0.000
LGA    D   110_A      D   110_A    39.115     0    0.574   1.308    42.937    0.000    0.000
LGA    N   111_A      N   111_A    38.237     0    0.612   1.289    39.742    0.000    0.000
LGA    G   112_A      G   112_A    32.214     0    0.669   0.669    33.922    0.000    0.000
LGA    I   113_A      I   113_A    27.729     0    0.017   0.065    32.079    0.000    0.000
LGA    S   114_A      S   114_A    20.311     0    0.063   0.134    23.036    0.000    0.000
LGA    L   115_A      L   115_A    14.627     0    0.036   1.410    16.539    0.000    0.000
LGA    S   116_A      S   116_A     7.570     0    0.010   0.042    10.348    5.833    6.349
LGA    N   117_A      N   117_A     5.428     0    0.041   1.326     6.781   34.762   26.131
LGA    R   118_A      R   118_A     8.345     0    0.019   0.968    14.534    3.690    1.602
LGA    T   119_A      T   119_A    15.003     0    0.250   1.048    16.663    0.000    0.000
LGA    R   120_A      R   120_A    20.673     0    0.147   0.767    27.640    0.000    0.000
LGA    A   121_A      A   121_A    25.185     0    0.021   0.023    27.174    0.000    0.000
LGA    H   122_A      H   122_A    28.459     0    0.495   0.692    29.841    0.000    0.000
LGA    I   123_A      I   123_A    29.026     0    0.125   0.237    29.785    0.000    0.000
LGA    D   124_A      D   124_A    28.526     0    0.091   0.111    29.527    0.000    0.000
LGA    A   125_A      A   125_A    27.506     0    0.631   0.567    28.410    0.000    0.000
LGA    T   126_A      T   126_A    27.457     0    0.158   0.229    28.321    0.000    0.000
LGA    D   127_A      D   127_A    26.596     0    0.698   1.059    27.782    0.000    0.000
LGA    A   128_A      A   128_A    22.517     0    0.679   0.612    23.629    0.000    0.000
LGA    D   129_A      D   129_A    16.974     0    0.426   0.526    18.777    0.000    0.000
LGA    A   130_A      A   130_A    12.988     0    0.104   0.138    14.186    0.119    0.095
LGA    K   131_A      K   131_A     7.275     0    0.306   1.396    14.087   13.690    6.931
LGA    T   132_A      T   132_A     1.938     0    0.576   0.529     5.262   64.881   59.320
LGA    D   133_A      D   133_A     2.721     0    0.061   0.860     5.524   64.881   49.940
LGA    Y   134_A      Y   134_A     1.935     0    0.066   0.172     3.560   70.833   61.944
LGA    R   135_A      R   135_A     1.915     0    0.118   1.097     5.987   72.857   54.113
LGA    M   136_A      M   136_A     1.168     0    0.054   0.737     2.518   81.429   77.321
LGA    D   137_A      D   137_A     1.378     0    0.179   0.841     2.790   83.690   77.381
LGA    N   138_A      N   138_A     1.035     0    0.204   1.302     4.038   83.929   69.226
LGA    R   139_A      R   139_A     1.156     0    0.023   1.291     9.315   79.286   50.952
LGA    I   140_A      I   140_A     1.335     0    0.030   1.278     4.345   83.690   70.952
LGA    G   141_A      G   141_A     1.008     0    0.072   0.072     1.221   83.690   83.690
LGA    Y   142_A      Y   142_A     0.298     0    0.029   1.246     9.363  100.000   58.889
LGA    A   143_A      A   143_A     0.300     0    0.040   0.034     0.450  100.000  100.000
LGA    M   144_A      M   144_A     0.367     0    0.063   1.161     5.155   95.238   74.940
LGA    N   145_A      N   145_A     0.335     0    0.065   1.126     3.870   92.976   84.821
LGA    E   146_A      E   146_A     1.916     0    0.152   0.936     4.080   69.048   63.651
LGA    D   147_A      D   147_A     2.054     0    0.065   0.146     3.475   70.833   62.262
LGA    V   148_A      V   148_A     1.078     0    0.082   1.079     3.895   85.952   78.639
LGA    T   149_A      T   149_A     0.472     0    0.043   1.134     2.603   90.595   82.109
LGA    F   150_A      F   150_A     0.893     0    0.033   0.089     1.440   85.952   83.074
LGA    S   151_A      S   151_A     0.969     0    0.072   0.273     1.537   90.476   86.032
LGA    Y   152_A      Y   152_A     0.562     0    0.111   1.268     8.036   88.214   57.937
LGA    N   153_A      N   153_A     0.510     0    0.184   0.985     4.028   90.595   76.786
LGA    N   154_A      N   154_A     0.277     0    0.122   0.175     0.534  100.000   98.810
LGA    V   155_A      V   155_A     0.969     0    0.101   1.178     3.478   92.857   82.245
LGA    Y   156_A      Y   156_A     0.734     0    0.055   0.135     3.843   88.214   67.738
LGA    M   157_A      M   157_A     2.414     0    0.111   1.069     6.715   58.214   48.810
LGA    I   158_A      I   158_A     6.577     0    0.601   0.613     9.371   13.333   12.083
LGA    E   159_A      E   159_A     9.147     0    0.446   1.039    15.190    4.048    1.799
LGA    A   160_A      A   160_A     8.312     0    0.072   0.087     8.622    6.190    5.905
LGA    E   161_A      E   161_A     7.614     0    0.475   0.926    15.085   16.071    7.302
LGA    T   162_A      T   162_A     0.977     0    0.610   1.344     4.112   80.357   67.619
LGA    M   163_A      M   163_A     0.820     0    0.052   0.865     3.630   90.476   77.202
LGA    D   164_A      D   164_A     0.194     0    0.042   0.851     3.118   97.619   83.810
LGA    H   165_A      H   165_A     0.570     0    0.065   1.213     5.898   92.857   67.810
LGA    E   166_A      E   166_A     1.193     0    0.203   0.701     3.762   85.952   68.571
LGA    L   167_A      L   167_A     0.324     0    0.085   0.255     1.358   97.619   94.107
LGA    R   168_A      R   168_A     0.357     0    0.087   0.956     5.883  100.000   76.710
LGA    A   169_A      A   169_A     0.348     0    0.035   0.074     0.620   97.619   96.190
LGA    T   170_A      T   170_A     0.547     0    0.083   0.106     1.074   92.857   89.252
LGA    W   171_A      W   171_A     1.241     0    0.190   0.364     3.180   83.690   64.830
LGA    T   172_A      T   172_A     2.778     0    0.307   0.342     3.955   55.833   53.401
LGA    R   173_A      R   173_A     3.734     0    0.598   1.409     8.162   34.524   33.723
LGA    Q   174_A      Q   174_A     3.738     0    0.349   1.057     9.739   46.667   28.836
LGA    G   175_A      G   175_A     3.302     0    0.618   0.618     3.424   50.000   50.000
LGA    V   176_A      V   176_A     3.879     0    0.069   0.105     5.821   46.667   37.959
LGA    Q   177_A      Q   177_A     2.374     0    0.155   1.185     4.358   59.167   61.958
LGA    P   178_A      P   178_A     1.849     0    0.033   0.103     2.319   72.976   70.612
LGA    Y   179_A      Y   179_A     1.030     0    0.071   0.121     2.540   83.690   75.238
LGA    F   180_A      F   180_A     0.353     0    0.030   1.293     6.831   95.238   64.156
LGA    E   181_A      E   181_A     0.783     0    0.023   0.604     3.559   92.857   74.392
LGA    F   182_A      F   182_A     0.627     0    0.110   0.385     1.382   95.238   89.740
LGA    R   183_A      R   183_A     0.622     0    0.017   1.461     5.442   88.214   66.840
LGA    S   184_A      S   184_A     0.554     0    0.146   0.700     2.435   92.857   87.778
LGA    Q   185_A      Q   185_A     1.170     0    0.044   1.080     5.187   85.952   67.513
LGA    A   186_A      A   186_A     2.740     0    0.578   0.555     5.001   64.881   57.143
LGA    H   187_A      H   187_A     3.663     0    0.087   1.151    12.386   44.167   19.810
LGA    G   188_A      G   188_A     2.987     0    0.157   0.157     5.492   44.405   44.405
LGA    A   189_A      A   189_A     7.451     0    0.035   0.044     8.695   11.786   10.381
LGA    E   190_A      E   190_A    12.139     0    0.657   1.101    16.098    0.000    0.000
LGA    N   191_A      N   191_A    17.545     0    0.383   1.012    21.472    0.000    0.000
LGA    A   192_A      A   192_A    18.310     0    0.632   0.588    20.678    0.000    0.000
LGA    A   193_A      A   193_A    21.308     0    0.094   0.088    23.149    0.000    0.000
LGA    G   194_A      G   194_A    18.809     0    0.329   0.329    19.242    0.000    0.000
LGA    D   195_A      D   195_A    14.177     0    0.077   0.877    16.003    0.000    0.000
LGA    S   196_A      S   196_A     8.356     0    0.076   0.097    10.546    5.476    7.302
LGA    L   197_A      L   197_A     5.982     0    0.199   1.347     9.982   24.286   15.714
LGA    V   198_A      V   198_A     1.654     0    0.484   0.499     5.020   72.976   58.912
LGA    N   199_A      N   199_A     0.239     0    0.072   1.111     2.868   95.238   83.393
LGA    N   200_A      N   200_A     1.179     0    0.028   0.152     1.901   77.143   78.214
LGA    A   201_A      A   201_A     1.629     0    0.062   0.102     1.698   79.286   78.000
LGA    F   202_A      F   202_A     0.978     0    0.056   1.121     5.692   88.214   63.853
LGA    V   203_A      V   203_A     1.079     0    0.125   0.244     2.252   88.214   81.701
LGA    F   204_A      F   204_A     1.048     0    0.109   1.312     6.783   81.429   56.234
LGA    G   205_A      G   205_A     1.981     0    0.025   0.025     2.115   70.833   70.833
LGA    A   206_A      A   206_A     2.717     0    0.018   0.028     3.162   55.476   55.810
LGA    S   207_A      S   207_A     3.704     0    0.038   0.675     5.035   45.000   41.587
LGA    Y   208_A      Y   208_A     4.820     0    0.061   1.265    10.868   30.238   19.563
LGA    G   209_A      G   209_A     5.731     0    0.025   0.025     5.955   22.619   22.619
LGA    F   210_A      F   210_A     6.258     0    0.234   0.257     6.369   17.143   19.481

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      145     580    580  100.00    1148   1148  100.00               210
SUMMARY(RMSD_GDC):    12.617         12.584                 12.864           29.356   25.101

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  145  210    4.0     76    1.97    32.024    27.232     3.665

LGA_LOCAL      RMSD:   1.974  Number of atoms:   76  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  12.708  Number of assigned atoms:  145 
Std_ASGN_ATOMS RMSD:  12.617  Standard rmsd on all 145 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.214504 * X  +  -0.601907 * Y  +  -0.769218 * Z  + 144.541183
  Y_new =   0.826193 * X  +   0.531871 * Y  +  -0.185793 * Z  + -83.086975
  Z_new =   0.520955 * X  +  -0.595669 * Y  +   0.611380 * Z  + 121.596725 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.316775 -0.547969 -0.772383   [DEG:   75.4456  -31.3963  -44.2543 ]
ZXZ: -1.333801  0.912993  2.423006   [DEG:  -76.4212   52.3107  138.8280 ]
 
# END of job
