
#######################################################
#                                                     #
#                        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  133 ( 1004),  selected  133 , name one
# Molecule2: number of CA atoms  218 ( 1643),  selected  133 , 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:   102      72_A - 173_A       4.98    11.22
  LCS_AVERAGE:     37.78

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    40      95_A - 134_A       1.99    11.92
  LCS_AVERAGE:     10.85

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    21      96_A - 116_A       0.76    11.97
  LONGEST_CONTINUOUS_SEGMENT:    21     144_A - 164_A       0.91    12.72
  LCS_AVERAGE:      5.00

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  133
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     I    41_A     I    41_A      6    8   10      5    6    6    7    7   11   13   54   63   79   87   91   98  100  101  102  103  104  107  107 
LCS_GDT     F    42_A     F    42_A      6    8   10      5    6    6    9   12   21   33   43   52   70   91   96   99  100  101  102  103  105  107  107 
LCS_GDT     Y    43_A     Y    43_A      6    8   17      5    6    6    9   17   21   35   57   69   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     P    44_A     P    44_A      6    8   17      5    6    6   13   20   27   35   45   71   90   92   96   99  100  101  102  103  105  107  107 
LCS_GDT     G    45_A     G    45_A      6    8   17      5    6    6    8   20   24   30   36   45   62   85   94   99  100  101  102  103  105  107  107 
LCS_GDT     G    46_A     G    46_A      6    8   17      4    6    6    7   20   24   47   59   80   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     R    47_A     R    47_A      4    8   17      3    4    5    7    8    9   12   14   25   31   36   40   47   63   94   96  103  104  107  107 
LCS_GDT     V    48_A     V    48_A      4    8   17      3    4    5    7    8    9   21   24   34   38   79   84   90   92   97   99  102  105  107  107 
LCS_GDT     D    49_A     D    49_A      4    7   17      3    5    9   12   16   19   25   32   40   67   79   87   90   93   97   99  102  105  107  107 
LCS_GDT     P    50_A     P    50_A      4    7   17      3    4    5    7    9   18   26   46   54   72   82   87   91   94   96   99  102  105  107  107 
LCS_GDT     R    51_A     R    51_A      4    7   17      3    4    5    7    8    9   15   21   35   44   54   65   69   83   90   93   97   98  101  103 
LCS_GDT     A    52_A     A    52_A      3    7   17      3    3    4    6    6    8   12   14   22   30   38   48   61   66   72   86   95   98  100  100 
LCS_GDT     Y    53_A     Y    53_A      5    7   19      5    5    5    7    8    9   12   14   19   26   33   42   53   62   71   78   89   97  100  100 
LCS_GDT     A    54_A     A    54_A      5    6   19      5    5    5    6    6    8   10   12   16   19   23   28   31   41   51   59   64   71   78   86 
LCS_GDT     P    55_A     P    55_A      5    6   19      5    5    5    6    6    9   10   12   16   18   23   28   30   36   46   57   63   69   76   84 
LCS_GDT     Q    56_A     Q    56_A      5    6   19      5    5    5    7    8    9   10   14   16   19   23   28   30   36   42   47   56   67   73   84 
LCS_GDT     A    57_A     A    57_A      5    6   19      5    5    5    5    6    9   12   14   15   17   18   20   23   36   40   45   48   55   61   64 
LCS_GDT     R    58_A     R    58_A      3    5   19      3    3    5    5    7    9   12   14   16   19   23   28   30   36   42   47   52   58   62   70 
LCS_GDT     A    59_A     A    59_A      3    5   19      3    3    5    5    6    8    9   12   14   19   23   28   30   36   40   45   52   58   64   72 
LCS_GDT     I    60_A     I    60_A      3    5   19      3    3    5    5    6    8    9   11   14   18   23   28   30   36   40   45   51   58   62   70 
LCS_GDT     A    61_A     A    61_A      3    4   19      3    3    3    3    5    5    6   12   16   18   23   28   31   36   47   54   63   69   76   84 
LCS_GDT     E    62_A     E    62_A      3    7   19      3    3    3    4    8   11   13   16   18   22   22   26   31   39   50   57   63   69   76   84 
LCS_GDT     Q    63_A     Q    63_A      5    7   19      3    4    5    5    8   11   13   16   18   22   22   25   30   36   42   47   52   58   61   70 
LCS_GDT     G    64_A     G    64_A      5    7   19      4    4    5    7    8   11   13   16   18   22   22   25   30   35   42   47   52   58   61   64 
LCS_GDT     F    65_A     F    65_A      5    7   19      4    4    5    7    8   11   13   16   18   22   22   25   30   35   42   47   52   58   61   64 
LCS_GDT     L    66_A     L    66_A      5    7   19      4    4    5    7    8   11   13   16   18   22   22   25   30   35   42   47   52   58   61   64 
LCS_GDT     V    67_A     V    67_A      5    7   19      4    4    5    7    8   11   13   16   18   22   22   25   30   35   42   47   52   58   61   64 
LCS_GDT     V    68_A     V    68_A      4    7   19      3    4    4    4    8   11   13   14   17   19   21   24   27   34   36   38   41   43   48   62 
LCS_GDT     I    69_A     I    69_A      4    6   19      3    4    4    5    8   11   11   13   18   22   22   25   27   34   36   43   52   57   61   62 
LCS_GDT     T    70_A     T    70_A      4    5   19      3    4    4    4    5    8    9   11   13   16   17   24   27   28   31   38   41   43   48   50 
LCS_GDT     P    71_A     P    71_A      5    5   19      4    5    5    5    5    6    9   11   13   16   17   20   23   34   36   38   52   57   61   64 
LCS_GDT     M    72_A     M    72_A      5    5  102      4    5    5    5    5    5    9   11   13   16   21   28   33   44   50   55   63   69   73   80 
LCS_GDT     P    73_A     P    73_A      5    5  102      4    5    5    5    5    6    9   11   14   16   23   29   33   36   42   54   61   69   76   88 
LCS_GDT     L    74_A     L    74_A      6    8  102      4    5    6    7   10   11   12   13   14   16   20   24   27   33   57   67   76   85   91   94 
LCS_GDT     N    75_A     N    75_A      6    8  102      4    5    6    7    8   10   14   24   35   48   55   68   77   81   87   92   97   98  101  104 
LCS_GDT     L    76_A     L    76_A      6    8  102      4    5    6    7    8   10   11   14   25   28   50   72   76   80   85   92   99  101  104  106 
LCS_GDT     A    77_A     A    77_A      6    8  102      4    5    6    7    8   18   27   52   63   77   84   87   92   95   98   99  102  105  107  107 
LCS_GDT     V    78_A     V    78_A      6   12  102      4    5    6   29   43   65   74   81   85   89   92   93   97  100  101  102  103  105  107  107 
LCS_GDT     F    79_A     F    79_A      6   13  102      3    5    6   32   47   68   76   81   87   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     D    80_A     D    80_A      4   13  102      3   13   25   45   61   72   76   82   87   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     A    81_A     A    81_A     10   13  102      3    5    8   13   48   62   76   82   87   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     D    82_A     D    82_A     10   13  102      3    4   10   14   36   61   73   82   87   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     R    83_A     R    83_A     10   13  102      3    9   23   51   61   71   76   82   87   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     A    84_A     A    84_A     10   13  102      7    9   17   52   63   72   76   82   87   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     S    85_A     S    85_A     10   13  102      7    9   17   49   63   72   76   82   87   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     E    86_A     E    86_A     10   13  102      7    9   47   53   63   72   76   82   87   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     V    87_A     V    87_A     10   13  102      7    9   27   52   63   72   76   82   87   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     M    88_A     M    88_A     10   13  102      7    9   17   43   60   72   76   82   87   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     A    89_A     A    89_A     10   13  102      7    9   17   44   63   72   76   82   87   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     A    90_A     A    90_A     10   13  102      7    9   35   52   63   72   76   82   87   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     F    91_A     F    91_A     10   13  102      5    9   10   22   44   65   76   82   87   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     P    92_A     P    92_A      4   12  102      3    4   35   51   63   72   76   82   87   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     E    93_A     E    93_A      4    5  102      3    4    4    5   28   51   64   80   87   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     I    94_A     I    94_A      4   35  102      3    4    4   21   31   45   61   71   81   88   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     E    95_A     E    95_A      4   40  102      3    4    5    9   45   65   76   82   87   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     H    96_A     H    96_A     21   40  102     12   21   32   52   63   72   76   82   87   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     W    97_A     W    97_A     21   40  102     12   21   38   53   63   72   76   82   87   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     V    98_A     V    98_A     21   40  102     13   21   47   53   63   72   76   82   87   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     I    99_A     I    99_A     21   40  102     13   37   47   53   63   72   76   82   87   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     G   100_A     G   100_A     21   40  102     13   37   47   53   63   72   76   82   87   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     G   101_A     G   101_A     21   40  102     15   37   47   53   63   72   76   82   87   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     H   102_A     H   102_A     21   40  102     15   37   47   53   63   72   76   82   87   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     S   103_A     S   103_A     21   40  102     15   37   47   53   63   72   76   82   87   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     L   104_A     L   104_A     21   40  102     15   37   47   53   63   72   76   82   87   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     G   105_A     G   105_A     21   40  102     15   37   47   53   63   72   76   82   87   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     G   106_A     G   106_A     21   40  102     15   37   47   53   63   72   76   82   87   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     A   107_A     A   107_A     21   40  102     13   37   47   53   63   72   76   82   87   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     M   108_A     M   108_A     21   40  102     13   37   47   53   63   72   76   82   87   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     A   109_A     A   109_A     21   40  102     14   37   47   53   63   72   76   82   87   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     A   110_A     A   110_A     21   40  102     13   37   47   53   63   72   76   82   87   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     N   111_A     N   111_A     21   40  102     13   29   47   53   63   72   76   82   87   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     F   112_A     F   112_A     21   40  102     13   32   47   53   63   72   76   82   87   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     A   113_A     A   113_A     21   40  102     15   37   47   53   63   72   76   82   87   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     H   114_A     H   114_A     21   40  102      5   21   43   51   63   72   76   82   87   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     N   115_A     N   115_A     21   40  102      5   19   30   51   63   72   76   82   87   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     H   116_A     H   116_A     21   40  102      5   21   41   52   63   72   76   82   87   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     I   117_A     I   117_A      5   40  102      3    5   16   49   57   65   75   81   87   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     G   118_A     G   118_A      4   40  102      3    4   19   49   59   72   76   82   87   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     A   119_A     A   119_A      9   40  102      3    9   41   49   61   72   76   82   87   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     V   120_A     V   120_A      9   40  102     13   37   47   53   63   72   76   82   87   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     E   121_A     E   121_A      9   40  102      5   17   38   51   60   71   76   81   87   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     G   122_A     G   122_A      9   40  102     13   37   47   53   63   72   76   82   87   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     V   123_A     V   123_A      9   40  102     12   37   47   53   63   72   76   82   87   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     V   124_A     V   124_A      9   40  102     12   37   47   53   63   72   76   82   87   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     F   125_A     F   125_A     10   40  102     12   37   47   53   63   72   76   82   87   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     W   126_A     W   126_A     10   40  102     11   37   47   53   63   72   76   82   87   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     A   127_A     A   127_A     10   40  102     15   37   47   53   63   72   76   82   87   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     A   128_A     A   128_A     10   40  102     10   37   47   53   63   72   76   82   87   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     Y   129_A     Y   129_A     10   40  102      4   16   35   49   62   72   76   82   87   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     P   130_A     P   130_A     10   40  102      6    9   24   49   59   72   76   82   87   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     A   131_A     A   131_A     10   40  102      6    9   19   44   59   72   76   82   87   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     Q   132_A     Q   132_A     10   40  102      6    9   19   33   57   69   76   82   87   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     S   133_A     S   133_A     10   40  102      3    7   15   28   47   64   76   81   87   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     D   134_A     D   134_A     10   40  102      3    9   19   31   47   67   76   82   87   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     S   135_A     S   135_A      3   14  102      3    3   10   14   46   55   70   80   87   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     L   136_A     L   136_A      4   14  102      4   15   23   31   52   65   74   82   87   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     A   137_A     A   137_A      4   14  102      4   12   25   42   53   65   74   82   87   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     D   138_A     D   138_A      4    6  102      4    5   13   28   39   54   64   73   81   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     R   139_A     R   139_A      4    6  102      4    4   10   14   23   54   64   73   81   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     D   140_A     D   140_A      4    6  102      3    4    9   15   37   54   64   73   81   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     D   141_A     D   141_A      5   17  102      3    4    9   10   17   20   26   42   61   78   86   94   97   99  101  102  103  105  107  107 
LCS_GDT     L   142_A     L   142_A      5   27  102      3    8   19   25   39   56   69   78   87   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     T   143_A     T   143_A      5   31  102      3   14   23   32   50   65   74   82   87   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     V   144_A     V   144_A     21   31  102      8   33   47   53   63   72   76   82   87   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     Y   145_A     Y   145_A     21   31  102      6   37   47   53   63   72   76   82   87   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     S   146_A     S   146_A     21   31  102     11   37   47   53   63   72   76   82   87   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     I   147_A     I   147_A     21   31  102     13   37   47   53   63   72   76   82   87   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     Y   148_A     Y   148_A     21   31  102     11   37   47   53   63   72   76   82   87   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     G   149_A     G   149_A     21   31  102     11   37   47   53   63   72   76   82   87   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     T   150_A     T   150_A     21   31  102     11   37   47   53   63   72   76   82   87   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     L   151_A     L   151_A     21   31  102     15   37   47   53   63   72   76   82   87   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     D   152_A     D   152_A     21   31  102     15   37   47   53   63   72   76   82   87   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     G   153_A     G   153_A     21   31  102     15   37   47   53   63   72   76   82   87   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     L   154_A     L   154_A     21   31  102     11   33   47   53   63   72   76   82   87   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     A   155_A     A   155_A     21   31  102     11   33   47   53   63   72   76   82   87   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     T   156_A     T   156_A     21   31  102      7   15   46   53   63   72   76   82   87   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     P   157_A     P   157_A     21   31  102      7   33   47   53   63   72   76   82   87   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     D   158_A     D   158_A     21   31  102      8   37   47   53   63   72   76   82   87   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     K   159_A     K   159_A     21   31  102      7   37   47   53   63   72   76   82   87   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     I   160_A     I   160_A     21   31  102      8   37   47   53   63   72   76   82   87   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     E   161_A     E   161_A     21   31  102      7   37   47   53   63   72   76   82   87   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     A   162_A     A   162_A     21   31  102     15   37   47   53   63   72   76   82   87   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     S   163_A     S   163_A     21   31  102     15   37   47   53   63   72   76   82   87   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     R   164_A     R   164_A     21   31  102      4   10   34   53   63   72   76   82   87   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     A   165_A     A   165_A      6   31  102      4   18   28   44   60   72   76   82   87   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     L   166_A     L   166_A      6   31  102      4    6   15   29   57   72   76   82   87   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     L   167_A     L   167_A      6   31  102      3   19   46   53   63   72   76   82   87   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     P   168_A     P   168_A      6   31  102      3    3   18   26   56   72   76   82   87   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     A   169_A     A   169_A      5   31  102      5    9   45   53   63   72   76   82   87   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     T   170_A     T   170_A      5   31  102      5   18   41   53   63   72   76   82   87   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     A   171_A     A   171_A      5   31  102      8   36   47   53   63   72   76   82   87   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     R   172_A     R   172_A      5   31  102     15   37   47   53   63   72   76   82   87   90   93   96   99  100  101  102  103  105  107  107 
LCS_GDT     F   173_A     F   173_A      5   31  102     15   37   47   53   63   72   76   82   87   90   93   96   99  100  101  102  103  105  107  107 
LCS_AVERAGE  LCS_A:  17.88  (   5.00   10.85   37.78 )

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     15     37     47     53     63     72     76     82     87     90     93     96     99    100    101    102    103    105    107    107 
GDT PERCENT_AT   6.88  16.97  21.56  24.31  28.90  33.03  34.86  37.61  39.91  41.28  42.66  44.04  45.41  45.87  46.33  46.79  47.25  48.17  49.08  49.08
GDT RMS_LOCAL    0.36   0.67   0.89   1.07   1.44   1.77   1.87   2.20   2.36   2.51   2.80   2.98   3.18   3.20   3.29   3.37   3.49   3.94   4.07   4.07
GDT RMS_ALL_AT  12.61  12.52  12.36  12.28  12.05  11.95  11.95  12.06  12.01  12.05  12.26  12.33  12.33  12.25  12.28  12.30  12.30  11.81  11.86  11.86

# Checking swapping
#   possible swapping detected:  F    42_A      F    42_A
#   possible swapping detected:  Y    43_A      Y    43_A
#   possible swapping detected:  D    49_A      D    49_A
#   possible swapping detected:  Y    53_A      Y    53_A
#   possible swapping detected:  E    62_A      E    62_A
#   possible swapping detected:  F    91_A      F    91_A
#   possible swapping detected:  E    93_A      E    93_A
#   possible swapping detected:  E   121_A      E   121_A
#   possible swapping detected:  Y   129_A      Y   129_A
#   possible swapping detected:  D   140_A      D   140_A
#   possible swapping detected:  D   141_A      D   141_A
#   possible swapping detected:  F   173_A      F   173_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    I    41_A      I    41_A     6.827     0    0.384   0.420     9.862    7.738   11.071
LGA    F    42_A      F    42_A     6.992     0    0.096   1.209    14.928   23.333    9.134
LGA    Y    43_A      Y    43_A     6.652     0    0.047   0.794    13.686    9.881    3.730
LGA    P    44_A      P    44_A     6.802     0    0.076   0.208     7.075   15.476   18.299
LGA    G    45_A      G    45_A     8.850     0    0.164   0.164     8.850    5.000    5.000
LGA    G    46_A      G    46_A     6.490     0    0.604   0.604     8.029   10.476   10.476
LGA    R    47_A      R    47_A    10.097     0    0.050   1.498    18.799    1.190    0.433
LGA    V    48_A      V    48_A    11.833     0    0.188   1.178    13.458    0.357    0.204
LGA    D    49_A      D    49_A    13.060     0    0.110   1.116    16.516    0.000    0.000
LGA    P    50_A      P    50_A    12.312     0    0.695   0.596    16.983    0.000    0.068
LGA    R    51_A      R    51_A    18.612     0    0.677   1.450    22.497    0.000    0.000
LGA    A    52_A      A    52_A    20.826     0    0.678   0.615    21.729    0.000    0.000
LGA    Y    53_A      Y    53_A    20.862     0    0.597   1.057    24.821    0.000    0.000
LGA    A    54_A      A    54_A    26.905     0    0.035   0.051    29.928    0.000    0.000
LGA    P    55_A      P    55_A    27.961     0    0.073   0.103    30.098    0.000    0.000
LGA    Q    56_A      Q    56_A    27.508     0    0.665   1.171    30.541    0.000    0.000
LGA    A    57_A      A    57_A    31.547     0    0.586   0.563    33.780    0.000    0.000
LGA    R    58_A      R    58_A    33.328     0    0.353   1.347    43.233    0.000    0.000
LGA    A    59_A      A    59_A    32.506     0    0.672   0.637    32.895    0.000    0.000
LGA    I    60_A      I    60_A    30.546     0    0.627   0.626    31.025    0.000    0.000
LGA    A    61_A      A    61_A    27.782     0    0.632   0.605    29.403    0.000    0.000
LGA    E    62_A      E    62_A    27.219     0    0.610   1.090    28.701    0.000    0.000
LGA    Q    63_A      Q    63_A    28.883     0    0.700   1.004    34.512    0.000    0.000
LGA    G    64_A      G    64_A    28.425     0    0.168   0.168    28.817    0.000    0.000
LGA    F    65_A      F    65_A    27.615     0    0.156   1.164    28.015    0.000    0.000
LGA    L    66_A      L    66_A    29.556     0    0.578   1.436    31.396    0.000    0.000
LGA    V    67_A      V    67_A    27.141     0    0.136   1.072    29.433    0.000    0.000
LGA    V    68_A      V    68_A    25.579     0    0.157   0.242    26.501    0.000    0.000
LGA    I    69_A      I    69_A    25.102     0    0.068   1.180    29.325    0.000    0.000
LGA    T    70_A      T    70_A    24.585     0    0.620   0.875    26.653    0.000    0.000
LGA    P    71_A      P    71_A    26.284     0    0.718   0.676    29.533    0.000    0.000
LGA    M    72_A      M    72_A    21.512     0    0.023   0.633    22.658    0.000    0.000
LGA    P    73_A      P    73_A    22.022     0    0.030   0.352    22.232    0.000    0.000
LGA    L    74_A      L    74_A    20.371     0    0.676   1.240    22.261    0.000    0.000
LGA    N    75_A      N    75_A    15.314     0    0.092   0.984    16.753    0.000    0.000
LGA    L    76_A      L    76_A    14.156     0    0.127   1.323    19.565    0.000    0.000
LGA    A    77_A      A    77_A    10.249     0    0.155   0.156    11.826    3.690    2.952
LGA    V    78_A      V    78_A     5.850     0    0.632   0.849     8.463   21.548   16.327
LGA    F    79_A      F    79_A     4.532     0    0.496   1.198     9.659   25.595   18.225
LGA    D    80_A      D    80_A     3.533     0    0.385   0.886     7.509   51.905   35.595
LGA    A    81_A      A    81_A     3.931     0    0.559   0.506     5.311   37.500   35.238
LGA    D    82_A      D    82_A     4.173     0    0.093   1.102     9.117   41.786   27.500
LGA    R    83_A      R    83_A     2.867     0    0.056   1.291     9.341   55.357   37.965
LGA    A    84_A      A    84_A     2.342     0    0.072   0.073     2.616   64.762   63.238
LGA    S    85_A      S    85_A     2.433     0    0.049   0.658     4.764   64.762   57.937
LGA    E    86_A      E    86_A     1.852     0    0.047   1.150     5.015   72.857   58.677
LGA    V    87_A      V    87_A     2.162     0    0.031   0.081     3.032   66.786   62.721
LGA    M    88_A      M    88_A     2.865     0    0.026   1.260     9.687   57.262   39.107
LGA    A    89_A      A    89_A     2.447     0    0.066   0.066     2.447   64.762   64.762
LGA    A    90_A      A    90_A     1.935     0    0.061   0.062     2.895   62.976   64.952
LGA    F    91_A      F    91_A     4.273     0    0.297   0.355    13.150   52.262   20.606
LGA    P    92_A      P    92_A     2.401     0    0.712   0.604     5.177   58.333   50.068
LGA    E    93_A      E    93_A     5.396     0    0.682   0.904     9.143   26.071   15.767
LGA    I    94_A      I    94_A     6.752     0    0.618   0.745    12.379   19.524   11.607
LGA    E    95_A      E    95_A     4.078     0    0.031   1.284     9.558   45.833   27.302
LGA    H    96_A      H    96_A     3.091     0    0.499   1.426     9.797   55.476   28.667
LGA    W    97_A      W    97_A     2.592     0    0.070   1.071     6.737   60.952   39.320
LGA    V    98_A      V    98_A     2.041     0    0.044   0.104     2.634   68.810   67.143
LGA    I    99_A      I    99_A     1.143     0    0.053   1.319     3.837   85.952   75.952
LGA    G   100_A      G   100_A     0.824     0    0.052   0.052     1.393   85.952   85.952
LGA    G   101_A      G   101_A     1.025     0    0.045   0.045     1.025   88.214   88.214
LGA    H   102_A      H   102_A     1.220     0    0.090   0.928     4.190   81.429   70.905
LGA    S   103_A      S   103_A     1.051     0    0.054   0.619     2.633   81.429   78.889
LGA    L   104_A      L   104_A     1.275     0    0.040   1.405     4.534   81.429   66.488
LGA    G   105_A      G   105_A     1.246     0    0.041   0.041     1.328   81.429   81.429
LGA    G   106_A      G   106_A     1.064     0    0.035   0.035     1.078   83.690   83.690
LGA    A   107_A      A   107_A     1.079     0    0.023   0.044     1.107   81.429   83.238
LGA    M   108_A      M   108_A     1.149     0    0.041   0.699     4.810   81.429   66.488
LGA    A   109_A      A   109_A     1.142     0    0.047   0.047     1.183   83.690   83.238
LGA    A   110_A      A   110_A     1.335     0    0.020   0.038     1.500   81.429   81.429
LGA    N   111_A      N   111_A     1.452     0    0.036   1.003     4.546   79.286   67.143
LGA    F   112_A      F   112_A     1.058     0    0.060   0.242     1.572   81.429   83.939
LGA    A   113_A      A   113_A     1.714     0    0.070   0.068     2.053   70.952   69.714
LGA    H   114_A      H   114_A     3.011     0    0.030   1.322     9.888   57.262   31.476
LGA    N   115_A      N   115_A     2.670     0    0.340   0.349     3.668   57.500   53.810
LGA    H   116_A      H   116_A     1.173     0    0.529   1.267     3.487   79.286   70.810
LGA    I   117_A      I   117_A     3.991     0    0.245   1.368    11.099   39.524   21.964
LGA    G   118_A      G   118_A     2.588     0    0.092   0.092     3.891   57.619   57.619
LGA    A   119_A      A   119_A     3.157     0    0.026   0.043     4.105   53.810   50.476
LGA    V   120_A      V   120_A     1.398     0    0.029   1.108     2.800   69.048   69.796
LGA    E   121_A      E   121_A     3.698     0    0.244   0.533     8.166   53.690   32.011
LGA    G   122_A      G   122_A     1.595     0    0.095   0.095     2.294   70.833   70.833
LGA    V   123_A      V   123_A     1.215     0    0.059   0.140     1.996   85.952   82.789
LGA    V   124_A      V   124_A     0.162     0    0.153   0.166     0.609   97.619   95.918
LGA    F   125_A      F   125_A     0.142     0    0.028   0.209     2.096   95.238   86.710
LGA    W   126_A      W   126_A     0.952     0    0.041   0.296     4.614   90.476   65.476
LGA    A   127_A      A   127_A     0.762     0    0.051   0.070     0.929   90.476   90.476
LGA    A   128_A      A   128_A     0.712     0    0.034   0.071     1.678   83.810   85.143
LGA    Y   129_A      Y   129_A     2.174     0    0.052   0.408     3.386   68.810   61.746
LGA    P   130_A      P   130_A     2.581     0    0.029   0.204     2.630   59.048   63.810
LGA    A   131_A      A   131_A     3.083     0    0.059   0.066     3.393   51.786   51.429
LGA    Q   132_A      Q   132_A     3.453     0    0.586   1.173     6.489   43.690   36.243
LGA    S   133_A      S   133_A     4.631     0    0.188   0.727     6.644   34.286   28.651
LGA    D   134_A      D   134_A     3.819     0    0.578   0.637     4.965   40.357   44.405
LGA    S   135_A      S   135_A     4.961     0    0.622   0.555     8.325   42.143   31.111
LGA    L   136_A      L   136_A     4.513     0    0.364   1.407     5.112   30.119   37.024
LGA    A   137_A      A   137_A     4.510     0    0.040   0.049     5.870   26.429   28.571
LGA    D   138_A      D   138_A     7.794     0    0.348   1.010    11.398    9.405    5.119
LGA    R   139_A      R   139_A     7.447     0    0.517   1.367     8.406    7.262   13.203
LGA    D   140_A      D   140_A     7.666     0    0.624   1.282     9.532    4.881    8.333
LGA    D   141_A      D   141_A     8.929     0    0.528   1.196     9.984    5.476    4.107
LGA    L   142_A      L   142_A     5.494     0    0.200   1.352     6.505   22.976   36.726
LGA    T   143_A      T   143_A     4.611     0    0.195   1.085     6.799   37.738   31.701
LGA    V   144_A      V   144_A     0.900     0    0.204   1.048     2.899   86.071   75.918
LGA    Y   145_A      Y   145_A     0.727     0    0.047   1.026     5.823   90.476   67.381
LGA    S   146_A      S   146_A     0.704     0    0.140   0.568     2.274   88.214   84.683
LGA    I   147_A      I   147_A     1.175     0    0.066   0.104     2.227   83.690   76.250
LGA    Y   148_A      Y   148_A     1.466     0    0.014   1.341     8.000   77.143   54.286
LGA    G   149_A      G   149_A     1.654     0    0.034   0.034     1.654   77.143   77.143
LGA    T   150_A      T   150_A     1.717     0    0.118   0.113     2.279   75.000   70.612
LGA    L   151_A      L   151_A     0.934     0    0.223   0.960     4.250   81.548   72.917
LGA    D   152_A      D   152_A     0.829     0    0.056   0.245     0.832   90.476   90.476
LGA    G   153_A      G   153_A     0.789     0    0.138   0.138     0.960   90.476   90.476
LGA    L   154_A      L   154_A     0.803     0    0.028   1.111     3.507   88.214   80.119
LGA    A   155_A      A   155_A     1.026     0    0.129   0.142     1.654   81.548   83.333
LGA    T   156_A      T   156_A     1.985     0    0.058   1.255     4.452   72.857   66.735
LGA    P   157_A      P   157_A     1.596     0    0.060   0.402     3.323   75.000   68.571
LGA    D   158_A      D   158_A     1.842     0    0.030   1.045     6.165   72.857   54.524
LGA    K   159_A      K   159_A     1.652     0    0.033   0.721     2.423   77.143   74.868
LGA    I   160_A      I   160_A     1.056     0    0.022   1.742     3.935   85.952   73.929
LGA    E   161_A      E   161_A     0.920     0    0.018   0.916     5.764   88.214   66.931
LGA    A   162_A      A   162_A     1.122     0    0.078   0.087     1.432   83.690   83.238
LGA    S   163_A      S   163_A     0.914     0    0.220   0.760     2.444   90.476   86.190
LGA    R   164_A      R   164_A     2.110     0    0.034   1.684     5.448   66.786   47.835
LGA    A   165_A      A   165_A     3.497     0    0.076   0.074     4.229   48.571   46.286
LGA    L   166_A      L   166_A     3.258     0    0.266   1.057     4.861   47.143   48.095
LGA    L   167_A      L   167_A     1.387     0    0.675   1.609     4.301   79.286   70.833
LGA    P   168_A      P   168_A     3.294     0    0.160   0.422     7.458   57.857   40.612
LGA    A   169_A      A   169_A     2.639     0    0.644   0.637     4.518   63.214   56.857
LGA    T   170_A      T   170_A     2.542     0    0.463   1.350     4.474   57.262   53.333
LGA    A   171_A      A   171_A     1.574     0    0.117   0.108     1.894   75.000   76.286
LGA    R   172_A      R   172_A     0.398     0    0.158   0.907     2.948   97.619   76.277
LGA    F   173_A      F   173_A     0.419     0    0.045   1.407     6.166   95.238   68.312

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      133     532    532  100.00    1004   1004  100.00               218
SUMMARY(RMSD_GDC):     9.725          9.692                 10.350           28.863   25.695

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  133  218    4.0     82    2.20    31.422    27.927     3.570

LGA_LOCAL      RMSD:   2.197  Number of atoms:   82  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  12.064  Number of assigned atoms:  133 
Std_ASGN_ATOMS RMSD:   9.725  Standard rmsd on all 133 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.428828 * X  +  -0.074462 * Y  +   0.900312 * Z  +  -3.664471
  Y_new =  -0.892683 * X  +  -0.118029 * Y  +  -0.434956 * Z  +  33.789318
  Z_new =   0.138650 * X  +  -0.990214 * Y  +  -0.015857 * Z  +  54.548847 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.018626 -0.139098 -1.586808   [DEG: -115.6587   -7.9697  -90.9174 ]
ZXZ:  1.120746  1.586654  3.002477   [DEG:   64.2140   90.9086  172.0293 ]
 
# END of job
