
#######################################################
#                                                     #
#                        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  157 ( 1260),  selected  157 , name one
# Molecule2: number of CA atoms  349 ( 2768),  selected  157 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   111     279_A - 389_A       4.99    11.31
  LCS_AVERAGE:     23.71

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    66     324_A - 389_A       1.96    11.52
  LCS_AVERAGE:      9.42

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    51     339_A - 389_A       0.92    11.72
  LCS_AVERAGE:      6.06

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  157
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     D   233_B     D   233_A      4    5   11      2    3    4    9   16   20   31   46   53   61   68   72   82   95   97  102  105  108  109  111 
LCS_GDT     S   234_B     S   234_A      4    5   11      3    3    5    5    5    6    7    8    9   43   50   53   58   60   70   74   81   93   99  103 
LCS_GDT     P   235_B     P   235_A      4    5   11      3    3    4    4    5    6    7    8    9   10   10   12   47   52   57   58   62   71   76   81 
LCS_GDT     E   236_B     E   236_A      4    5   11      3    3    4    4   12   14   14   30   35   39   41   45   47   52   57   57   65   71   74   79 
LCS_GDT     H   237_B     H   237_A      3    5   11      3    3    3    4    5    6    9   13   20   27   33   38   43   47   51   57   65   71   75   81 
LCS_GDT     L   238_B     L   238_A      4    5   11      4    4    5    5    5    6    7   10   16   22   36   42   50   56   63   77   84   93   98  107 
LCS_GDT     L   239_B     L   239_A      4    5   11      4    4    5    5    6    6    7    8   11   40   59   72   88   89   97  102  105  108  109  111 
LCS_GDT     G   240_B     G   240_A      4    5   11      4    4    5    5    5    6    7    8    9   10   10   10   10   11   21   21   23   77   80   83 
LCS_GDT     Y   241_B     Y   241_A      4    6   11      4    4    5    5    6    6    7    8    9   10   10   10   10   11   13   15   16   16   25  105 
LCS_GDT     S   242_B     S   242_A      5    6   12      3    4    5    5    6    6    7    8    9   10   10   10   11   12   12   14   15   95  104  105 
LCS_GDT     R   243_B     R   243_A      5    6   14      4    4    5    5    6    6    7   48   56   64   81   84   87   95   99   99  102  106  110  112 
LCS_GDT     D   244_B     D   244_A      5    6   15      4    4    5    8    9   13   14   16   37   46   55   61   87   89   93   98  101  104  105  109 
LCS_GDT     L   245_B     L   245_A      5    6   15      4    4    5    5    6    8   11   20   27   49   63   79   87   89   93   98  103  106  110  112 
LCS_GDT     D   246_B     D   246_A      5    6   17      4    4    5    5    6    6    8   11   15   20   22   25   31   34   36   50   55   61   67   74 
LCS_GDT     T   247_B     T   247_A      4    4   17      3    3    4    4    5    6    7    9   10   13   15   16   16   34   38   47   59   65   75   83 
LCS_GDT     D   248_B     D   248_A      4    4   17      3    3    4    4    5    6    7    8   11   13   15   16   16   19   20   25   39   53   55   59 
LCS_GDT     V   249_B     V   249_A      4    4   17      3    3    4    4    5    6    8    9   11   13   16   19   20   22   26   32   41   53   64   83 
LCS_GDT     V   250_B     V   250_A      4    6   17      3    3    4    4    5    6    8    9   11   13   15   16   20   22   26   27   31   48   64   83 
LCS_GDT     I   251_B     I   251_A      5    7   17      3    5    5    7    7    7    9    9   13   13   15   24   31   34   44   47   48   53   55   84 
LCS_GDT     D   252_B     D   252_A      5    7   17      4    5    5    7    7    7    9   11   14   18   21   30   35   46   47   50   55   65   95  109 
LCS_GDT     K   253_B     K   253_A      5    7   17      4    5    5    7    7    7    9    9   14   16   20   23   35   42   44   47   48   62   65   71 
LCS_GDT     L   254_B     L   254_A      5    7   17      4    5    5    7    8    9    9   10   13   13   20   23   25   42   44   47   48   55   65   84 
LCS_GDT     K   255_B     K   255_A      5    7   17      4    5    5    7    8    9    9   10   14   18   22   37   41   49   58   62   68   88  104  109 
LCS_GDT     S   256_B     S   256_A      4    7   17      4    4    4    7    8    9    9   13   22   27   41   45   66   74   93   97  103  106  110  112 
LCS_GDT     A   257_B     A   257_A      4    7   17      4    4    4    7    8    9    9   10   13   13   15   24   31   41   44   50   55   97  104  109 
LCS_GDT     K   258_B     K   258_A      4    6   17      3    4    4    4    8    9    9   10   11   12   14   15   21   23   26   29   30   49   53   57 
LCS_GDT     T   259_B     T   259_A      4    6   17      3    4    4    5    8    9    9   10   11   12   14   15   21   23   26   29   30   35   36   49 
LCS_GDT     S   260_B     S   260_A      3    6   17      3    3    4    4    6    6    8    9   11   13   15   18   20   22   30   43   48   51   65   69 
LCS_GDT     I   261_B     I   261_A      3    6   17      3    3    4    4    6    6    8   12   13   19   22   27   32   41   50   61   70   72   90  109 
LCS_GDT     D   262_B     D   262_A      3    3   17      3    3    3    3    8   12   15   16   17   20   26   30   36   45   54   61   70   84  103  109 
LCS_GDT     I   263_B     I   263_A      3    3   14      3    3    3    3    9   12   17   22   23   35   40   45   64   71   80   99  103  106  110  112 
LCS_GDT     E   264_B     E   264_A      3    3   14      3    3    3    3    4    9   11   14   15   16   20   23   27   42   44   53   58   65   70   76 
LCS_GDT     H   265_B     H   265_A      3    4   14      3    3    3    4    5    6   11   14   14   16   18   21   24   27   31   36   42   48   51   53 
LCS_GDT     L   266_B     L   266_A      3    4   14      3    3    3    4    5    6    9   14   14   16   18   20   24   27   30   36   42   46   51   63 
LCS_GDT     A   267_B     A   267_A      3    5   14      3    3    5    5    6    6    9   12   14   16   18   20   23   26   35   36   46   54   58   63 
LCS_GDT     I   268_B     I   268_A      3    5   14      3    3    5    5    6    6    7    9   10   11   14   18   20   22   35   43   46   54   58   63 
LCS_GDT     V   269_B     V   269_A      3    5   14      3    3    5    5    6    6    7    9   10   11   13   17   18   20   20   24   30   34   37   48 
LCS_GDT     P   270_B     P   270_A      3    5   14      2    3    3    4    4    5    7    8   10   11   13   17   18   20   20   22   23   26   31   38 
LCS_GDT     T   271_B     T   271_A      3    5   14      3    3    5    5    6    6    7    9   10   11   13   17   18   20   20   22   23   26   27   29 
LCS_GDT     T   272_B     T   272_A      4    5   14      3    4    5    5    6    6    7    9   10   11   13   17   18   20   20   22   23   26   27   30 
LCS_GDT     R   273_B     R   273_A      4    5   14      3    4    4    5    6    6    7    9   10   11   12   14   18   18   20   23   27   29   33   36 
LCS_GDT     V   274_B     V   274_A      4    5   14      3    4    4    5    6    6    6    8   10   11   12   14   17   18   21   23   27   29   33   36 
LCS_GDT     D   275_B     D   275_A      4    5   14      3    4    4    5    7    8    8    9   11   12   14   16   20   20   21   23   27   29   33   36 
LCS_GDT     G   276_B     G   276_A      3    5   14      3    3    4    5    5    6    7    9   12   13   14   18   19   19   21   25   27   30   34   36 
LCS_GDT     N   277_B     N   277_A      4    5   14      3    4    4    5    7   10   12   12   14   15   18   20   22   25   26   28   32   34   38   44 
LCS_GDT     S   278_B     S   278_A      4    7   17      3    4    4    5    7   10   12   12   14   16   18   20   23   25   30   32   35   45   48   59 
LCS_GDT     Y   279_B     Y   279_A      4    7  111      2    4    5    5    7   10   12   14   14   16   18   22   27   30   40   47   53   66   76   87 
LCS_GDT     Y   280_B     Y   280_A      4    7  111      3    4    5    5    7   10   12   16   19   21   25   34   43   51   58   72   82   93  101  105 
LCS_GDT     W   281_B     W   281_A      4    7  111      3    4    5    5    7   10   12   16   36   46   55   64   77   85   93   94   97  108  109  112 
LCS_GDT     P   282_B     P   282_A      4    7  111      3    4    5    5    7   22   24   42   51   63   72   93   98   99  101  102  105  108  110  112 
LCS_GDT     D   283_B     D   283_A      4    7  111      3    4    5    8    9   24   27   44   56   70   83   92   96   98  101  102  105  108  110  112 
LCS_GDT     I   284_B     I   284_A      4    7  111      3    4    4    5    7   10   12   12   15   19   21   41   62   74   89   98  102  105  107  112 
LCS_GDT     Y   285_B     Y   285_A      4    4  111      3    4    4    4    6    9   15   18   19   27   44   82   85   97  100  101  103  107  110  112 
LCS_GDT     N   286_B     N   286_A      4    4  111      3    4    4    5   16   24   47   62   78   86   92   95   98   99  101  102  105  108  110  112 
LCS_GDT     S   287_B     S   287_A      3    3  111      3    4    4   14   18   24   47   62   78   86   92   95   98   99  101  102  105  108  110  112 
LCS_GDT     I   288_B     I   288_A      3    8  111      3    4    4    7   10   13   49   57   76   81   87   94   98   99  101  102  105  108  110  112 
LCS_GDT     I   289_B     I   289_A      6   15  111      3   18   43   61   73   77   79   82   85   88   92   95   98   99  101  102  105  108  110  112 
LCS_GDT     E   290_B     E   290_A      6   15  111     10   38   65   69   73   77   79   82   85   88   92   95   98   99  101  102  105  108  110  112 
LCS_GDT     A   291_B     A   291_A      6   15  111      5    5    7   37   73   77   79   82   85   88   92   95   98   99  101  102  105  108  110  112 
LCS_GDT     A   292_B     A   292_A      6   15  111      5    5    8   15   31   56   74   82   85   88   92   95   98   99  101  102  105  108  110  112 
LCS_GDT     I   293_B     I   293_A      6   15  111      5    5    7   15   23   59   78   82   85   88   92   95   98   99  101  102  105  108  110  112 
LCS_GDT     N   294_B     N   294_A     11   15  111      5   43   65   69   72   77   79   82   85   88   92   95   98   99  101  102  105  108  110  112 
LCS_GDT     R   295_B     R   295_A     11   15  111     11   52   65   69   73   77   79   82   85   88   92   95   98   99  101  102  105  108  110  112 
LCS_GDT     G   296_B     G   296_A     11   15  111     25   52   65   69   73   77   79   82   85   88   92   95   98   99  101  102  105  108  110  112 
LCS_GDT     V   297_B     V   297_A     11   15  111     25   52   65   69   73   77   79   82   85   88   92   95   98   99  101  102  105  108  110  112 
LCS_GDT     K   298_B     K   298_A     11   15  111     21   52   65   69   73   77   79   82   85   88   92   95   98   99  101  102  105  108  110  112 
LCS_GDT     I   299_B     I   299_A     11   15  111     25   52   65   69   73   77   79   82   85   88   92   95   98   99  101  102  105  108  110  112 
LCS_GDT     R   300_B     R   300_A     11   15  111     25   52   65   69   73   77   79   82   85   88   92   95   98   99  101  102  105  108  110  112 
LCS_GDT     L   301_B     L   301_A     11   15  111     25   52   65   69   73   77   79   82   85   88   92   95   98   99  101  102  105  108  110  112 
LCS_GDT     L   302_B     L   302_A     11   15  111     17   52   65   69   73   77   79   82   85   88   92   95   98   99  101  102  105  108  110  112 
LCS_GDT     V   303_B     V   303_A     11   15  111     10   48   65   69   73   77   79   82   85   88   92   95   98   99  101  102  105  108  110  112 
LCS_GDT     G   304_B     G   304_A     11   15  111      3   12   24   60   72   77   79   82   85   88   92   95   98   99  101  102  105  108  110  112 
LCS_GDT     N   305_B     N   305_A      5   13  111      3    4    8   19   24   36   47   77   83   88   92   95   98   99  101  102  105  108  110  112 
LCS_GDT     W   306_B     W   306_A      5   12  111      3    4    5    9   18   24   30   38   45   60   65   85   94   99  101  102  105  108  110  112 
LCS_GDT     D   307_B     D   307_A      5   11  111      3    4    5    7   11   14   17   25   32   40   45   53   58   72   90   99  102  106  109  111 
LCS_GDT     K   308_B     K   308_A      3    8  111      3    3    3    4    9   12   20   24   33   37   55   64   78   91   97  100  105  108  110  112 
LCS_GDT     N   309_B     N   309_A      7    8  111      4    7    7    8    9   12   17   22   30   37   55   65   79   91   97  100  105  108  110  112 
LCS_GDT     D   310_B     D   310_A      7    8  111      4    7    7    7    9   16   20   26   43   49   55   65   83   92  101  102  105  108  110  112 
LCS_GDT     V   311_B     V   311_A      7    8  111      5    7    7    8    9   12   17   22   23   33   39   54   68   80   92   99  103  108  110  112 
LCS_GDT     Y   312_B     Y   312_A      7    8  111      5    7    7    7    9   18   30   42   47   54   77   81   94   99  101  102  105  108  110  112 
LCS_GDT     S   313_B     S   313_A      7    8  111      5    7    7   11   28   47   65   78   83   88   92   95   98   99  101  102  105  108  110  112 
LCS_GDT     M   314_B     M   314_A      7    8  111      5    7    7    7   16   26   36   47   57   73   83   95   98   99  101  102  105  108  110  112 
LCS_GDT     A   315_B     A   315_A      7   13  111      5    7    8   13   19   28   39   47   61   74   87   95   98   99  101  102  105  108  110  112 
LCS_GDT     T   316_B     T   316_A     11   15  111      9   11   11   29   47   60   78   82   85   88   92   95   98   99  101  102  105  108  110  112 
LCS_GDT     A   317_B     A   317_A     11   15  111      9   11   11   11   63   70   79   82   85   88   92   95   98   99  101  102  105  108  110  112 
LCS_GDT     R   318_B     R   318_A     11   21  111      9   11   11   12   35   54   68   81   85   88   91   95   98   99  101  102  105  108  110  112 
LCS_GDT     S   319_B     S   319_A     11   21  111      9   11   17   27   40   53   67   77   85   88   92   95   98   99  101  102  105  108  110  112 
LCS_GDT     L   320_B     L   320_A     11   21  111      9   11   12   30   50   72   79   82   85   88   92   95   98   99  101  102  105  108  110  112 
LCS_GDT     D   321_B     D   321_A     11   21  111      9   11   11   28   48   65   79   82   85   88   92   95   98   99  101  102  105  108  110  112 
LCS_GDT     A   322_B     A   322_A     11   21  111      9   11   17   23   30   44   58   71   81   88   91   95   98   99  101  102  105  108  110  112 
LCS_GDT     L   323_B     L   323_A     11   21  111      9   11   11   13   24   40   53   70   83   88   92   95   98   99  101  102  105  108  110  112 
LCS_GDT     C   324_B     C   324_A     11   66  111      9   11   18   32   50   71   79   82   85   88   92   95   98   99  101  102  105  108  110  112 
LCS_GDT     V   325_B     V   325_A     11   66  111      4   11   17   22   37   51   65   72   83   88   92   95   98   99  101  102  105  108  110  112 
LCS_GDT     Q   326_B     Q   326_A     11   66  111      4   11   11   11   15   27   36   61   77   85   92   95   98   99  101  102  105  108  110  112 
LCS_GDT     N   327_B     N   327_A     13   66  111     10   30   52   67   73   77   79   82   85   88   92   95   98   99  101  102  105  108  110  112 
LCS_GDT     D   328_B     D   328_A     13   66  111     11   40   61   69   73   77   79   82   85   88   92   95   98   99  101  102  105  108  110  112 
LCS_GDT     L   329_B     L   329_A     13   66  111     17   52   65   69   73   77   79   82   85   88   92   95   98   99  101  102  105  108  110  112 
LCS_GDT     S   330_B     S   330_A     14   66  111     19   52   65   69   73   77   79   82   85   88   92   95   98   99  101  102  105  108  110  112 
LCS_GDT     V   331_B     V   331_A     14   66  111     19   52   65   69   73   77   79   82   85   88   92   95   98   99  101  102  105  108  110  112 
LCS_GDT     K   332_B     K   332_A     14   66  111     25   52   65   69   73   77   79   82   85   88   92   95   98   99  101  102  105  108  110  112 
LCS_GDT     V   333_B     V   333_A     14   66  111     24   52   65   69   73   77   79   82   85   88   92   95   98   99  101  102  105  108  110  112 
LCS_GDT     F   334_B     F   334_A     14   66  111      7   28   63   69   73   77   79   82   85   88   92   95   98   99  101  102  105  108  110  112 
LCS_GDT     T   335_B     T   335_A     14   66  111      7   24   57   69   73   77   79   82   85   88   92   95   98   99  101  102  105  108  110  112 
LCS_GDT     I   336_B     I   336_A     14   66  111      3   18   37   66   73   77   79   82   85   88   92   95   98   99  101  102  105  108  110  112 
LCS_GDT     Q   337_B     Q   337_A     14   66  111      3   16   29   42   69   77   78   82   85   88   92   95   98   99  101  102  105  108  110  112 
LCS_GDT     N   338_B     N   338_A     14   66  111      3   16   30   52   72   77   79   82   85   88   92   95   98   99  101  102  105  108  110  112 
LCS_GDT     N   339_B     N   339_A     51   66  111      3   22   46   67   73   77   79   82   85   88   92   95   98   99  101  102  105  108  110  112 
LCS_GDT     T   340_B     T   340_A     51   66  111     13   51   65   69   73   77   79   82   85   88   92   95   98   99  101  102  105  108  110  112 
LCS_GDT     K   341_B     K   341_A     51   66  111     25   52   65   69   73   77   79   82   85   88   92   95   98   99  101  102  105  108  110  112 
LCS_GDT     L   342_B     L   342_A     51   66  111     14   50   65   69   73   77   79   82   85   88   92   95   98   99  101  102  105  108  110  112 
LCS_GDT     L   343_B     L   343_A     51   66  111     25   52   65   69   73   77   79   82   85   88   92   95   98   99  101  102  105  108  110  112 
LCS_GDT     I   344_B     I   344_A     51   66  111     25   52   65   69   73   77   79   82   85   88   92   95   98   99  101  102  105  108  110  112 
LCS_GDT     V   345_B     V   345_A     51   66  111     25   52   65   69   73   77   79   82   85   88   92   95   98   99  101  102  105  108  110  112 
LCS_GDT     D   346_B     D   346_A     51   66  111     21   52   65   69   73   77   79   82   85   88   92   95   98   99  101  102  105  108  110  112 
LCS_GDT     D   347_B     D   347_A     51   66  111     21   52   65   69   73   77   79   82   85   88   92   95   98   99  101  102  105  108  110  112 
LCS_GDT     E   348_B     E   348_A     51   66  111     21   52   65   69   73   77   79   82   85   88   92   95   98   99  101  102  105  108  110  112 
LCS_GDT     Y   349_B     Y   349_A     51   66  111     25   52   65   69   73   77   79   82   85   88   92   95   98   99  101  102  105  108  110  112 
LCS_GDT     V   350_B     V   350_A     51   66  111     17   52   65   69   73   77   79   82   85   88   92   95   98   99  101  102  105  108  110  112 
LCS_GDT     H   351_B     H   351_A     51   66  111     25   52   65   69   73   77   79   82   85   88   92   95   98   99  101  102  105  108  110  112 
LCS_GDT     I   352_B     I   352_A     51   66  111     25   52   65   69   73   77   79   82   85   88   92   95   98   99  101  102  105  108  110  112 
LCS_GDT     T   353_B     T   353_A     51   66  111     25   52   65   69   73   77   79   82   85   88   92   95   98   99  101  102  105  108  110  112 
LCS_GDT     S   354_B     S   354_A     51   66  111      5   47   65   69   73   77   79   82   85   88   92   95   98   99  101  102  105  108  110  112 
LCS_GDT     A   355_B     A   355_A     51   66  111      4   33   61   69   73   77   79   82   85   88   92   95   98   99  101  102  105  108  110  112 
LCS_GDT     N   356_B     N   356_A     51   66  111     17   52   65   69   73   77   79   82   85   88   92   95   98   99  101  102  105  108  110  112 
LCS_GDT     F   357_B     F   357_A     51   66  111     15   51   65   69   73   77   79   82   85   88   92   95   98   99  101  102  105  108  110  112 
LCS_GDT     D   358_B     D   358_A     51   66  111     12   44   65   69   73   77   79   82   85   88   92   95   98   99  101  102  105  108  110  112 
LCS_GDT     G   359_B     G   359_A     51   66  111     18   52   65   69   73   77   79   82   85   88   92   95   98   99  101  102  105  108  110  112 
LCS_GDT     T   360_B     T   360_A     51   66  111      6   52   65   69   73   77   79   82   85   88   92   95   98   99  101  102  105  108  110  112 
LCS_GDT     H   361_B     H   361_A     51   66  111     13   52   65   69   73   77   79   82   85   88   92   95   98   99  101  102  105  108  110  112 
LCS_GDT     Y   362_B     Y   362_A     51   66  111     25   52   65   69   73   77   79   82   85   88   92   95   98   99  101  102  105  108  110  112 
LCS_GDT     Q   363_B     Q   363_A     51   66  111     19   52   65   69   73   77   79   82   85   88   92   95   98   99  101  102  105  108  110  112 
LCS_GDT     N   364_B     N   364_A     51   66  111      5   50   65   69   73   77   79   82   85   88   92   95   98   99  101  102  105  108  110  112 
LCS_GDT     H   365_B     H   365_A     51   66  111      3   40   65   69   73   77   79   82   85   88   92   95   98   99  101  102  105  108  110  112 
LCS_GDT     G   366_B     G   366_A     51   66  111     25   52   65   69   73   77   79   82   85   88   92   95   98   99  101  102  105  108  110  112 
LCS_GDT     F   367_B     F   367_A     51   66  111     21   49   65   69   73   77   79   82   85   88   92   95   98   99  101  102  105  108  110  112 
LCS_GDT     V   368_B     V   368_A     51   66  111     21   52   65   69   73   77   79   82   85   88   92   95   98   99  101  102  105  108  110  112 
LCS_GDT     S   369_B     S   369_A     51   66  111     25   52   65   69   73   77   79   82   85   88   92   95   98   99  101  102  105  108  110  112 
LCS_GDT     F   370_B     F   370_A     51   66  111     17   39   65   69   73   77   79   82   85   88   92   95   98   99  101  102  105  108  110  112 
LCS_GDT     N   371_B     N   371_A     51   66  111      4   27   65   69   73   77   79   82   85   88   92   95   98   99  101  102  105  108  110  112 
LCS_GDT     S   372_B     S   372_A     51   66  111     15   52   65   69   73   77   79   82   85   88   92   95   98   99  101  102  105  108  110  112 
LCS_GDT     I   373_B     I   373_A     51   66  111     25   52   65   69   73   77   79   82   85   88   92   95   98   99  101  102  105  108  110  112 
LCS_GDT     D   374_B     D   374_A     51   66  111     17   52   65   69   73   77   79   82   85   88   92   95   98   99  101  102  105  108  110  112 
LCS_GDT     K   375_B     K   375_A     51   66  111     21   52   65   69   73   77   79   82   85   88   92   95   98   99  101  102  105  108  110  112 
LCS_GDT     Q   376_B     Q   376_A     51   66  111     21   52   65   69   73   77   79   82   85   88   92   94   98   99  101  102  105  108  110  112 
LCS_GDT     L   377_B     L   377_A     51   66  111     21   52   65   69   73   77   79   82   85   88   92   95   98   99  101  102  105  108  110  112 
LCS_GDT     V   378_B     V   378_A     51   66  111     25   52   65   69   73   77   79   82   85   88   92   95   98   99  101  102  105  108  110  112 
LCS_GDT     S   379_B     S   379_A     51   66  111     25   52   65   69   73   77   79   82   85   88   92   95   98   99  101  102  105  108  110  112 
LCS_GDT     E   380_B     E   380_A     51   66  111     25   52   65   69   73   77   79   82   85   88   92   95   98   99  101  102  105  108  110  112 
LCS_GDT     A   381_B     A   381_A     51   66  111     25   52   65   69   73   77   79   82   85   88   92   95   98   99  101  102  105  108  110  112 
LCS_GDT     K   382_B     K   382_A     51   66  111     25   52   65   69   73   77   79   82   85   88   92   95   98   99  101  102  105  108  110  112 
LCS_GDT     K   383_B     K   383_A     51   66  111     25   52   65   69   73   77   79   82   85   88   92   95   98   99  101  102  105  108  110  112 
LCS_GDT     I   384_B     I   384_A     51   66  111     25   52   65   69   73   77   79   82   85   88   92   95   98   99  101  102  105  108  110  112 
LCS_GDT     F   385_B     F   385_A     51   66  111     25   52   65   69   73   77   79   82   85   88   92   95   98   99  101  102  105  108  110  112 
LCS_GDT     E   386_B     E   386_A     51   66  111     25   52   65   69   73   77   79   82   85   88   92   95   98   99  101  102  105  108  110  112 
LCS_GDT     R   387_B     R   387_A     51   66  111     20   52   65   69   73   77   79   82   85   88   92   95   98   99  101  102  105  108  110  112 
LCS_GDT     D   388_B     D   388_A     51   66  111     17   52   65   69   73   77   79   82   85   88   92   95   98   99  101  102  105  108  110  112 
LCS_GDT     W   389_B     W   389_A     51   66  111     18   52   65   69   73   77   79   82   85   88   92   95   98   99  101  102  105  108  110  112 
LCS_AVERAGE  LCS_A:  13.07  (   6.06    9.42   23.71 )

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     25     52     65     69     73     77     79     82     85     88     92     95     98     99    101    102    105    108    110    112 
GDT PERCENT_AT   7.16  14.90  18.62  19.77  20.92  22.06  22.64  23.50  24.36  25.21  26.36  27.22  28.08  28.37  28.94  29.23  30.09  30.95  31.52  32.09
GDT RMS_LOCAL    0.35   0.60   0.83   0.95   1.21   1.42   1.63   1.84   2.07   2.32   2.68   3.04   3.17   3.29   3.49   3.66   4.11   4.50   4.71   4.86
GDT RMS_ALL_AT  11.77  11.71  11.72  11.69  11.63  11.59  11.58  11.54  11.51  11.48  11.46  11.41  11.42  11.41  11.40  11.38  11.34  11.31  11.34  11.35

# Checking swapping
#   possible swapping detected:  D   233_B      D   233_A
#   possible swapping detected:  E   236_B      E   236_A
#   possible swapping detected:  Y   241_B      Y   241_A
#   possible swapping detected:  D   248_B      D   248_A
#   possible swapping detected:  D   252_B      D   252_A
#   possible swapping detected:  E   264_B      E   264_A
#   possible swapping detected:  D   275_B      D   275_A
#   possible swapping detected:  Y   279_B      Y   279_A
#   possible swapping detected:  Y   285_B      Y   285_A
#   possible swapping detected:  D   307_B      D   307_A
#   possible swapping detected:  Y   312_B      Y   312_A
#   possible swapping detected:  E   348_B      E   348_A
#   possible swapping detected:  Y   362_B      Y   362_A
#   possible swapping detected:  F   367_B      F   367_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    D   233_B      D   233_A    11.982     0    0.026   0.361    14.793    0.000    0.000
LGA    S   234_B      S   234_A    18.190     0    0.123   0.601    19.913    0.000    0.000
LGA    P   235_B      P   235_A    23.698     0    0.162   0.368    26.805    0.000    0.000
LGA    E   236_B      E   236_A    23.279     0    0.069   0.884    29.083    0.000    0.000
LGA    H   237_B      H   237_A    22.284     0    0.594   1.122    26.427    0.000    0.000
LGA    L   238_B      L   238_A    16.739     0    0.570   1.392    19.105    0.000    0.000
LGA    L   239_B      L   239_A    10.908     0    0.640   1.384    12.950    0.714    1.012
LGA    G   240_B      G   240_A    12.388     0    0.193   0.193    12.439    0.000    0.000
LGA    Y   241_B      Y   241_A    12.167     0    0.671   1.238    14.534    0.000    0.000
LGA    S   242_B      S   242_A    12.833     0    0.699   0.753    16.846    0.000    0.000
LGA    R   243_B      R   243_A    10.668     0    0.064   1.134    14.686    0.000    0.173
LGA    D   244_B      D   244_A    13.980     0    0.043   0.797    20.784    0.000    0.000
LGA    L   245_B      L   245_A    12.075     0    0.150   1.434    15.708    0.000    1.607
LGA    D   246_B      D   246_A    16.904     0    0.274   0.923    20.035    0.000    0.000
LGA    T   247_B      T   247_A    16.433     0    0.573   1.307    17.568    0.000    0.000
LGA    D   248_B      D   248_A    19.279     0    0.491   0.841    21.743    0.000    0.000
LGA    V   249_B      V   249_A    18.333     0    0.344   1.194    20.035    0.000    0.000
LGA    V   250_B      V   250_A    17.839     0    0.577   0.901    20.824    0.000    0.000
LGA    I   251_B      I   251_A    17.901     0    0.576   0.670    18.986    0.000    0.000
LGA    D   252_B      D   252_A    16.555     0    0.158   1.389    19.556    0.000    0.000
LGA    K   253_B      K   253_A    17.608     0    0.189   0.820    20.882    0.000    0.000
LGA    L   254_B      L   254_A    17.441     0    0.281   0.307    19.430    0.000    0.000
LGA    K   255_B      K   255_A    15.848     0    0.057   0.665    18.523    0.000    0.000
LGA    S   256_B      S   256_A    13.339     0    0.103   0.281    14.170    0.000    0.000
LGA    A   257_B      A   257_A    15.550     0    0.544   0.511    18.060    0.000    0.000
LGA    K   258_B      K   258_A    20.278     0    0.649   0.937    24.202    0.000    0.000
LGA    T   259_B      T   259_A    20.936     0    0.184   1.086    24.497    0.000    0.000
LGA    S   260_B      S   260_A    18.395     0    0.550   0.917    21.521    0.000    0.000
LGA    I   261_B      I   261_A    15.668     0    0.615   0.587    16.876    0.000    0.000
LGA    D   262_B      D   262_A    14.821     0    0.592   1.479    16.406    0.000    0.000
LGA    I   263_B      I   263_A    10.903     0    0.610   0.579    13.024    0.000    3.333
LGA    E   264_B      E   264_A    16.439     0    0.585   1.131    24.563    0.000    0.000
LGA    H   265_B      H   265_A    18.331     0    0.573   1.472    20.292    0.000    0.000
LGA    L   266_B      L   266_A    19.148     0    0.141   1.362    22.111    0.000    0.000
LGA    A   267_B      A   267_A    17.512     0    0.655   0.587    17.694    0.000    0.000
LGA    I   268_B      I   268_A    17.985     0    0.563   0.709    20.127    0.000    0.000
LGA    V   269_B      V   269_A    22.157     0    0.691   1.292    25.755    0.000    0.000
LGA    P   270_B      P   270_A    21.678     0    0.639   0.573    23.855    0.000    0.000
LGA    T   271_B      T   271_A    28.317     0    0.652   0.941    31.965    0.000    0.000
LGA    T   272_B      T   272_A    30.158     0    0.555   1.285    31.700    0.000    0.000
LGA    R   273_B      R   273_A    30.666     0    0.122   1.084    34.991    0.000    0.000
LGA    V   274_B      V   274_A    27.718     0    0.554   0.823    28.794    0.000    0.000
LGA    D   275_B      D   275_A    30.465     0    0.318   1.471    36.132    0.000    0.000
LGA    G   276_B      G   276_A    28.250     0    0.628   0.628    28.732    0.000    0.000
LGA    N   277_B      N   277_A    26.697     0    0.121   0.802    32.275    0.000    0.000
LGA    S   278_B      S   278_A    20.686     0    0.035   0.688    23.115    0.000    0.000
LGA    Y   279_B      Y   279_A    18.379     0    0.595   1.287    22.904    0.000    0.000
LGA    Y   280_B      Y   280_A    14.986     0    0.160   1.359    17.525    0.000    0.000
LGA    W   281_B      W   281_A    10.881     0    0.022   1.097    15.378    1.071    0.306
LGA    P   282_B      P   282_A     8.725     0    0.616   0.575    11.746    3.452    1.973
LGA    D   283_B      D   283_A     8.744     0    0.584   1.123    12.052    1.548    4.286
LGA    I   284_B      I   284_A    11.333     0    0.193   1.267    13.513    0.357    0.179
LGA    Y   285_B      Y   285_A     8.699     0    0.106   1.317    15.924    2.738    1.865
LGA    N   286_B      N   286_A     6.894     0    0.383   0.957     7.430   11.667   14.643
LGA    S   287_B      S   287_A     6.874     0    0.520   0.475     6.976   13.333   13.333
LGA    I   288_B      I   288_A     6.563     0    0.562   0.548    11.527   19.881   11.786
LGA    I   289_B      I   289_A     2.531     0    0.290   0.297     6.331   61.190   44.940
LGA    E   290_B      E   290_A     1.862     0    0.112   0.951    10.577   81.548   44.286
LGA    A   291_B      A   291_A     2.995     0    0.057   0.059     4.853   59.286   53.714
LGA    A   292_B      A   292_A     4.371     0    0.023   0.027     5.721   41.905   37.810
LGA    I   293_B      I   293_A     3.807     0    0.019   0.739     7.565   46.667   36.071
LGA    N   294_B      N   294_A     2.301     0    0.098   0.094     3.961   66.786   57.619
LGA    R   295_B      R   295_A     1.194     0    0.030   0.453     2.670   79.286   74.545
LGA    G   296_B      G   296_A     1.465     0    0.103   0.103     1.465   81.429   81.429
LGA    V   297_B      V   297_A     1.074     0    0.017   0.031     1.397   85.952   85.306
LGA    K   298_B      K   298_A     0.331     0    0.014   0.866     4.980   95.238   72.910
LGA    I   299_B      I   299_A     0.271     0    0.033   0.058     0.590  100.000   97.619
LGA    R   300_B      R   300_A     0.508     0    0.027   0.085     0.688   95.238   92.208
LGA    L   301_B      L   301_A     0.510     0    0.030   0.123     0.773   97.619   95.238
LGA    L   302_B      L   302_A     0.654     0    0.115   0.985     3.027   90.476   84.286
LGA    V   303_B      V   303_A     1.298     0    0.125   1.281     3.955   77.143   69.932
LGA    G   304_B      G   304_A     3.313     0    0.410   0.410     4.799   45.833   45.833
LGA    N   305_B      N   305_A     6.702     0    0.125   0.866    12.031   13.452    7.619
LGA    W   306_B      W   306_A    10.536     0    0.106   1.049    18.598    0.357    0.102
LGA    D   307_B      D   307_A    15.788     0    0.604   1.104    19.324    0.000    0.000
LGA    K   308_B      K   308_A    15.654     0    0.083   1.145    21.925    0.000    0.000
LGA    N   309_B      N   309_A    15.571     0    0.551   0.549    17.429    0.000    0.000
LGA    D   310_B      D   310_A    13.249     0    0.091   1.015    13.599    0.000    0.000
LGA    V   311_B      V   311_A    14.328     0    0.037   1.316    17.331    0.000    0.000
LGA    Y   312_B      Y   312_A    10.618     0    0.070   1.355    14.537    2.500    0.833
LGA    S   313_B      S   313_A     7.552     0    0.092   0.649     8.800    5.476    5.635
LGA    M   314_B      M   314_A    10.191     0    0.233   1.020    14.102    0.714    0.357
LGA    A   315_B      A   315_A     9.677     0    0.592   0.583    10.178    1.786    1.429
LGA    T   316_B      T   316_A     5.577     0    0.614   0.555     6.337   22.738   26.531
LGA    A   317_B      A   317_A     4.552     0    0.032   0.030     4.929   31.429   31.429
LGA    R   318_B      R   318_A     6.364     0    0.038   0.812    12.590   17.262    8.961
LGA    S   319_B      S   319_A     6.506     0    0.041   0.654     8.066   17.262   14.524
LGA    L   320_B      L   320_A     4.532     0    0.045   0.122     6.179   34.286   29.881
LGA    D   321_B      D   321_A     5.238     0    0.072   0.994     8.317   24.048   17.262
LGA    A   322_B      A   322_A     7.351     0    0.025   0.022     8.180   11.071    9.810
LGA    L   323_B      L   323_A     6.357     0    0.130   0.123     8.580   20.476   15.238
LGA    C   324_B      C   324_A     4.546     0    0.021   0.048     5.273   27.500   31.746
LGA    V   325_B      V   325_A     7.171     0    0.034   1.305     8.666   11.071    8.844
LGA    Q   326_B      Q   326_A     7.517     0    0.622   0.839    15.314   15.119    6.878
LGA    N   327_B      N   327_A     1.958     0    0.048   0.176     4.006   54.524   61.726
LGA    D   328_B      D   328_A     0.983     0    0.273   0.815     4.539   92.857   72.857
LGA    L   329_B      L   329_A     0.375     0    0.054   0.254     1.706   97.619   89.583
LGA    S   330_B      S   330_A     0.196     0    0.076   0.686     2.018  100.000   94.127
LGA    V   331_B      V   331_A     0.399     0    0.011   0.028     0.532   97.619   98.639
LGA    K   332_B      K   332_A     0.482     0    0.052   0.775     5.030  100.000   80.159
LGA    V   333_B      V   333_A     0.571     0    0.071   1.092     2.501   85.952   80.816
LGA    F   334_B      F   334_A     1.987     0    0.145   1.203     9.869   69.048   36.450
LGA    T   335_B      T   335_A     2.468     0    0.461   1.336     5.109   51.429   60.068
LGA    I   336_B      I   336_A     3.105     0    0.029   0.167     3.963   55.476   52.798
LGA    Q   337_B      Q   337_A     4.467     0    0.653   0.711     9.741   49.286   25.926
LGA    N   338_B      N   338_A     3.750     0    0.043   0.752     4.617   43.690   47.917
LGA    N   339_B      N   339_A     2.453     0    0.235   1.200     5.399   64.881   57.202
LGA    T   340_B      T   340_A     0.763     0    0.165   1.083     2.523   92.857   80.884
LGA    K   341_B      K   341_A     0.429     0    0.123   0.886     2.660   95.238   83.175
LGA    L   342_B      L   342_A     1.090     0    0.061   0.963     2.368   90.595   80.774
LGA    L   343_B      L   343_A     0.537     0    0.071   1.330     3.180   95.238   80.298
LGA    I   344_B      I   344_A     0.497     0    0.035   0.055     1.115  100.000   94.107
LGA    V   345_B      V   345_A     0.848     0    0.019   0.025     1.292   85.952   85.306
LGA    D   346_B      D   346_A     1.308     0    0.026   0.073     1.983   79.286   76.071
LGA    D   347_B      D   347_A     1.197     0    0.088   0.170     1.482   81.429   82.560
LGA    E   348_B      E   348_A     1.101     0    0.186   0.712     3.156   79.286   69.894
LGA    Y   349_B      Y   349_A     0.673     0    0.023   1.381    10.865   90.476   50.079
LGA    V   350_B      V   350_A     0.713     0    0.057   1.092     3.440   92.857   83.469
LGA    H   351_B      H   351_A     0.602     0    0.096   0.282     1.209   92.857   89.619
LGA    I   352_B      I   352_A     0.564     0    0.040   0.049     0.738   90.476   90.476
LGA    T   353_B      T   353_A     0.545     0    0.086   0.105     1.076   90.595   90.544
LGA    S   354_B      S   354_A     1.474     0    0.065   0.079     2.099   79.405   74.524
LGA    A   355_B      A   355_A     1.907     0    0.199   0.234     2.427   77.143   74.667
LGA    N   356_B      N   356_A     0.400     0    0.040   1.002     4.859   90.595   74.821
LGA    F   357_B      F   357_A     1.187     0    0.021   1.043     6.390   85.952   55.887
LGA    D   358_B      D   358_A     0.783     0    0.146   0.669     1.685   90.476   84.940
LGA    G   359_B      G   359_A     1.043     0    0.012   0.012     1.352   83.690   83.690
LGA    T   360_B      T   360_A     0.916     0    0.057   1.153     2.486   85.952   80.544
LGA    H   361_B      H   361_A     1.397     0    0.214   1.169     2.654   75.119   74.857
LGA    Y   362_B      Y   362_A     1.553     0    0.053   0.815     5.383   79.286   55.040
LGA    Q   363_B      Q   363_A     0.563     0    0.065   1.209     4.189   92.857   81.693
LGA    N   364_B      N   364_A     1.634     0    0.338   0.421     3.290   69.286   69.048
LGA    H   365_B      H   365_A     1.470     0    0.083   0.689     2.416   81.429   78.952
LGA    G   366_B      G   366_A     1.120     0    0.028   0.028     1.630   79.286   79.286
LGA    F   367_B      F   367_A     2.091     0    0.072   1.365     5.034   72.976   59.004
LGA    V   368_B      V   368_A     1.415     0    0.024   0.220     1.890   77.143   76.531
LGA    S   369_B      S   369_A     0.599     0    0.104   0.638     2.540   90.476   84.921
LGA    F   370_B      F   370_A     1.603     0    0.033   1.277     6.654   81.548   55.022
LGA    N   371_B      N   371_A     1.774     0    0.047   0.973     5.600   70.833   57.024
LGA    S   372_B      S   372_A     0.993     0    0.061   0.091     1.864   90.595   84.683
LGA    I   373_B      I   373_A     0.781     0    0.016   0.203     1.411   85.952   85.952
LGA    D   374_B      D   374_A     1.656     0    0.067   0.532     3.775   77.143   71.369
LGA    K   375_B      K   375_A     1.535     0    0.022   0.765     4.731   75.000   61.111
LGA    Q   376_B      Q   376_A     1.710     0    0.054   1.436     7.235   75.000   53.757
LGA    L   377_B      L   377_A     1.473     0    0.024   1.351     3.081   79.286   73.274
LGA    V   378_B      V   378_A     0.932     0    0.023   0.028     1.197   88.214   89.184
LGA    S   379_B      S   379_A     1.194     0    0.033   0.644     1.580   81.429   81.508
LGA    E   380_B      E   380_A     1.265     0    0.035   0.974     4.266   81.429   68.783
LGA    A   381_B      A   381_A     0.917     0    0.047   0.055     1.102   88.214   88.667
LGA    K   382_B      K   382_A     0.739     0    0.045   1.058     2.174   90.476   83.704
LGA    K   383_B      K   383_A     0.849     0    0.043   1.233     6.037   90.476   70.053
LGA    I   384_B      I   384_A     0.813     0    0.020   0.641     2.104   90.476   86.131
LGA    F   385_B      F   385_A     0.345     0    0.058   0.092     0.691  100.000   97.403
LGA    E   386_B      E   386_A     0.287     0    0.018   0.274     1.162  100.000   95.820
LGA    R   387_B      R   387_A     0.363     0    0.050   0.119     0.654   95.238   94.805
LGA    D   388_B      D   388_A     0.776     0    0.128   0.155     1.528   92.857   87.202
LGA    W   389_B      W   389_A     0.623     0    0.573   0.513     2.261   84.048   90.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      157     628    628  100.00    1260   1260  100.00               349
SUMMARY(RMSD_GDC):    11.038         10.989                 11.575           19.386   17.492

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  157  349    4.0     82    1.84    21.848    19.405     4.217

LGA_LOCAL      RMSD:   1.844  Number of atoms:   82  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  11.539  Number of assigned atoms:  157 
Std_ASGN_ATOMS RMSD:  11.038  Standard rmsd on all 157 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.100436 * X  +   0.931241 * Y  +   0.350289 * Z  + -58.365959
  Y_new =  -0.037896 * X  +   0.348234 * Y  +  -0.936641 * Z  +   7.450410
  Z_new =  -0.994222 * X  +  -0.107347 * Y  +   0.000315 * Z  +  65.677818 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.780792  1.463242 -1.567859   [DEG: -159.3277   83.8376  -89.8317 ]
ZXZ:  0.357880  1.570481 -1.678351   [DEG:   20.5050   89.9819  -96.1624 ]
 
# END of job
