
#######################################################
#                                                     #
#                        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  124 (  978),  selected  124 , name one
# Molecule2: number of CA atoms  375 ( 3019),  selected  124 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    52     301_B - 352_B       4.86    11.19
  LCS_AVERAGE:     10.94

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    19     244_B - 262_B       1.96    13.61
  LONGEST_CONTINUOUS_SEGMENT:    19     305_B - 323_B       2.00    12.03
  LCS_AVERAGE:      3.49

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    11     243_B - 253_B       0.90    15.12
  LONGEST_CONTINUOUS_SEGMENT:    11     333_B - 343_B       0.63    28.19
  LONGEST_CONTINUOUS_SEGMENT:    11     334_B - 344_B       0.98    28.63
  LCS_AVERAGE:      2.00

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  124
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     K   229_B     K   229_B      4   12   43      4    5   11   26   34   37   46   54   63   71   78   82   83   85   87   88   91   93   95   97 
LCS_GDT     T   230_B     T   230_B      4   12   43      4    5    5    9   21   32   44   50   59   71   78   82   83   85   87   88   91   93   95   97 
LCS_GDT     G   231_B     G   231_B      8   12   43      9   22   26   33   39   47   53   58   67   72   78   82   83   85   87   88   91   93   95   97 
LCS_GDT     A   232_B     A   232_B      8   12   43     14   22   26   33   39   47   53   58   67   72   78   82   83   85   87   88   91   93   95   97 
LCS_GDT     R   233_B     R   233_B      8   12   43     14   22   26   33   39   47   53   58   67   72   78   82   83   85   87   88   91   93   95   97 
LCS_GDT     F   234_B     F   234_B      8   12   43     14   22   26   33   39   47   53   58   67   72   78   82   83   85   87   88   91   93   95   97 
LCS_GDT     M   235_B     M   235_B      8   12   43     14   22   26   33   39   47   53   58   67   72   78   82   83   85   87   88   91   93   95   97 
LCS_GDT     T   236_B     T   236_B      8   12   43     14   22   26   33   39   47   53   58   67   72   78   82   83   85   87   88   91   93   95   97 
LCS_GDT     I   237_B     I   237_B      8   12   43     14   22   26   33   39   47   53   58   67   72   78   82   83   85   87   88   91   93   95   97 
LCS_GDT     G   238_B     G   238_B      8   12   43     13   22   26   33   39   47   53   58   67   72   78   82   83   85   87   88   91   93   95   97 
LCS_GDT     S   239_B     S   239_B      4   12   43      3    3    9   13   30   37   42   49   59   71   78   82   83   85   87   88   91   93   95   97 
LCS_GDT     E   240_B     E   240_B      4   12   43      5   16   26   31   38   47   53   58   67   72   78   82   83   85   87   88   91   93   95   97 
LCS_GDT     N   241_B     N   241_B      3   11   43      3    3    3   10   15   21   29   45   66   72   78   82   83   85   87   88   91   93   95   97 
LCS_GDT     D   242_B     D   242_B      3   12   43      3    3    9   18   26   39   47   57   66   72   78   82   83   85   87   88   91   93   95   97 
LCS_GDT     D   243_B     D   243_B     11   18   43      6    9   10   14   18   24   48   58   67   72   78   82   83   85   87   88   91   93   95   97 
LCS_GDT     I   244_B     I   244_B     11   19   43      8    9   11   23   35   47   53   58   67   72   78   82   83   85   87   88   91   93   95   97 
LCS_GDT     A   245_B     A   245_B     11   19   43      8    9   11   20   34   47   53   58   67   72   78   82   83   85   87   88   91   93   95   97 
LCS_GDT     F   246_B     F   246_B     11   19   43      8    9   11   15   35   47   53   58   67   72   78   82   83   85   87   88   91   93   95   97 
LCS_GDT     M   247_B     M   247_B     11   19   43      8    9   26   33   39   47   53   58   67   72   78   82   83   85   87   88   91   93   95   97 
LCS_GDT     G   248_B     G   248_B     11   19   43      8   14   23   33   39   47   53   58   67   72   78   82   83   85   87   88   91   93   95   97 
LCS_GDT     M   249_B     M   249_B     11   19   43      8   14   26   33   39   47   53   58   67   72   78   82   83   85   87   88   91   93   95   97 
LCS_GDT     V   250_B     V   250_B     11   19   43      8   16   26   33   39   44   52   58   67   72   78   82   83   85   87   88   91   93   95   97 
LCS_GDT     E   251_B     E   251_B     11   19   43      8    9   11   26   37   43   48   58   67   72   78   82   83   85   87   88   91   93   95   97 
LCS_GDT     S   252_B     S   252_B     11   19   43      4   13   23   33   39   43   51   58   67   72   78   82   83   85   87   88   91   93   95   97 
LCS_GDT     V   253_B     V   253_B     11   19   43      4    8   16   31   39   43   51   58   67   72   78   82   83   85   87   88   91   93   95   97 
LCS_GDT     G   254_B     G   254_B     10   19   43      4   14   26   33   39   47   53   58   67   72   78   82   83   85   87   88   91   93   95   97 
LCS_GDT     A   255_B     A   255_B     10   19   43     14   22   26   33   39   47   53   58   67   72   78   82   83   85   87   88   91   93   95   97 
LCS_GDT     T   256_B     T   256_B     10   19   43     14   22   26   33   39   47   53   58   67   72   78   82   83   85   87   88   91   93   95   97 
LCS_GDT     I   257_B     I   257_B     10   19   43     14   22   26   33   39   47   53   58   67   72   78   82   83   85   87   88   91   93   95   97 
LCS_GDT     V   258_B     V   258_B     10   19   43     14   22   26   33   39   47   53   58   67   72   78   82   83   85   87   88   91   93   95   97 
LCS_GDT     I   259_B     I   259_B     10   19   43      6   22   26   33   39   47   53   58   67   72   78   82   83   85   87   88   91   93   95   97 
LCS_GDT     D   260_B     D   260_B     10   19   43      5   22   26   33   39   47   53   58   67   72   78   82   83   85   87   88   91   93   95   97 
LCS_GDT     D   261_B     D   261_B     10   19   43     13   22   26   33   39   47   53   58   67   72   78   82   83   85   87   88   91   93   95   97 
LCS_GDT     Q   262_B     Q   262_B      9   19   43      4   21   26   33   39   47   53   58   67   72   78   82   83   85   87   88   91   93   95   97 
LCS_GDT     C   263_B     C   263_B      5   18   43      4    5   15   28   35   43   53   58   67   72   78   82   83   85   87   88   91   93   95   97 
LCS_GDT     S   264_B     S   264_B      5    5   43      4    5    6    7    8    8    9   15   37   54   58   67   80   83   87   88   89   91   92   95 
LCS_GDT     G   265_B     G   265_B      5    5   43      3    5    6    7    8    8    9   11   19   25   44   62   71   81   84   88   89   90   92   95 
LCS_GDT     S   266_B     S   266_B      3    5   43      3    3    4    5    6    9   20   35   57   71   78   80   83   85   87   88   89   91   93   96 
LCS_GDT     R   267_B     R   267_B      3    5   43      3   20   26   33   39   47   53   58   67   72   78   82   83   85   87   88   91   93   95   97 
LCS_GDT     Y   268_B     Y   268_B      3    5   43      3    3    4    6    6   15   34   43   49   53   63   66   81   84   87   88   91   93   95   97 
LCS_GDT     F   269_B     F   269_B      3    5   43      3    3    4    4    5    6   14   25   43   48   55   61   70   75   84   88   91   93   95   97 
LCS_GDT     W   270_B     W   270_B      4    5   43      3    5    5    6   10   12   16   22   33   46   51   60   70   75   79   86   91   93   95   97 
LCS_GDT     N   271_B     N   271_B      4    5   43      3    5    5    6    9   11   15   19   21   25   31   35   42   56   64   71   79   83   87   90 
LCS_GDT     A   272_B     A   272_B      5    6   15      3    5    5    6    9   11   12   18   19   21   24   27   30   31   34   39   40   46   58   64 
LCS_GDT     S   273_B     S   273_B      5    6   15      3    5    5    6    6    9   10   12   19   21   24   25   30   31   34   39   40   42   53   57 
LCS_GDT     K   274_B     K   274_B      5    6   15      3    4    5    5    5    7    8    9   13   14   18   22   23   27   30   35   36   49   53   57 
LCS_GDT     P   275_B     P   275_B      5    6   16      3    4    5    5    5    7    8    8   10   11   14   17   20   25   28   31   34   40   43   51 
LCS_GDT     E   276_B     E   276_B      5    6   16      3    4    5    5    5    7    8    8   10   11   14   17   20   25   28   31   34   40   43   51 
LCS_GDT     G   277_B     G   277_B      5   11   16      3    4    5    5    5    7   10   12   12   12   13   15   19   21   26   29   29   33   37   44 
LCS_GDT     D   278_B     D   278_B     10   11   16      8    9   10   10   11   11   11   12   12   12   14   17   20   25   28   31   34   40   43   48 
LCS_GDT     V   279_B     V   279_B     10   11   16      8    9   10   10   11   11   11   12   12   12   13   14   19   25   27   34   36   47   53   71 
LCS_GDT     I   280_B     I   280_B     10   11   16      8    9   10   10   11   11   11   12   12   12   12   14   18   22   26   29   31   34   40   48 
LCS_GDT     K   281_B     K   281_B     10   11   16      8    9   10   10   11   11   11   12   12   12   14   17   21   25   28   34   35   40   44   55 
LCS_GDT     A   282_B     A   282_B     10   11   16      8    9   10   10   11   11   11   12   12   24   29   33   42   47   54   58   71   77   82   85 
LCS_GDT     I   283_B     I   283_B     10   11   17      8    9   10   10   11   11   11   12   12   12   19   36   47   58   66   74   83   86   88   92 
LCS_GDT     A   284_B     A   284_B     10   11   20      8    9   10   10   11   11   11   12   12   12   15   24   37   45   53   62   71   79   84   88 
LCS_GDT     E   285_B     E   285_B     10   11   20      8    9   10   10   11   12   18   20   22   27   38   44   52   59   62   66   72   76   82   85 
LCS_GDT     R   286_B     R   286_B     10   11   20      4    9   10   10   11   13   23   33   40   49   54   65   69   75   79   82   86   90   94   97 
LCS_GDT     Y   287_B     Y   287_B     10   11   20      3    4   10   13   17   25   33   44   53   61   67   73   80   83   87   88   91   93   95   97 
LCS_GDT     C   288_B     C   288_B      5   11   20      3    4   10   13   14   16   23   33   43   53   61   66   71   76   80   84   88   92   95   97 
LCS_GDT     D   289_B     D   289_B      3    5   20      3    3    3    5   10   12   23   33   40   49   54   60   69   75   79   82   88   92   95   97 
LCS_GDT     R   290_B     R   290_B      3    6   20      3    3    5    6   11   13   21   33   42   50   62   68   73   78   84   88   91   93   95   97 
LCS_GDT     P   291_B     P   291_B      3    6   20      3    4   11   17   24   29   35   42   52   62   70   78   81   84   87   88   91   93   95   97 
LCS_GDT     A   292_B     A   292_B      3    6   20      3    3    4    5    8   17   23   27   30   40   50   53   63   72   79   86   88   92   94   97 
LCS_GDT     C   293_B     C   293_B      3    6   20      3    3    4    6    6   10   14   18   20   25   29   38   40   43   48   56   67   76   87   89 
LCS_GDT     P   294_B     P   294_B      4    6   20      3    4    4    6    6    9    9   10   14   15   18   21   25   31   33   39   42   44   54   58 
LCS_GDT     T   295_B     T   295_B      4    6   20      3    4    4    6    6    9   10   11   14   15   18   21   25   31   33   36   40   43   50   55 
LCS_GDT     K   296_B     K   296_B      4    5   20      3    4    4    6    6    6   10   11   13   15   18   21   25   31   33   36   40   43   50   55 
LCS_GDT     D   297_B     D   297_B      4    5   20      3    4    4    6    6    7    8   10   13   15   15   19   23   31   33   36   40   43   50   55 
LCS_GDT     Y   298_B     Y   298_B      3    6   20      3    3    4    5    5    9   10   12   13   15   18   21   25   31   33   39   40   49   54   58 
LCS_GDT     P   299_B     P   299_B      4    6   20      3    3    4    5    6    7    8    9   12   13   16   19   22   25   28   30   33   37   41   43 
LCS_GDT     A   300_B     A   300_B      4    6   23      3    3    4    5    6    7    8    9   11   13   18   21   23   27   37   44   49   57   63   72 
LCS_GDT     H   301_B     H   301_B      4    6   52      3    3    4    5    6   11   13   15   20   28   31   41   47   51   56   67   75   83   89   93 
LCS_GDT     T   302_B     T   302_B      4    6   52      2    3    6   11   15   22   28   36   40   45   54   65   78   83   84   88   91   93   95   97 
LCS_GDT     R   303_B     R   303_B      4    6   52      4    5    5    8   17   28   35   40   51   62   76   79   83   84   87   88   91   93   95   97 
LCS_GDT     F   304_B     F   304_B      4   11   52      4    5    5    5   11   16   23   30   38   48   66   72   79   83   87   88   91   93   95   97 
LCS_GDT     D   305_B     D   305_B     10   19   52      6    9   12   19   28   36   39   52   66   72   78   82   83   85   87   88   91   93   95   97 
LCS_GDT     H   306_B     H   306_B     10   19   52      7    9   18   27   35   40   52   58   67   72   78   82   83   85   87   88   91   93   95   97 
LCS_GDT     V   307_B     V   307_B     10   19   52      7   14   26   33   39   47   53   58   67   72   78   82   83   85   87   88   91   93   95   97 
LCS_GDT     L   308_B     L   308_B     10   19   52      7    9   11   21   35   42   53   58   67   72   78   82   83   85   87   88   91   93   95   97 
LCS_GDT     G   309_B     G   309_B     10   19   52      7    9   18   30   35   47   53   58   67   72   78   82   83   85   87   88   91   93   95   97 
LCS_GDT     M   310_B     M   310_B     10   19   52      7   13   26   33   39   47   53   58   67   72   78   82   83   85   87   88   91   93   95   97 
LCS_GDT     A   311_B     A   311_B     10   19   52      7    9   14   32   38   47   53   58   67   72   78   82   83   85   87   88   91   93   95   97 
LCS_GDT     K   312_B     K   312_B     10   19   52      7    9   14   30   36   47   53   58   67   72   78   82   83   85   87   88   91   93   95   97 
LCS_GDT     E   313_B     E   313_B     10   19   52      7   12   26   33   39   47   53   58   67   72   78   82   83   85   87   88   91   93   95   97 
LCS_GDT     Y   314_B     Y   314_B     10   19   52      4   10   26   33   39   47   53   58   67   72   78   82   83   85   87   88   91   93   95   97 
LCS_GDT     N   315_B     N   315_B     10   19   52     13   22   26   33   39   47   53   58   67   72   78   82   83   85   87   88   91   93   95   97 
LCS_GDT     V   316_B     V   316_B     10   19   52     14   22   26   33   39   47   53   58   67   72   78   82   83   85   87   88   91   93   95   97 
LCS_GDT     E   317_B     E   317_B     10   19   52     14   22   26   33   39   47   53   58   67   72   78   82   83   85   87   88   91   93   95   97 
LCS_GDT     G   318_B     G   318_B     10   19   52     14   22   26   33   39   47   53   58   67   72   78   82   83   85   87   88   91   93   95   97 
LCS_GDT     A   319_B     A   319_B     10   19   52     14   22   26   33   39   47   53   58   67   72   78   82   83   85   87   88   91   93   95   97 
LCS_GDT     I   320_B     I   320_B     10   19   52     14   22   26   33   39   47   53   58   67   72   78   82   83   85   87   88   91   93   95   97 
LCS_GDT     F   321_B     F   321_B     10   19   52      5   22   26   33   39   47   53   58   67   72   78   82   83   85   87   88   91   93   95   97 
LCS_GDT     L   322_B     L   322_B     10   19   52      5   17   26   33   39   47   53   58   67   72   78   82   83   85   87   88   91   93   95   97 
LCS_GDT     Q   323_B     Q   323_B     10   19   52      4    5   14   26   34   47   53   58   67   72   78   82   83   85   87   88   91   93   95   97 
LCS_GDT     Q   324_B     Q   324_B      6   18   52      4    7   16   23   34   47   53   58   67   72   78   82   83   85   87   88   91   93   95   97 
LCS_GDT     K   325_B     K   325_B      5   16   52      4    5    9   12   17   33   37   47   63   72   78   82   83   85   87   88   91   93   95   97 
LCS_GDT     F   326_B     F   326_B      5   16   52      3    8   14   22   30   36   46   53   63   72   78   82   83   85   87   88   91   93   95   97 
LCS_GDT     C   327_B     C   327_B      4   16   52      3    4    4   22   30   35   46   52   63   72   78   82   83   85   87   88   91   93   95   97 
LCS_GDT     D   328_B     D   328_B      4   16   52      3    4    7   18   30   40   51   58   67   72   78   82   83   85   87   88   91   93   95   97 
LCS_GDT     P   329_B     P   329_B      4    8   52      3    4    4    5    6    9   11   14   21   70   78   81   83   85   87   88   90   93   95   97 
LCS_GDT     H   330_B     H   330_B      4   14   52      3    4    4    6    8   11   14   15   17   22   45   73   81   85   87   88   89   93   95   97 
LCS_GDT     E   331_B     E   331_B      7   15   52      4    8   11   18   33   45   53   58   67   72   78   82   83   85   87   88   91   93   95   97 
LCS_GDT     G   332_B     G   332_B      7   15   52      4    4    7   26   39   47   53   58   67   72   78   82   83   85   87   88   91   93   95   97 
LCS_GDT     D   333_B     D   333_B     11   15   52      4   10   11   28   37   42   47   51   59   72   77   82   83   85   87   88   91   93   95   97 
LCS_GDT     Y   334_B     Y   334_B     11   15   52      7   10   12   21   35   47   53   58   67   72   78   82   83   85   87   88   91   93   95   97 
LCS_GDT     P   335_B     P   335_B     11   15   52      6   10   16   25   32   42   53   58   67   72   78   82   83   85   87   88   91   93   95   97 
LCS_GDT     D   336_B     D   336_B     11   15   52      7   10   11   12   13   26   41   52   60   72   78   82   83   85   87   88   91   93   95   97 
LCS_GDT     L   337_B     L   337_B     11   15   52      7   14   23   33   39   44   51   58   66   72   78   82   83   85   87   88   91   93   95   97 
LCS_GDT     K   338_B     K   338_B     11   15   52      7   10   11   13   17   41   51   58   67   72   78   82   83   85   87   88   91   93   95   97 
LCS_GDT     R   339_B     R   339_B     11   15   52      7   10   15   23   32   37   47   57   67   72   78   82   83   85   87   88   91   93   95   97 
LCS_GDT     H   340_B     H   340_B     11   15   52      7   10   11   28   39   47   53   58   67   72   78   82   83   85   87   88   91   93   95   97 
LCS_GDT     L   341_B     L   341_B     11   15   52      5   10   11   12   13   15   28   55   64   71   78   82   83   85   87   88   91   93   95   97 
LCS_GDT     E   342_B     E   342_B     11   15   52      7   10   11   13   17   23   39   48   56   69   78   82   83   85   87   88   91   93   95   97 
LCS_GDT     E   343_B     E   343_B     11   15   52      7   10   14   22   32   36   47   58   67   72   78   82   83   85   87   88   91   93   95   97 
LCS_GDT     N   344_B     N   344_B     11   15   52      4    4   16   24   33   47   53   58   67   72   78   82   83   85   87   88   91   93   95   97 
LCS_GDT     G   345_B     G   345_B      4   15   52      4    4   16   24   33   45   53   58   67   72   78   82   83   85   87   88   91   93   95   97 
LCS_GDT     I   346_B     I   346_B      4   10   52      4    4   16   24   35   47   53   58   67   72   78   82   83   85   87   88   91   93   95   97 
LCS_GDT     P   347_B     P   347_B      4   10   52      4    4    8   16   26   41   53   58   67   72   78   82   83   85   87   88   91   93   95   97 
LCS_GDT     T   348_B     T   348_B      5   10   52      4    5    5   12   18   23   39   49   60   72   78   82   83   85   87   88   91   93   95   97 
LCS_GDT     L   349_B     L   349_B      5   10   52      4    5    7   12   20   30   40   58   67   72   78   82   83   85   87   88   91   93   95   97 
LCS_GDT     F   350_B     F   350_B      5   10   52      4    5    6   12   18   28   40   58   67   72   78   82   83   85   87   88   91   93   95   97 
LCS_GDT     L   351_B     L   351_B      5   10   52      4    5    6   13   21   30   45   58   67   72   78   82   83   85   87   88   91   93   95   97 
LCS_GDT     E   352_B     E   352_B      5   10   52      4    6   11   13   18   28   43   58   67   72   78   82   83   85   87   88   91   93   95   97 
LCS_AVERAGE  LCS_A:   5.48  (   2.00    3.49   10.94 )

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     14     22     26     33     39     47     53     58     67     72     78     82     83     85     87     88     91     93     95     97 
GDT PERCENT_AT   3.73   5.87   6.93   8.80  10.40  12.53  14.13  15.47  17.87  19.20  20.80  21.87  22.13  22.67  23.20  23.47  24.27  24.80  25.33  25.87
GDT RMS_LOCAL    0.36   0.58   0.83   1.16   1.43   2.11   2.39   2.50   2.97   3.15   3.39   3.57   3.61   3.74   3.90   3.99   4.48   4.59   4.85   5.11
GDT RMS_ALL_AT  12.50  12.46  12.47  13.03  13.23  12.87  12.78  13.02  12.85  12.79  12.63  12.56  12.62  12.76  12.84  12.94  11.77  11.85  11.64  11.43

# Checking swapping
#   possible swapping detected:  D   242_B      D   242_B
#   possible swapping detected:  D   260_B      D   260_B
#   possible swapping detected:  F   269_B      F   269_B
#   possible swapping detected:  E   276_B      E   276_B
#   possible swapping detected:  D   278_B      D   278_B
#   possible swapping detected:  E   285_B      E   285_B
#   possible swapping detected:  Y   287_B      Y   287_B
#   possible swapping detected:  D   289_B      D   289_B
#   possible swapping detected:  D   297_B      D   297_B
#   possible swapping detected:  E   313_B      E   313_B
#   possible swapping detected:  Y   314_B      Y   314_B
#   possible swapping detected:  F   321_B      F   321_B
#   possible swapping detected:  F   326_B      F   326_B
#   possible swapping detected:  D   333_B      D   333_B
#   possible swapping detected:  E   343_B      E   343_B
#   possible swapping detected:  E   352_B      E   352_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    K   229_B      K   229_B     5.838     0    0.637   0.827     7.160   15.476   18.836
LGA    T   230_B      T   230_B     6.819     0    0.508   1.176     9.953   16.310   10.272
LGA    G   231_B      G   231_B     1.595     0    0.198   0.198     2.947   68.929   68.929
LGA    A   232_B      A   232_B     1.660     0    0.089   0.120     1.719   72.857   72.857
LGA    R   233_B      R   233_B     1.524     0    0.032   1.236     8.528   77.143   53.377
LGA    F   234_B      F   234_B     1.270     0    0.039   0.148     2.111   81.429   76.797
LGA    M   235_B      M   235_B     1.509     0    0.072   0.501     2.822   77.143   71.131
LGA    T   236_B      T   236_B     0.867     0    0.023   0.115     1.022   88.214   89.184
LGA    I   237_B      I   237_B     0.636     0    0.085   0.112     0.814   92.857   95.238
LGA    G   238_B      G   238_B     2.033     0    0.221   0.221     4.891   55.238   55.238
LGA    S   239_B      S   239_B     5.696     0    0.519   0.580     7.800   29.048   21.746
LGA    E   240_B      E   240_B     2.646     0    0.443   1.186     8.399   50.119   38.836
LGA    N   241_B      N   241_B     4.680     0    0.509   0.502    11.389   34.524   18.690
LGA    D   242_B      D   242_B     5.973     0    0.310   1.086     8.420   24.524   15.238
LGA    D   243_B      D   243_B     4.933     0    0.572   1.153     9.178   42.024   24.821
LGA    I   244_B      I   244_B     3.165     0    0.018   0.180     5.133   53.810   44.107
LGA    A   245_B      A   245_B     3.455     0    0.059   0.064     4.371   55.476   51.810
LGA    F   246_B      F   246_B     2.845     0    0.042   0.214     4.048   61.190   48.701
LGA    M   247_B      M   247_B     1.636     0    0.047   1.078     5.466   72.976   58.631
LGA    G   248_B      G   248_B     1.942     0    0.016   0.016     2.476   72.976   72.976
LGA    M   249_B      M   249_B     1.536     0    0.073   1.208     4.978   72.857   61.429
LGA    V   250_B      V   250_B     2.635     0    0.247   0.272     3.958   55.833   55.374
LGA    E   251_B      E   251_B     3.787     0    0.220   0.915     8.149   48.333   31.005
LGA    S   252_B      S   252_B     3.176     0    0.050   0.113     3.336   50.000   51.190
LGA    V   253_B      V   253_B     3.386     0    0.651   0.535     5.641   41.190   42.177
LGA    G   254_B      G   254_B     1.993     0    0.032   0.032     2.212   68.810   68.810
LGA    A   255_B      A   255_B     1.723     0    0.089   0.088     2.050   77.143   74.667
LGA    T   256_B      T   256_B     1.831     0    0.088   0.105     2.460   75.000   70.612
LGA    I   257_B      I   257_B     1.611     0    0.173   0.737     2.772   68.929   69.881
LGA    V   258_B      V   258_B     1.312     0    0.188   1.183     3.199   81.429   76.939
LGA    I   259_B      I   259_B     1.663     0    0.100   1.120     5.610   77.143   64.702
LGA    D   260_B      D   260_B     1.973     0    0.252   0.969     5.702   68.810   54.464
LGA    D   261_B      D   261_B     1.950     0    0.240   1.102     5.168   67.143   56.786
LGA    Q   262_B      Q   262_B     1.054     0    0.054   1.002     7.370   72.024   45.238
LGA    C   263_B      C   263_B     3.956     0    0.112   0.752     8.119   35.595   38.175
LGA    S   264_B      S   264_B     8.764     0    0.091   0.114    12.134    5.119    3.968
LGA    G   265_B      G   265_B     9.202     0    0.623   0.623     9.202    3.095    3.095
LGA    S   266_B      S   266_B     6.772     0    0.196   0.195     7.626   24.405   19.683
LGA    R   267_B      R   267_B     2.113     0    0.541   1.208    12.637   49.167   27.619
LGA    Y   268_B      Y   268_B     7.796     0    0.501   1.594    16.543    9.048    3.056
LGA    F   269_B      F   269_B     9.373     0    0.618   1.579    11.874    1.548    4.675
LGA    W   270_B      W   270_B    11.128     0    0.583   1.610    12.758    0.000    0.238
LGA    N   271_B      N   271_B    17.072     0    0.141   1.204    21.938    0.000    0.000
LGA    A   272_B      A   272_B    22.746     0    0.697   0.647    26.160    0.000    0.000
LGA    S   273_B      S   273_B    28.010     0    0.690   0.591    28.828    0.000    0.000
LGA    K   274_B      K   274_B    29.529     0    0.103   1.165    33.044    0.000    0.000
LGA    P   275_B      P   275_B    29.455     0    0.050   0.344    32.861    0.000    0.000
LGA    E   276_B      E   276_B    32.328     0    0.155   0.384    36.961    0.000    0.000
LGA    G   277_B      G   277_B    35.844     0    0.090   0.090    35.844    0.000    0.000
LGA    D   278_B      D   278_B    35.145     0    0.589   1.270    39.447    0.000    0.000
LGA    V   279_B      V   279_B    28.344     0    0.059   0.962    31.153    0.000    0.000
LGA    I   280_B      I   280_B    28.166     0    0.031   0.603    31.008    0.000    0.000
LGA    K   281_B      K   281_B    29.056     0    0.030   0.555    36.736    0.000    0.000
LGA    A   282_B      A   282_B    24.847     0    0.023   0.030    26.661    0.000    0.000
LGA    I   283_B      I   283_B    18.843     0    0.063   0.788    21.317    0.000    0.000
LGA    A   284_B      A   284_B    20.110     0    0.041   0.058    22.564    0.000    0.000
LGA    E   285_B      E   285_B    22.152     0    0.077   1.236    29.441    0.000    0.000
LGA    R   286_B      R   286_B    17.632     0    0.060   1.213    19.202    0.000    0.000
LGA    Y   287_B      Y   287_B    12.779     0    0.264   1.278    14.550    0.000    0.000
LGA    C   288_B      C   288_B    15.047     0    0.072   0.083    15.736    0.000    0.000
LGA    D   289_B      D   289_B    14.510     0    0.619   0.666    14.983    0.000    0.000
LGA    R   290_B      R   290_B    12.504     0    0.705   1.384    14.643    0.000    0.000
LGA    P   291_B      P   291_B    10.116     0    0.642   0.667    11.604    0.119    5.170
LGA    A   292_B      A   292_B    15.297     0    0.604   0.549    17.896    0.000    0.000
LGA    C   293_B      C   293_B    18.489     0    0.158   0.706    21.594    0.000    0.000
LGA    P   294_B      P   294_B    25.119     0    0.163   0.489    29.120    0.000    0.000
LGA    T   295_B      T   295_B    29.057     0    0.647   0.865    30.172    0.000    0.000
LGA    K   296_B      K   296_B    30.646     0    0.151   0.634    32.642    0.000    0.000
LGA    D   297_B      D   297_B    29.597     0    0.173   0.219    30.117    0.000    0.000
LGA    Y   298_B      Y   298_B    29.366     0    0.443   1.336    30.218    0.000    0.000
LGA    P   299_B      P   299_B    29.840     0    0.177   0.184    31.756    0.000    0.000
LGA    A   300_B      A   300_B    24.023     0    0.027   0.049    26.005    0.000    0.000
LGA    H   301_B      H   301_B    18.702     0    0.216   0.265    24.299    0.000    0.000
LGA    T   302_B      T   302_B    13.702     0    0.648   1.053    15.680    0.000    0.000
LGA    R   303_B      R   303_B     8.775     0    0.595   1.413    14.971    4.405    2.208
LGA    F   304_B      F   304_B    10.114     0    0.105   0.767    17.860    1.190    0.433
LGA    D   305_B      D   305_B     6.209     0    0.431   0.392     7.317   22.619   20.119
LGA    H   306_B      H   306_B     3.918     0    0.088   0.859     5.856   51.190   41.381
LGA    V   307_B      V   307_B     1.789     0    0.019   0.030     2.531   66.905   69.456
LGA    L   308_B      L   308_B     3.649     0    0.028   1.416     9.291   48.452   32.143
LGA    G   309_B      G   309_B     2.923     0    0.027   0.027     3.147   59.167   59.167
LGA    M   310_B      M   310_B     1.589     0    0.033   1.530     5.181   72.857   61.310
LGA    A   311_B      A   311_B     2.555     0    0.030   0.033     3.283   59.286   58.857
LGA    K   312_B      K   312_B     2.844     0    0.134   0.719     9.669   57.262   38.466
LGA    E   313_B      E   313_B     1.480     0    0.062   0.778     4.573   75.000   64.603
LGA    Y   314_B      Y   314_B     2.706     0    0.613   1.429    11.355   50.833   30.119
LGA    N   315_B      N   315_B     2.082     0    0.128   0.287     2.642   70.952   66.905
LGA    V   316_B      V   316_B     1.704     0    0.025   0.122     2.084   70.833   72.925
LGA    E   317_B      E   317_B     1.979     0    0.067   0.354     3.062   70.833   64.974
LGA    G   318_B      G   318_B     1.286     0    0.046   0.046     1.410   81.429   81.429
LGA    A   319_B      A   319_B     1.453     0    0.021   0.023     1.472   81.429   81.429
LGA    I   320_B      I   320_B     1.270     0    0.023   0.642     2.533   85.952   79.583
LGA    F   321_B      F   321_B     0.310     0    0.131   0.664     3.175   90.595   81.515
LGA    L   322_B      L   322_B     0.857     0    0.413   0.476     1.692   86.190   88.393
LGA    Q   323_B      Q   323_B     3.145     0    0.034   1.115     6.521   50.119   41.217
LGA    Q   324_B      Q   324_B     3.482     0    0.077   0.224     4.828   42.500   47.672
LGA    K   325_B      K   325_B     6.489     0    0.382   0.895    11.954   19.405    9.577
LGA    F   326_B      F   326_B     5.860     0    0.089   1.279    14.411   20.357    9.091
LGA    C   327_B      C   327_B     6.514     0    0.168   0.260     7.809   19.524   15.873
LGA    D   328_B      D   328_B     5.506     0    0.562   1.104     9.448   26.786   15.774
LGA    P   329_B      P   329_B     5.980     0    0.089   0.307     8.594   19.524   13.401
LGA    H   330_B      H   330_B     7.240     0    0.212   1.453    15.687   15.476    6.238
LGA    E   331_B      E   331_B     3.910     0    0.130   0.978    11.479   61.667   30.688
LGA    G   332_B      G   332_B     2.587     0    0.097   0.097     4.238   58.690   58.690
LGA    D   333_B      D   333_B     4.910     0    0.143   1.155    10.342   42.024   23.631
LGA    Y   334_B      Y   334_B     2.964     0    0.020   1.343    10.986   61.071   27.579
LGA    P   335_B      P   335_B     4.156     0    0.074   0.102     5.903   44.167   40.204
LGA    D   336_B      D   336_B     4.897     0    0.100   1.267    10.712   43.690   23.155
LGA    L   337_B      L   337_B     3.210     0    0.018   0.153     9.611   59.167   35.060
LGA    K   338_B      K   338_B     4.700     0    0.022   0.657    13.277   37.976   19.101
LGA    R   339_B      R   339_B     5.394     0    0.043   0.992    14.818   35.952   14.113
LGA    H   340_B      H   340_B     2.407     0    0.057   0.226     9.302   73.095   36.381
LGA    L   341_B      L   341_B     4.737     0    0.168   0.168     9.907   34.881   19.405
LGA    E   342_B      E   342_B     7.386     0    0.157   0.994    14.013   13.571    6.190
LGA    E   343_B      E   343_B     5.991     0    0.650   0.863    11.038   30.595   15.450
LGA    N   344_B      N   344_B     3.862     0    0.440   0.789     7.220   42.024   34.107
LGA    G   345_B      G   345_B     4.036     0    0.064   0.064     4.036   40.238   40.238
LGA    I   346_B      I   346_B     3.155     0    0.472   1.205     5.104   51.786   44.881
LGA    P   347_B      P   347_B     4.786     0    0.094   0.246     6.678   27.976   23.401
LGA    T   348_B      T   348_B     6.062     0    0.178   0.338     7.636   22.738   17.823
LGA    L   349_B      L   349_B     5.626     0    0.053   1.387     8.533   21.429   16.488
LGA    F   350_B      F   350_B     5.847     0    0.097   1.211    10.450   20.357   11.299
LGA    L   351_B      L   351_B     5.610     0    0.021   0.078     5.619   22.619   23.810
LGA    E   352_B      E   352_B     5.704     0    0.144   0.728     9.217   18.333   12.063

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      124     496    496  100.00     978    978  100.00               375
SUMMARY(RMSD_GDC):    10.088          9.987                 10.457           11.947   10.038

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  124  375    4.0     58    2.50    13.400    11.681     2.228

LGA_LOCAL      RMSD:   2.504  Number of atoms:   58  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  13.015  Number of assigned atoms:  124 
Std_ASGN_ATOMS RMSD:  10.088  Standard rmsd on all 124 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.672671 * X  +   0.454470 * Y  +  -0.583927 * Z  +  -5.023418
  Y_new =  -0.371358 * X  +  -0.889921 * Y  +  -0.264828 * Z  + -14.854094
  Z_new =  -0.640005 * X  +   0.038703 * Y  +   0.767395 * Z  +  10.822177 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.637166  0.694505  0.050392   [DEG: -151.0985   39.7922    2.8872 ]
ZXZ: -1.145010  0.696027 -1.510396   [DEG:  -65.6043   39.8794  -86.5393 ]
 
# END of job
