
#######################################################
#                                                     #
#                        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 ( 1010),  selected  124 , name one
# Molecule2: number of CA atoms  179 ( 1442),  selected  124 , 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:    62       1_A - 90_A        4.79     9.99
  LONGEST_CONTINUOUS_SEGMENT:    62       2_A - 91_A        4.99     9.96
  LCS_AVERAGE:     28.29

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    36     139_A - 174_A       1.99    11.98
  LONGEST_CONTINUOUS_SEGMENT:    36     140_A - 175_A       1.96    11.07
  LCS_AVERAGE:     14.92

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    16      26_A - 41_A        0.79    14.22
  LCS_AVERAGE:      4.75

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     Q     1_A     Q     1_A      4   13   62      0    5    8   20   28   38   47   63   70   73   75   78   82   84   86   91   93   97  100  101 
LCS_GDT     D     2_A     D     2_A      8   13   62      5   18   34   42   54   60   65   70   74   75   77   80   82   85   87   91   93   97  100  101 
LCS_GDT     K     3_A     K     3_A      8   13   62      4   10   22   35   46   53   62   69   74   75   77   80   82   85   87   91   93   97  100  101 
LCS_GDT     P     4_A     P     4_A      8   13   62      5   13   24   36   46   50   56   66   74   75   77   80   82   85   87   91   93   97  100  101 
LCS_GDT     G     5_A     G     5_A      8   13   62      4    9   25   34   44   49   56   65   74   75   77   80   82   85   87   91   93   97  100  101 
LCS_GDT     S     6_A     S     6_A      8   23   62      4   22   26   36   46   50   61   69   74   75   77   80   82   85   87   91   93   97  100  101 
LCS_GDT     A     7_A     A     7_A      8   23   62      5   22   27   39   54   60   65   70   74   75   77   80   82   85   87   91   93   97  100  101 
LCS_GDT     K     8_A     K     8_A      8   23   62     10   22   34   46   55   62   65   70   74   75   77   80   82   85   87   91   93   97  100  101 
LCS_GDT     A     9_A     A     9_A      8   23   62     10   22   34   46   55   62   65   70   74   75   77   80   82   85   87   91   93   97  100  101 
LCS_GDT     G    10_A     G    10_A      8   23   62      6   22   34   46   55   62   65   70   74   75   77   80   82   85   87   91   93   97  100  101 
LCS_GDT     G    11_A     G    11_A      8   23   62     13   22   34   46   55   62   65   70   74   75   77   80   82   85   87   91   93   97  100  101 
LCS_GDT     W    12_A     W    12_A      8   23   62      6   22   34   46   55   62   65   70   74   75   77   80   82   85   87   91   93   97  100  101 
LCS_GDT     T    13_A     T    13_A      8   23   62     10   22   34   46   55   62   65   70   74   75   77   80   82   85   87   91   93   97  100  101 
LCS_GDT     T    14_A     T    14_A      8   23   62      7   21   34   44   55   62   65   70   74   75   77   80   82   85   87   91   93   97  100  101 
LCS_GDT     Y    15_A     Y    15_A      8   23   62      4   14   34   46   55   62   65   70   74   75   77   80   82   85   87   91   93   97  100  101 
LCS_GDT     N    16_A     N    16_A      8   23   62      4   20   34   46   55   62   65   70   74   75   77   80   82   85   87   91   93   97  100  101 
LCS_GDT     T    17_A     T    17_A      8   23   62      5   20   34   46   55   62   65   70   74   75   77   80   82   85   87   91   93   97  100  101 
LCS_GDT     D    18_A     D    18_A      8   23   62      6   20   34   46   55   62   65   70   74   75   77   80   82   85   87   91   93   97  100  101 
LCS_GDT     N    19_A     N    19_A      8   23   62      3    8   31   44   55   62   65   70   74   75   77   80   82   85   87   91   93   97  100  101 
LCS_GDT     T    20_A     T    20_A      8   23   62      5   22   34   44   55   62   65   70   74   75   77   80   82   85   87   91   93   97  100  101 
LCS_GDT     F    21_A     F    21_A      8   23   62      8   22   34   46   55   62   65   70   74   75   77   80   82   85   87   91   93   97  100  101 
LCS_GDT     K    22_A     K    22_A      8   23   62     13   22   34   46   55   62   65   70   74   75   77   80   82   85   87   91   93   97  100  101 
LCS_GDT     G    23_A     G    23_A      8   34   62     12   22   34   46   55   62   65   70   74   75   77   80   82   85   87   91   93   97  100  101 
LCS_GDT     G    24_A     G    24_A      8   34   62      6   14   30   46   55   62   65   70   74   75   77   80   82   85   87   91   93   97  100  101 
LCS_GDT     S    25_A     S    25_A      8   34   62     10   22   34   46   55   62   65   70   74   75   77   80   82   85   87   91   93   97  100  101 
LCS_GDT     Y    26_A     Y    26_A     16   34   62     13   22   34   46   55   62   65   70   74   75   77   80   82   85   87   91   93   97  100  101 
LCS_GDT     A    27_A     A    27_A     16   34   62     10   22   34   46   55   62   65   70   74   75   77   80   82   85   87   91   93   97  100  101 
LCS_GDT     K    28_A     K    28_A     16   34   62      8   22   26   36   47   60   65   70   74   75   77   80   82   85   87   91   93   97  100  101 
LCS_GDT     Y    29_A     Y    29_A     16   34   62     10   22   26   36   46   50   60   69   74   75   77   80   82   85   87   91   93   97  100  101 
LCS_GDT     V    30_A     V    30_A     16   34   62     10   22   26   34   45   49   56   65   74   75   77   80   82   85   87   91   93   97  100  101 
LCS_GDT     L    31_A     L    31_A     16   34   62     10   22   26   30   43   48   54   57   60   67   74   78   81   85   86   91   93   97  100  101 
LCS_GDT     S    32_A     S    32_A     16   34   62     10   22   26   30   35   45   51   57   59   64   70   75   81   83   86   89   93   97  100  101 
LCS_GDT     P    33_A     P    33_A     16   34   62     10   22   26   30   35   43   50   54   58   64   69   72   80   83   85   88   93   96  100  101 
LCS_GDT     N    34_A     N    34_A     16   34   62     10   22   26   30   35   43   50   54   58   62   64   70   75   79   82   87   90   95   99  101 
LCS_GDT     L    35_A     L    35_A     16   34   62      7   22   26   30   39   46   51   57   59   64   69   75   80   83   85   89   93   97  100  101 
LCS_GDT     A    36_A     A    36_A     16   34   62      6   22   26   30   40   46   52   57   59   66   72   77   81   85   86   91   93   97  100  101 
LCS_GDT     L    37_A     L    37_A     16   34   62     10   22   26   34   43   49   54   57   62   72   76   78   81   85   87   91   93   97  100  101 
LCS_GDT     K    38_A     K    38_A     16   34   62      9   22   26   34   45   49   56   64   74   75   77   80   82   85   87   91   93   97  100  101 
LCS_GDT     G    39_A     G    39_A     16   34   62      9   22   27   36   46   59   65   69   74   75   77   80   82   85   87   91   93   97  100  101 
LCS_GDT     E    40_A     E    40_A     16   34   62     10   22   34   46   55   62   65   70   74   75   77   80   82   85   87   91   93   97  100  101 
LCS_GDT     Y    41_A     Y    41_A     16   34   62      5   17   27   42   55   62   65   70   74   75   77   80   82   85   87   91   93   97  100  101 
LCS_GDT     E    42_A     E    42_A      6   34   62      9   21   34   46   55   62   65   70   74   75   77   80   82   85   87   91   93   97  100  101 
LCS_GDT     W    43_A     W    43_A      6   34   62      4   13   26   39   55   62   65   70   74   75   77   80   82   85   87   91   93   97  100  101 
LCS_GDT     N    44_A     N    44_A      6   34   62      5   22   34   46   55   62   65   70   74   75   77   80   82   85   87   91   93   97  100  101 
LCS_GDT     N    45_A     N    45_A      5   34   62      3   11   25   41   54   62   65   70   74   75   77   80   82   85   87   91   93   97  100  101 
LCS_GDT     S    46_A     S    46_A      5   34   62      3   17   33   46   55   62   65   70   74   75   77   80   82   85   87   91   93   97  100  101 
LCS_GDT     S    47_A     S    47_A      5   34   62      5   20   33   46   55   62   65   70   74   75   77   80   82   85   87   91   93   97  100  101 
LCS_GDT     L    48_A     L    48_A      7   34   62      4   20   33   46   55   62   65   70   74   75   77   80   82   85   87   91   93   97  100  101 
LCS_GDT     N    49_A     N    49_A      8   34   62      4   17   32   46   55   62   65   70   74   75   77   80   82   85   87   91   93   97  100  101 
LCS_GDT     S    50_A     S    50_A      8   34   62      3   17   26   36   46   58   65   70   74   75   77   80   82   85   87   91   93   97  100  101 
LCS_GDT     F    51_A     F    51_A      8   34   62      7   20   26   36   46   58   65   69   74   75   77   80   82   85   87   91   93   97  100  101 
LCS_GDT     K    52_A     K    52_A      8   34   62      5   22   26   36   46   49   57   69   74   75   77   80   82   85   87   91   93   97  100  101 
LCS_GDT     A    53_A     A    53_A      8   34   62      5   22   26   36   46   49   56   65   74   75   77   80   82   85   87   91   93   97  100  101 
LCS_GDT     G    54_A     G    54_A      8   34   62      6   22   26   34   43   49   54   57   62   67   76   78   81   85   87   91   93   97  100  101 
LCS_GDT     A    55_A     A    55_A      8   34   62      9   22   26   30   40   46   52   57   59   64   70   76   81   83   86   91   93   97  100  101 
LCS_GDT     E    56_A     E    56_A      8   34   62      9   22   26   30   35   43   50   54   58   62   66   71   76   82   85   90   93   97  100  101 
LCS_GDT     Y    57_A     Y    57_A      7   34   62     10   19   26   30   34   38   44   52   55   58   62   65   70   72   77   84   88   95   98  101 
LCS_GDT     R    86_A     R    86_A      4    6   62      4    4    4    6    6    7    7    8   13   31   60   75   79   84   87   91   93   97  100  101 
LCS_GDT     Y    87_A     Y    87_A      4    6   62      4    4    4    6    6    7   16   32   46   60   69   75   78   84   87   91   93   97  100  101 
LCS_GDT     P    88_A     P    88_A      4    6   62      4    4    4    6    6    7    7   24   29   57   62   70   76   78   83   89   93   97  100  101 
LCS_GDT     V    89_A     V    89_A      4    6   62      4    4    4    6    6    7    7   18   27   42   59   67   75   77   82   90   93   97  100  101 
LCS_GDT     D    90_A     D    90_A      4    6   62      3    3    4    5    6    7    7    8    8    9   10   20   32   37   47   55   65   72   89   91 
LCS_GDT     P    91_A     P    91_A      4    6   62      3    4    4    6    6    7    7   10   13   27   36   60   65   68   71   81   88   93   95  100 
LCS_GDT     N    92_A     N    92_A      4    6   32      3    4    4    4    9   44   53   59   67   73   74   77   81   84   87   91   93   97  100  101 
LCS_GDT     L    93_A     L    93_A      4    5   32      3    4    4    6   27   32   38   46   55   63   69   76   80   84   87   91   93   97  100  101 
LCS_GDT     E    94_A     E    94_A      4    5   32      3    4    7   14   18   22   26   48   51   56   64   70   76   80   86   90   93   97  100  101 
LCS_GDT     L    95_A     L    95_A      4   12   31      3    4    5   10   15   19   21   26   37   43   52   64   70   75   79   90   93   96  100  101 
LCS_GDT     F    96_A     F    96_A      4   12   16      3    4    4   10   12   19   21   26   32   43   47   65   70   75   83   90   93   97  100  101 
LCS_GDT     P    97_A     P    97_A      4   12   16      3    5    7   14   23   29   38   44   51   56   61   70   71   75   79   84   93   96   99  101 
LCS_GDT     G    98_A     G    98_A      8   12   16      4    6    8   12   18   25   29   37   44   48   54   60   67   71   76   79   86   92   99  101 
LCS_GDT     G    99_A     G    99_A      8   12   16      4    5    8    8   11   17   26   33   36   42   47   58   62   71   73   79   84   88   99  101 
LCS_GDT     W   100_A     W   100_A      8   12   16      6    6    8   10   11   17   26   33   36   42   47   58   62   68   73   79   84   88   99  101 
LCS_GDT     Y   101_A     Y   101_A      8   12   16      6    6    8   10   11   14   15   17   24   28   37   41   50   51   62   65   72   80   85   91 
LCS_GDT     T   102_A     T   102_A      8   12   16      6    6    8   10   11   13   14   17   21   28   37   41   47   59   62   66   77   87   90   99 
LCS_GDT     W   103_A     W   103_A      8   12   16      6    6    8   10   11   12   13   13   14   14   14   28   31   33   51   62   72   77   83   90 
LCS_GDT     N   104_A     N   104_A      8   12   16      6    6    8   10   11   12   13   13   14   14   14   15   31   32   51   62   75   79   90   98 
LCS_GDT     N   105_A     N   105_A      8   12   16      6    6    8   10   11   12   13   13   14   14   14   15   15   15   25   41   47   71   83   86 
LCS_GDT     S   106_A     S   106_A      3   12   16      0    3    3    8   10   12   13   13   14   14   14   15   15   16   25   36   56   70   79   88 
LCS_GDT     S   107_A     S   107_A      3    3   45      0    3    3    3    3    4    5   10   14   14   14   15   15   16   22   38   51   64   77   86 
LCS_GDT     Y   133_A     Y   133_A      3    6   45      0    3    3    5   10   16   21   29   34   37   39   40   44   52   53   57   60   62   64   66 
LCS_GDT     N   134_A     N   134_A      3    6   45      3    3    3    5   10   12   14   20   29   33   38   40   42   43   46   50   54   62   64   66 
LCS_GDT     T   135_A     T   135_A      3   13   45      3    3    4   10   14   16   21   28   33   37   38   40   42   43   46   50   60   62   64   66 
LCS_GDT     D   136_A     D   136_A      3   13   45      3    3    7   10   14   16   21   29   34   37   39   40   47   52   53   56   60   62   64   69 
LCS_GDT     N   137_A     N   137_A      4   13   45      3    5    7   10   14   16   24   31   34   37   40   44   48   53   59   63   67   72   74   74 
LCS_GDT     T   138_A     T   138_A      4   13   45      3    5   10   17   19   24   29   33   45   48   49   57   60   66   71   73   75   78   82   84 
LCS_GDT     F   139_A     F   139_A      9   36   45      5    8   22   26   31   44   46   51   56   63   67   72   74   76   80   83   84   87   89   94 
LCS_GDT     K   140_A     K   140_A      9   36   45      5   19   24   36   43   48   58   61   65   70   73   75   78   82   83   85   91   93   95   99 
LCS_GDT     F   141_A     F   141_A      9   36   45      5   16   23   29   43   48   58   61   65   70   73   75   78   82   83   85   88   91   95   98 
LCS_GDT     D   142_A     D   142_A      9   36   45      7   20   34   44   54   62   65   70   72   74   77   80   82   85   87   91   93   97  100  101 
LCS_GDT     T   143_A     T   143_A      9   36   45      9   20   34   44   55   62   65   70   72   74   77   80   82   85   87   91   93   97  100  101 
LCS_GDT     G   144_A     G   144_A      9   36   45     13   22   34   46   55   62   65   70   74   75   77   80   82   85   87   91   93   97  100  101 
LCS_GDT     L   145_A     L   145_A      9   36   45     13   22   34   46   55   62   65   70   74   75   77   80   82   85   87   91   93   97  100  101 
LCS_GDT     E   146_A     E   146_A      9   36   45     13   22   34   46   55   62   65   70   74   75   77   80   82   85   87   91   93   97  100  101 
LCS_GDT     Y   147_A     Y   147_A      9   36   45     13   22   34   46   55   62   65   70   74   75   77   80   82   85   87   91   93   97  100  101 
LCS_GDT     K   148_A     K   148_A      7   36   45      7   21   34   46   55   62   65   70   74   75   77   80   82   85   87   91   93   97  100  101 
LCS_GDT     L   149_A     L   149_A      6   36   45      5    5   15   45   55   62   65   70   74   75   77   80   82   85   87   91   93   97  100  101 
LCS_GDT     S   150_A     S   150_A     10   36   45      5   20   34   45   55   62   65   70   74   75   77   80   82   85   87   91   93   97  100  101 
LCS_GDT     P   151_A     P   151_A     12   36   45      5   17   27   44   55   62   65   70   74   75   77   80   82   85   87   91   93   97  100  101 
LCS_GDT     N   152_A     N   152_A     12   36   45      5   21   34   46   55   62   65   70   74   75   77   80   82   85   87   91   93   97  100  101 
LCS_GDT     L   153_A     L   153_A     12   36   45     10   21   34   46   55   62   65   70   74   75   77   80   82   85   87   91   93   97  100  101 
LCS_GDT     K   154_A     K   154_A     12   36   45     11   22   34   46   55   62   65   70   74   75   77   80   82   85   87   91   93   97  100  101 
LCS_GDT     V   155_A     V   155_A     12   36   45     10   22   34   46   55   62   65   70   74   75   77   80   82   85   87   91   93   97  100  101 
LCS_GDT     K   156_A     K   156_A     12   36   45     13   22   34   46   55   62   65   70   74   75   77   80   82   85   87   91   93   97  100  101 
LCS_GDT     F   157_A     F   157_A     12   36   45     13   22   34   46   55   62   65   70   74   75   77   80   82   85   87   91   93   97  100  101 
LCS_GDT     E   158_A     E   158_A     12   36   45     13   22   34   46   55   62   65   70   74   75   77   80   82   85   87   91   93   97  100  101 
LCS_GDT     Y   159_A     Y   159_A     12   36   45     10   21   34   46   55   62   65   70   74   75   77   80   82   85   87   91   93   97  100  101 
LCS_GDT     G   160_A     G   160_A     12   36   45     10   20   34   44   55   62   65   70   72   75   77   80   82   85   87   91   93   97  100  101 
LCS_GDT     W   161_A     W   161_A     12   36   45     10   20   34   44   55   62   65   70   72   74   77   80   82   85   87   91   93   97  100  101 
LCS_GDT     N   162_A     N   162_A     12   36   45      6   19   34   44   55   62   65   70   72   74   77   80   82   85   87   91   93   97  100  101 
LCS_GDT     N   163_A     N   163_A      6   36   45      4   17   28   44   55   62   65   70   72   74   77   80   82   85   87   91   93   97  100  101 
LCS_GDT     S   164_A     S   164_A      6   36   45      3    4    7   10   40   51   65   70   74   75   77   80   82   85   87   91   93   97  100  101 
LCS_GDT     S   165_A     S   165_A      5   36   45      3    4    9   14   55   62   65   70   74   75   77   80   82   85   87   91   93   97  100  101 
LCS_GDT     L   166_A     L   166_A      8   36   45     10   21   34   46   55   62   65   70   74   75   77   80   82   85   87   91   93   97  100  101 
LCS_GDT     N   167_A     N   167_A      8   36   45     10   21   34   46   55   62   65   70   74   75   77   80   82   85   87   91   93   97  100  101 
LCS_GDT     E   168_A     E   168_A      8   36   45     13   22   34   46   55   62   65   70   74   75   77   80   82   85   87   91   93   97  100  101 
LCS_GDT     F   169_A     F   169_A      8   36   45     13   22   34   46   55   62   65   70   74   75   77   80   82   85   87   91   93   97  100  101 
LCS_GDT     T   170_A     T   170_A      8   36   45     10   22   34   46   55   62   65   70   74   75   77   80   82   85   87   91   93   97  100  101 
LCS_GDT     V   171_A     V   171_A      8   36   45     10   21   34   46   55   62   65   70   74   75   77   80   82   85   87   91   93   97  100  101 
LCS_GDT     Q   172_A     Q   172_A      8   36   45      8   17   24   37   49   61   65   70   74   75   77   80   82   85   87   91   93   97  100  101 
LCS_GDT     F   173_A     F   173_A      8   36   45      7   21   34   46   55   62   65   70   74   75   77   80   82   85   87   91   93   97  100  101 
LCS_GDT     E   174_A     E   174_A      6   36   45     13   22   34   46   55   62   65   70   74   75   77   80   82   85   87   91   93   97  100  101 
LCS_GDT     Y   175_A     Y   175_A      6   36   45      4   21   34   46   55   62   65   70   74   75   77   80   82   85   87   91   93   97  100  101 
LCS_GDT     D   176_A     D   176_A      6   35   45      4   12   27   42   55   62   65   70   74   75   77   80   82   85   87   91   93   97  100  101 
LCS_GDT     L   177_A     L   177_A      6   35   45      4    7   19   34   49   60   65   70   74   75   77   80   82   85   87   91   93   97  100  101 
LCS_AVERAGE  LCS_A:  15.98  (   4.75   14.92   28.29 )

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     13     22     34     46     55     62     65     70     74     75     77     80     82     85     87     91     93     97    100    101 
GDT PERCENT_AT   7.26  12.29  18.99  25.70  30.73  34.64  36.31  39.11  41.34  41.90  43.02  44.69  45.81  47.49  48.60  50.84  51.96  54.19  55.87  56.42
GDT RMS_LOCAL    0.36   0.64   0.99   1.34   1.55   1.75   1.87   2.13   2.64   2.67   2.77   2.90   3.05   3.42   3.66   3.98   4.20   4.63   4.96   5.06
GDT RMS_ALL_AT  10.11   9.95   9.85   9.73   9.88   9.88   9.84   9.71   9.39   9.39   9.43   9.48   9.52   9.41   9.24   9.24   9.23   9.17   9.19   9.21

# Checking swapping
#   possible swapping detected:  D     2_A      D     2_A
#   possible swapping detected:  Y    15_A      Y    15_A
#   possible swapping detected:  D    18_A      D    18_A
#   possible swapping detected:  F    21_A      F    21_A
#   possible swapping detected:  Y    26_A      Y    26_A
#   possible swapping detected:  E    40_A      E    40_A
#   possible swapping detected:  E    56_A      E    56_A
#   possible swapping detected:  Y    87_A      Y    87_A
#   possible swapping detected:  D    90_A      D    90_A
#   possible swapping detected:  E    94_A      E    94_A
#   possible swapping detected:  Y   133_A      Y   133_A
#   possible swapping detected:  D   136_A      D   136_A
#   possible swapping detected:  F   139_A      F   139_A
#   possible swapping detected:  E   158_A      E   158_A
#   possible swapping detected:  Y   159_A      Y   159_A
#   possible swapping detected:  Y   175_A      Y   175_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q     1_A      Q     1_A     5.703     0    0.047   1.212    11.529   26.071   13.386
LGA    D     2_A      D     2_A     3.125     0    0.353   1.150     4.335   43.571   54.464
LGA    K     3_A      K     3_A     7.144     0    0.094   0.935    12.722   13.690    6.561
LGA    P     4_A      P     4_A     9.161     0    0.051   0.335    11.355    1.548    0.952
LGA    G     5_A      G     5_A     9.662     0    0.220   0.220     9.662    2.857    2.857
LGA    S     6_A      S     6_A     6.989     0    0.016   0.632     8.084   15.238   16.746
LGA    A     7_A      A     7_A     3.732     0    0.096   0.132     4.900   47.262   47.810
LGA    K     8_A      K     8_A     1.567     0    0.026   1.153     7.001   72.976   51.270
LGA    A     9_A      A     9_A     0.376     0    0.052   0.070     0.724   95.238   94.286
LGA    G    10_A      G    10_A     0.957     0    0.123   0.123     0.957   90.476   90.476
LGA    G    11_A      G    11_A     0.668     0    0.030   0.030     1.531   83.810   83.810
LGA    W    12_A      W    12_A     1.700     0    0.009   0.665     5.241   81.548   54.286
LGA    T    13_A      T    13_A     1.265     0    0.094   0.266     2.875   75.119   70.748
LGA    T    14_A      T    14_A     2.506     0    0.279   1.010     5.240   71.071   60.748
LGA    Y    15_A      Y    15_A     1.381     0    0.050   1.190     4.925   81.429   67.976
LGA    N    16_A      N    16_A     1.519     0    0.027   1.036     3.755   75.000   64.583
LGA    T    17_A      T    17_A     1.937     0    0.057   0.264     2.739   70.833   68.299
LGA    D    18_A      D    18_A     1.622     0    0.675   1.390     4.340   67.143   60.952
LGA    N    19_A      N    19_A     2.419     0    0.407   1.144     6.217   68.810   52.857
LGA    T    20_A      T    20_A     2.281     0    0.058   0.193     2.701   68.810   65.986
LGA    F    21_A      F    21_A     1.993     0    0.007   1.266     6.893   70.833   49.610
LGA    K    22_A      K    22_A     1.508     0    0.011   0.935     2.929   79.405   72.222
LGA    G    23_A      G    23_A     0.815     0    0.025   0.025     1.143   88.214   88.214
LGA    G    24_A      G    24_A     1.725     0    0.217   0.217     1.725   79.286   79.286
LGA    S    25_A      S    25_A     0.752     0    0.093   0.139     1.257   85.952   84.444
LGA    Y    26_A      Y    26_A     1.334     0    0.237   1.403    10.575   85.952   45.119
LGA    A    27_A      A    27_A     1.368     0    0.092   0.126     3.518   68.095   69.048
LGA    K    28_A      K    28_A     4.064     0    0.129   0.926     5.620   42.262   35.820
LGA    Y    29_A      Y    29_A     7.058     0    0.085   0.961    10.525    8.929    4.683
LGA    V    30_A      V    30_A     8.124     0    0.034   0.061     9.339    4.405    7.075
LGA    L    31_A      L    31_A    12.045     0    0.013   0.962    13.395    0.000    0.000
LGA    S    32_A      S    32_A    13.806     0    0.014   0.752    17.238    0.000    0.000
LGA    P    33_A      P    33_A    14.386     0    0.129   0.131    15.805    0.000    0.000
LGA    N    34_A      N    34_A    16.799     0    0.056   0.894    19.565    0.000    0.000
LGA    L    35_A      L    35_A    14.288     0    0.051   1.242    19.253    0.000    0.000
LGA    A    36_A      A    36_A    11.713     0    0.025   0.036    12.631    0.000    0.000
LGA    L    37_A      L    37_A    10.076     0    0.014   1.025    14.106    2.500    1.250
LGA    K    38_A      K    38_A     7.250     0    0.082   0.587     8.474    8.810   10.317
LGA    G    39_A      G    39_A     4.876     0    0.021   0.021     5.309   41.190   41.190
LGA    E    40_A      E    40_A     1.393     0    0.259   1.170     5.187   69.048   59.683
LGA    Y    41_A      Y    41_A     2.599     0    0.090   1.323     5.294   71.310   53.135
LGA    E    42_A      E    42_A     1.776     0    0.185   0.428     7.246   64.881   42.804
LGA    W    43_A      W    43_A     2.589     0    0.048   1.249     7.619   66.905   49.320
LGA    N    44_A      N    44_A     1.839     0    0.527   1.065     3.195   69.048   67.440
LGA    N    45_A      N    45_A     2.804     0    0.535   1.323     8.297   73.333   43.750
LGA    S    46_A      S    46_A     2.060     0    0.457   0.586     2.653   67.024   66.270
LGA    S    47_A      S    47_A     1.183     0    0.574   0.736     3.312   71.190   70.873
LGA    L    48_A      L    48_A     1.916     0    0.608   1.052     4.026   65.119   66.905
LGA    N    49_A      N    49_A     1.471     0    0.042   0.818     5.433   63.690   53.095
LGA    S    50_A      S    50_A     4.341     0    0.225   0.838     5.864   43.690   37.063
LGA    F    51_A      F    51_A     4.832     0    0.011   0.347     7.856   24.405   21.861
LGA    K    52_A      K    52_A     6.174     0    0.006   1.169     6.325   21.667   20.582
LGA    A    53_A      A    53_A     8.073     0    0.145   0.189     9.872    3.452    3.048
LGA    G    54_A      G    54_A    10.619     0    0.015   0.015    10.879    0.357    0.357
LGA    A    55_A      A    55_A    12.011     0    0.011   0.016    13.149    0.000    0.000
LGA    E    56_A      E    56_A    12.868     0    0.222   0.839    14.140    0.000    0.370
LGA    Y    57_A      Y    57_A    16.799     0    0.004   0.983    21.069    0.000    0.000
LGA    R    86_A      R    86_A     8.754     0    0.184   1.482    17.012    3.333    1.342
LGA    Y    87_A      Y    87_A     9.562     0    0.125   1.301    12.234    0.595    0.198
LGA    P    88_A      P    88_A    10.630     0    0.208   0.236    11.301    0.000    0.068
LGA    V    89_A      V    89_A    12.485     0    0.596   0.803    13.949    0.000    0.000
LGA    D    90_A      D    90_A    17.326     0    0.026   0.766    21.934    0.000    0.000
LGA    P    91_A      P    91_A    14.387     0    0.589   0.685    15.590    0.000    0.000
LGA    N    92_A      N    92_A     8.704     0    0.291   0.271    10.489    1.786   13.452
LGA    L    93_A      L    93_A    11.972     0    0.585   0.712    18.355    0.000    0.000
LGA    E    94_A      E    94_A    16.588     0    0.680   1.314    21.695    0.000    0.000
LGA    L    95_A      L    95_A    18.320     0    0.648   0.988    23.137    0.000    0.000
LGA    F    96_A      F    96_A    17.262     0    0.215   1.068    19.274    0.000    0.043
LGA    P    97_A      P    97_A    19.620     0    0.182   0.436    19.743    0.000    0.000
LGA    G    98_A      G    98_A    19.926     0    0.079   0.079    19.926    0.000    0.000
LGA    G    99_A      G    99_A    19.969     0    0.085   0.085    20.412    0.000    0.000
LGA    W   100_A      W   100_A    19.152     0    0.062   1.066    23.762    0.000    0.000
LGA    Y   101_A      Y   101_A    19.684     0    0.028   1.320    20.708    0.000    0.000
LGA    T   102_A      T   102_A    18.351     0    0.082   0.874    19.270    0.000    0.000
LGA    W   103_A      W   103_A    18.493     0    0.002   0.106    21.785    0.000    0.000
LGA    N   104_A      N   104_A    17.868     0    0.110   0.849    18.166    0.000    0.000
LGA    N   105_A      N   105_A    17.998     0    0.552   1.089    19.776    0.000    0.000
LGA    S   106_A      S   106_A    15.922     0    0.502   0.656    17.236    0.000    0.000
LGA    S   107_A      S   107_A    15.128     0    0.251   0.430    16.112    0.000    0.000
LGA    Y   133_A      Y   133_A    20.903     0    0.169   0.253    23.464    0.000    0.000
LGA    N   134_A      N   134_A    23.960     0    0.566   1.269    27.800    0.000    0.000
LGA    T   135_A      T   135_A    25.722     0    0.085   1.097    28.975    0.000    0.000
LGA    D   136_A      D   136_A    21.920     0    0.421   1.340    23.812    0.000    0.000
LGA    N   137_A      N   137_A    19.481     0    0.524   1.176    20.192    0.000    0.000
LGA    T   138_A      T   138_A    15.525     0    0.020   1.012    17.429    0.000    0.000
LGA    F   139_A      F   139_A     9.471     0    0.468   1.183    11.331    4.048   30.649
LGA    K   140_A      K   140_A     6.636     0    0.032   0.896     8.027    8.810   12.275
LGA    F   141_A      F   141_A     6.491     0    0.173   1.433     8.042   21.667   14.416
LGA    D   142_A      D   142_A     3.506     0    0.072   0.603     5.417   42.024   42.202
LGA    T   143_A      T   143_A     2.749     0    0.017   0.918     4.836   69.405   59.456
LGA    G   144_A      G   144_A     0.942     0    0.159   0.159     1.724   83.810   83.810
LGA    L   145_A      L   145_A     1.044     0    0.041   1.044     3.433   88.214   75.774
LGA    E   146_A      E   146_A     0.955     0    0.032   0.307     1.435   85.952   84.444
LGA    Y   147_A      Y   147_A     0.622     0    0.064   0.215     1.226   85.952   86.706
LGA    K   148_A      K   148_A     1.903     0    0.141   1.101     4.941   86.190   64.550
LGA    L   149_A      L   149_A     2.041     0    0.197   1.203     4.588   70.952   65.298
LGA    S   150_A      S   150_A     2.297     0    0.079   0.190     3.986   70.952   64.048
LGA    P   151_A      P   151_A     3.170     0    0.040   0.345     4.391   59.167   50.612
LGA    N   152_A      N   152_A     1.370     0    0.398   1.007     3.793   70.952   70.595
LGA    L   153_A      L   153_A     1.302     0    0.109   1.095     3.055   88.214   74.702
LGA    K   154_A      K   154_A     0.365     0    0.061   0.705     2.217   92.857   87.778
LGA    V   155_A      V   155_A     0.936     0    0.003   0.094     2.501   92.857   82.041
LGA    K   156_A      K   156_A     0.914     0    0.005   0.982     3.484   88.214   78.413
LGA    F   157_A      F   157_A     0.343     0    0.036   1.147     6.197   92.857   65.671
LGA    E   158_A      E   158_A     1.077     0    0.050   0.617     1.365   83.690   83.439
LGA    Y   159_A      Y   159_A     1.693     0    0.035   0.125     2.933   66.905   64.246
LGA    G   160_A      G   160_A     2.705     0    0.032   0.032     2.856   59.048   59.048
LGA    W   161_A      W   161_A     3.344     0    0.131   1.232     7.744   48.333   33.639
LGA    N   162_A      N   162_A     3.147     0    0.179   1.046     5.708   48.333   42.381
LGA    N   163_A      N   163_A     3.035     0    0.565   1.176     7.079   53.571   40.238
LGA    S   164_A      S   164_A     4.055     0    0.542   0.537     7.551   48.571   36.429
LGA    S   165_A      S   165_A     2.573     0    0.148   0.560     4.441   65.357   58.095
LGA    L   166_A      L   166_A     1.596     0    0.517   0.931     5.260   66.310   60.774
LGA    N   167_A      N   167_A     1.598     0    0.035   1.225     6.633   83.810   57.917
LGA    E   168_A      E   168_A     0.966     0    0.046   0.490     1.841   85.952   86.561
LGA    F   169_A      F   169_A     0.565     0    0.125   1.257     6.266   90.476   67.446
LGA    T   170_A      T   170_A     1.553     0    0.015   1.065     3.732   75.000   67.619
LGA    V   171_A      V   171_A     2.065     0    0.078   0.137     2.583   62.976   64.898
LGA    Q   172_A      Q   172_A     3.606     0    0.170   1.187     6.655   53.810   42.063
LGA    F   173_A      F   173_A     1.550     0    0.280   0.864     2.774   79.643   73.203
LGA    E   174_A      E   174_A     0.685     0    0.150   0.786     2.120   90.476   84.603
LGA    Y   175_A      Y   175_A     1.465     0    0.055   0.278     4.671   79.405   59.127
LGA    D   176_A      D   176_A     2.452     0    0.024   1.017     5.584   57.381   47.798
LGA    L   177_A      L   177_A     3.647     0    0.613   1.014     4.813   42.024   48.810

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      124     496    496  100.00    1010   1010  100.00               179
SUMMARY(RMSD_GDC):     8.889          8.862                  9.470           29.292   26.038

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  124  179    4.0     70    2.13    31.983    29.312     3.139

LGA_LOCAL      RMSD:   2.130  Number of atoms:   70  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   9.705  Number of assigned atoms:  124 
Std_ASGN_ATOMS RMSD:   8.889  Standard rmsd on all 124 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.367531 * X  +   0.477339 * Y  +   0.798166 * Z  +  19.713530
  Y_new =   0.504080 * X  +  -0.823477 * Y  +   0.260362 * Z  + -13.978379
  Z_new =   0.781552 * X  +   0.306648 * Y  +  -0.543271 * Z  +   9.417048 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.940798 -0.897150  2.627724   [DEG:   53.9037  -51.4029  150.5575 ]
ZXZ:  1.886114  2.145124  1.196895   [DEG:  108.0664  122.9066   68.5770 ]
 
# END of job
