
#######################################################
#                                                     #
#                        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  158 ( 1264),  selected  158 , name one
# Molecule2: number of CA atoms  222 ( 1756),  selected  158 , 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:    99      92_A - 190_A       4.57    14.72
  LCS_AVERAGE:     31.86

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    42      99_A - 140_A       1.99    15.05
  LCS_AVERAGE:     10.84

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    25     115_A - 139_A       0.98    14.61
  LCS_AVERAGE:      4.72

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  158
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     H    33_A     H    33_A      4   19   24      8   19   38   55   65   75   85   94  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     I    34_A     I    34_A      6   19   24      8   27   46   55   68   79   86   95  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     P    35_A     P    35_A      6   19   24      3    8   23   44   61   74   81   90   98  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     F    36_A     F    36_A      6   19   24      3   15   33   55   63   74   82   94  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     Y    37_A     Y    37_A      6   19   24      4   16   33   55   65   79   86   95  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     H    38_A     H    38_A      6   19   24      5   16   46   61   69   79   88   95  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     I    39_A     I    39_A      6   19   24      8   20   48   61   69   79   88   95  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     E    40_A     E    40_A      6   19   24      9   30   48   61   69   79   88   95  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     D    41_A     D    41_A      5   19   24      4    4   26   39   58   74   85   95  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     S    42_A     S    42_A     10   19   24     17   35   48   61   69   79   88   95  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     K    43_A     K    43_A     10   19   24      5   24   46   61   69   79   88   95  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     F    44_A     F    44_A     10   19   24     17   35   48   61   69   79   88   95  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     K    45_A     K    45_A     10   19   24     17   35   48   61   69   79   88   95  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     H    46_A     H    46_A     10   19   24     17   35   48   61   69   79   88   95  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     Y    47_A     Y    47_A     10   19   24     17   35   48   61   69   79   88   95  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     G    48_A     G    48_A     10   19   24     17   35   48   61   69   79   88   95  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     K    49_A     K    49_A     10   19   24     12   35   48   61   69   79   88   95  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     V    50_A     V    50_A     10   19   24     11   30   48   61   69   79   88   95  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     I    51_A     I    51_A     10   19   24     11   24   45   61   69   79   88   95  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     N    52_A     N    52_A      9   17   24      5   19   36   53   68   79   88   95  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     E    53_A     E    53_A      8   12   24      4    6   10   19   35   50   72   85   95  101  110  112  113  113  113  115  116  116  116  116 
LCS_GDT     Y    54_A     Y    54_A      5    8   24      4    4    6   13   24   30   38   46   48   63   75   85   97  105  108  109  113  114  114  114 
LCS_GDT     D    55_A     D    55_A      5    8   24      4    4    5    6   11   12   15   24   30   39   43   52   67   85   93   95  100  109  111  112 
LCS_GDT     F    56_A     F    56_A      5   11   24      3    3    5    8   11   12   15   15   17   18   21   23   35   47   51   55   62   65   79   93 
LCS_GDT     N    57_A     N    57_A      9   11   24      7    8    9    9   11   12   15   15   17   18   22   28   35   39   51   55   62   70   79   91 
LCS_GDT     E    58_A     E    58_A      9   11   24      7    8    9    9   10   10   12   13   15   18   21   23   35   39   42   55   62   65   69   77 
LCS_GDT     L    59_A     L    59_A      9   11   24      7    8    9    9   10   10   10   12   15   16   21   23   26   32   36   40   45   50   61   65 
LCS_GDT     E    60_A     E    60_A      9   11   24      7    8    9    9   10   10   13   15   17   21   24   25   29   32   38   40   45   55   61   67 
LCS_GDT     T    61_A     T    61_A      9   11   24      7    8    9    9   10   10   12   15   16   21   24   25   35   39   42   49   56   64   77   83 
LCS_GDT     Y    62_A     Y    62_A      9   11   24      7    8    9    9   10   10   10   13   14   18   21   25   28   29   38   40   45   55   61   67 
LCS_GDT     M    63_A     M    63_A      9   11   24      7    8    9    9   10   10   11   13   14   18   21   23   26   28   31   36   40   46   55   59 
LCS_GDT     D    64_A     D    64_A      9   11   24      7    8    9    9   10   10   10   13   17   19   23   28   29   36   38   44   48   51   58   64 
LCS_GDT     S    65_A     S    65_A      9   11   24      4    7    9    9   10   10   10   13   17   20   23   28   29   36   38   44   48   51   58   67 
LCS_GDT     L    66_A     L    66_A      4   11   24      3    4    5    8   10   10   11   13   14   18   21   25   29   36   38   43   45   46   55   59 
LCS_GDT     T    67_A     T    67_A      4    6   24      3    4    5    6    6    9   11   13   14   18   21   23   28   29   31   36   40   44   47   59 
LCS_GDT     I    68_A     I    68_A      4    6   24      3    4    5    6    9   10   11   13   14   18   21   22   26   28   31   35   40   42   46   49 
LCS_GDT     P    69_A     P    69_A      4    8   24      3    4    4    6    9   10   11   13   14   16   19   22   25   28   31   35   40   42   46   48 
LCS_GDT     Q    70_A     Q    70_A      4    8   24      3    4    4    6    9   10   11   13   14   16   19   22   25   28   31   35   40   42   46   48 
LCS_GDT     D    71_A     D    71_A      4    8   24      3    3    5    6    9   10   11   13   14   16   18   20   23   23   27   29   38   42   45   48 
LCS_GDT     Q    72_A     Q    72_A      5    8   24      3    4    5    6    7   10   11   13   14   17   18   20   23   23   27   33   40   42   46   48 
LCS_GDT     N    73_A     N    73_A      5    8   24      3    4    5    6    9   10   11   13   14   17   18   20   23   23   27   29   40   42   46   48 
LCS_GDT     V    74_A     V    74_A      5    8   24      3    4    5    6    9   10   11   13   14   17   18   20   25   28   31   36   40   43   55   59 
LCS_GDT     Y    75_A     Y    75_A      5    8   24      3    4    5    6    9   10   11   13   14   17   18   19   23   25   30   35   40   43   55   59 
LCS_GDT     V    76_A     V    76_A      5    8   24      3    4    5    6    9   10   11   13   14   18   19   24   29   31   36   46   48   65   68   77 
LCS_GDT     A    77_A     A    77_A      4    6   24      3    3    4    4    6    8    9   13   14   17   20   28   35   39   51   55   62   65   72   82 
LCS_GDT     S    78_A     S    78_A      4    6   24      3    3    4    5    9   10   11   13   14   18   37   39   41   47   51   55   63   65   72   93 
LCS_GDT     V    79_A     V    79_A      4    6   24      2    3    4    4    7    9   11   12   14   17   18   19   23   25   27   35   62   65   68   72 
LCS_GDT     T    80_A     T    80_A      3    6   22      0    3    3    4    6    9   11   13   14   17   18   19   23   24   25   29   32   45   56   61 
LCS_GDT     E    81_A     E    81_A      3    4   21      3    3    3    5    7    9   11   12   13   17   17   25   27   27   29   35   38   43   52   56 
LCS_GDT     M    82_A     M    82_A      3    5   21      3    3    4    4    7    8   11   13   15   17   18   26   29   46   49   81   88   96   97  101 
LCS_GDT     E    83_A     E    83_A      3    5   21      3    3    4    5    7    7   10   13   15   17   18   25   27   27   29   81   88   96   97  100 
LCS_GDT     N    84_A     N    84_A      4    5   21      3    4    4    5    7    7   10   13   14   17   17   19   22   24   25   47   52   56   93   96 
LCS_GDT     T    85_A     T    85_A      4    5   21      3    4    4    5    5    7    9   12   14   17   17   19   36   41   43   47   57   59   66   70 
LCS_GDT     I    86_A     I    86_A      4    5   21      3    4    4    5    7    7   10   13   16   19   27   32   36   41   43   47   57   81   93  100 
LCS_GDT     I    87_A     I    87_A      4    4   21      3    4    4    4    5    6    6    8    9   11   15   27   33   38   41   47   57   60   88   95 
LCS_GDT     K    88_A     K    88_A      3    4   21      3    3    4    4    4    4    6    8    9    9   10   12   30   34   37   41   57   81   87   99 
LCS_GDT     N    89_A     N    89_A      3    4   21      0    3    4    4    4    5    6    8   11   12   21   24   32   55   62   70   76   88   98  100 
LCS_GDT     Q    90_A     Q    90_A      4    5   21      3    4    4    5    5    5    6    8    9   11   16   18   21   23   27   33   37   53   58   60 
LCS_GDT     L    91_A     L    91_A      4    5   15      3    4    4    5    5    5    5    6    7    9   11   13   16   20   22   25   26   26   27   29 
LCS_GDT     Q    92_A     Q    92_A      4    5   99      3    4    4    5    5    5    6    7    9   11   13   18   21   23   23   25   26   26   28   31 
LCS_GDT     E    93_A     E    93_A      4    5   99      3    4    4    5    5    6    9   12   14   21   28   51   58   77   95  105  108  112  114  117 
LCS_GDT     A    94_A     A    94_A      3    5   99      3    3    4    5    5    8   10   13   17   43   48   68   94  101  105  109  113  115  116  117 
LCS_GDT     F    95_A     F    95_A      3    5   99      3    3    4    5    7    7    9    9   11   20   22   28   29   67   80   98  102  112  116  117 
LCS_GDT     Y    96_A     Y    96_A      3    5   99      3    3    5    6    7    7   16   51   62   95  100  108  112  114  114  115  116  116  116  117 
LCS_GDT     G    97_A     G    97_A      4    7   99      3    4    4    8    9   15   25   62   74   88   92  102  109  114  114  115  116  116  116  117 
LCS_GDT     E    98_A     E    98_A      4    7   99      3    5    9   17   24   45   64   75   80   89   97  104  110  114  114  115  116  116  116  117 
LCS_GDT     M    99_A     M    99_A      4   42   99      3    5   33   54   69   79   88   95  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     S   100_A     S   100_A      4   42   99      3    4    8   48   64   79   88   95  102  105  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     I   101_A     I   101_A      7   42   99      4   11   29   50   68   78   88   95  102  105  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     Q   102_A     Q   102_A      7   42   99      4   14   34   54   68   79   88   95  102  105  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     I   103_A     I   103_A      7   42   99      4   11   38   54   69   79   88   95  102  105  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     G   104_A     G   104_A      7   42   99      6   24   41   61   69   79   88   95  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     Y   105_A     Y   105_A      7   42   99      3    6    7   44   69   79   88   95  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     C   106_A     C   106_A      7   42   99      3    6    8   44   69   79   88   95  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     N   107_A     N   107_A      7   42   99      4    6   24   54   69   79   88   95  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     G   108_A     G   108_A      4   42   99      3   26   42   61   69   79   88   95  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     P   109_A     P   109_A      4   42   99      3    4    6   22   64   78   88   95  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     N   110_A     N   110_A      4   42   99     12   32   48   61   69   79   88   95  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     S   111_A     S   111_A     11   42   99      3   22   42   61   69   79   88   95  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     T   112_A     T   112_A     11   42   99      3   15   42   61   69   79   88   95  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     L   113_A     L   113_A     11   42   99      3   15   42   61   69   79   88   95  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     N   114_A     N   114_A     12   42   99      3   20   34   46   67   79   88   95  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     G   115_A     G   115_A     25   42   99      7   32   48   61   69   79   88   95  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     L   116_A     L   116_A     25   42   99     17   35   48   61   69   79   88   95  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     E   117_A     E   117_A     25   42   99     17   35   48   61   69   79   88   95  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     Y   118_A     Y   118_A     25   42   99     17   35   48   61   69   79   88   95  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     H   119_A     H   119_A     25   42   99     17   35   48   61   69   79   88   95  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     K   120_A     K   120_A     25   42   99     14   35   48   61   69   79   88   95  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     S   121_A     S   121_A     25   42   99     14   35   48   61   69   79   88   95  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     S   122_A     S   122_A     25   42   99     17   35   48   61   69   79   88   95  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     E   123_A     E   123_A     25   42   99     17   35   48   61   69   79   88   95  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     I   124_A     I   124_A     25   42   99     17   35   48   61   69   79   88   95  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     N   125_A     N   125_A     25   42   99      6   35   48   61   69   79   88   95  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     I   126_A     I   126_A     25   42   99     13   35   48   61   69   79   88   95  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     A   127_A     A   127_A     25   42   99      7   35   48   61   69   79   88   95  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     I   128_A     I   128_A     25   42   99      5   35   48   61   69   79   88   95  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     T   129_A     T   129_A     25   42   99      5   35   48   61   69   79   88   95  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     D   130_A     D   130_A     25   42   99     17   35   48   61   69   79   88   95  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     M   131_A     M   131_A     25   42   99      5   31   46   58   69   79   88   95  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     V   132_A     V   132_A     25   42   99      8   34   46   61   69   79   88   95  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     L   133_A     L   133_A     25   42   99     17   35   48   61   69   79   88   95  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     L   134_A     L   134_A     25   42   99      8   35   48   61   69   79   88   95  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     L   135_A     L   135_A     25   42   99     13   35   48   61   69   79   88   95  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     G   136_A     G   136_A     25   42   99     14   35   48   61   69   79   88   95  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     K   137_A     K   137_A     25   42   99     13   35   48   61   69   79   88   95  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     V   138_A     V   138_A     25   42   99      4   18   33   58   67   79   88   95  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     Q   139_A     Q   139_A     25   42   99      4   18   37   58   66   79   86   95  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     E   140_A     E   140_A     10   42   99      4    4   18   40   65   78   86   95  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     V   141_A     V   141_A      4   41   99      4    4   18   28   63   77   88   95  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     E   142_A     E   142_A      4   40   99      4    9   19   36   64   77   88   95  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     N   143_A     N   143_A      4   19   99      4    4    5    6   15   36   45   67   88   95  104  112  113  113  113  115  116  116  116  116 
LCS_GDT     N   144_A     N   144_A      4   19   99      4   12   24   32   62   76   87   95  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     V   145_A     V   145_A      8   19   99      3    7   23   30   61   76   88   95  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     F   146_A     F   146_A      8   26   99      3   11   24   46   67   78   88   95  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     H   147_A     H   147_A      8   26   99      3    7   17   26   42   76   86   95  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     S   148_A     S   148_A      8   26   99      4    9   17   40   64   78   88   95  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     N   149_A     N   149_A      8   26   99      4    9   17   35   62   76   88   95  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     D   150_A     D   150_A      8   26   99      4    9   26   46   67   78   88   95  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     V   151_A     V   151_A      9   26   99      5   26   45   61   69   79   88   95  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     I   152_A     I   152_A      9   26   99     17   35   48   61   69   79   88   95  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     A   153_A     A   153_A     11   26   99     14   35   48   61   69   79   88   95  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     F   154_A     F   154_A     11   26   99      8   34   48   61   69   79   88   95  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     F   155_A     F   155_A     11   26   99      8   34   48   61   69   79   88   95  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     V   156_A     V   156_A     11   26   99      5   15   48   61   69   79   88   95  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     P   157_A     P   157_A     11   26   99      3   12   41   57   69   79   88   95  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     K   158_A     K   158_A     11   26   99      6   26   45   61   69   79   88   95  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     G   159_A     G   159_A     11   26   99      3   12   31   52   65   78   88   95  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     T   160_A     T   160_A     12   28   99      9   28   48   61   69   79   88   95  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     A   161_A     A   161_A     12   28   99     12   32   48   61   69   79   88   95  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     V   162_A     V   162_A     12   28   99     11   32   48   61   69   79   88   95  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     E   163_A     E   163_A     12   28   99     12   35   48   61   69   79   88   95  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     L   164_A     L   164_A     12   28   99     17   35   48   61   69   79   88   95  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     Y   165_A     Y   165_A     12   28   99     16   35   48   61   69   79   88   95  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     S   166_A     S   166_A     12   28   99      9   32   48   61   69   79   88   95  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     T   167_A     T   167_A     12   28   99      4   10   31   52   69   79   88   95  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     T   168_A     T   168_A     12   28   99      4   23   45   61   69   79   88   95  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     L   169_A     L   169_A     12   28   99     17   35   48   61   69   79   88   95  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     H   170_A     H   170_A     12   28   99     13   35   48   61   69   79   88   95  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     F   171_A     F   171_A     12   28   99      5   28   48   61   69   79   88   95  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     A   172_A     A   172_A      6   28   99      5   19   33   51   65   77   88   95  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     P   173_A     P   173_A     12   28   99      3    6   18   40   59   74   79   91  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     C   174_A     C   174_A     13   28   99      4   10   20   40   59   74   79   87   96  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     K   175_A     K   175_A     13   28   99      3   10   23   47   63   74   79   88  100  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     V   176_A     V   176_A     13   28   99      4   11   24   49   63   74   80   93  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     N   177_A     N   177_A     13   28   99      5   11   23   49   63   74   79   89  101  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     N   178_A     N   178_A     13   28   99      4   11   23   47   63   74   79   87   96  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     E   179_A     E   179_A     13   28   99      4   11   24   47   63   74   79   87   96  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     G   180_A     G   180_A     13   28   99      4   11   22   44   63   74   79   87   96  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     F   181_A     F   181_A     13   28   99      4   12   22   39   59   74   79   87   96  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     K   182_A     K   182_A     13   28   99      4    9   22   42   59   74   79   87   96  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     T   183_A     T   183_A     13   28   99      3   12   33   54   63   74   83   95  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     I   184_A     I   184_A     13   28   99      6   12   25   54   63   74   81   95  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     V   185_A     V   185_A     13   28   99      4   12   34   54   63   74   85   95  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     I   186_A     I   186_A     13   28   99      6   22   43   55   65   75   88   95  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     L   187_A     L   187_A      9   28   99      9   35   48   61   69   79   88   95  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     P   188_A     P   188_A      5   17   99      9   34   48   61   69   79   88   95  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     K   189_A     K   189_A      5    9   99      4    4    8   53   65   79   88   95  102  105  111  112  113  114  114  115  116  116  116  117 
LCS_GDT     G   190_A     G   190_A      5    9   99      6   12   38   56   69   79   88   95  102  106  111  112  113  114  114  115  116  116  116  117 
LCS_AVERAGE  LCS_A:  15.81  (   4.72   10.84   31.86 )

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     17     35     48     61     69     79     88     95    102    106    111    112    113    114    114    115    116    116    116    117 
GDT PERCENT_AT   7.66  15.77  21.62  27.48  31.08  35.59  39.64  42.79  45.95  47.75  50.00  50.45  50.90  51.35  51.35  51.80  52.25  52.25  52.25  52.70
GDT RMS_LOCAL    0.32   0.63   0.95   1.24   1.48   1.73   2.08   2.26   2.52   2.84   2.94   2.98   3.07   3.25   3.25   3.27   3.38   3.38   3.38   3.94
GDT RMS_ALL_AT  14.44  14.49  14.62  14.78  14.90  14.98  15.10  15.07  15.01  14.66  14.77  14.75  14.79  14.87  14.87  14.84  14.89  14.89  14.89  14.74

# Checking swapping
#   possible swapping detected:  F    36_A      F    36_A
#   possible swapping detected:  D    41_A      D    41_A
#   possible swapping detected:  E    53_A      E    53_A
#   possible swapping detected:  Y    54_A      Y    54_A
#   possible swapping detected:  D    55_A      D    55_A
#   possible swapping detected:  F    56_A      F    56_A
#   possible swapping detected:  E    60_A      E    60_A
#   possible swapping detected:  Y    62_A      Y    62_A
#   possible swapping detected:  D    64_A      D    64_A
#   possible swapping detected:  E    81_A      E    81_A
#   possible swapping detected:  E    83_A      E    83_A
#   possible swapping detected:  E    93_A      E    93_A
#   possible swapping detected:  E   117_A      E   117_A
#   possible swapping detected:  E   123_A      E   123_A
#   possible swapping detected:  F   146_A      F   146_A
#   possible swapping detected:  F   154_A      F   154_A
#   possible swapping detected:  F   155_A      F   155_A
#   possible swapping detected:  F   181_A      F   181_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    H    33_A      H    33_A     4.679     0    0.688   1.274     5.900   38.333   51.619
LGA    I    34_A      I    34_A     3.616     0    0.077   0.235     5.714   33.333   41.905
LGA    P    35_A      P    35_A     5.870     0    0.039   0.295     6.760   33.571   29.456
LGA    F    36_A      F    36_A     4.657     0    0.039   1.049     7.381   26.429   23.939
LGA    Y    37_A      Y    37_A     3.558     0    0.032   0.315     7.622   55.833   33.492
LGA    H    38_A      H    38_A     2.102     0    0.092   0.504     2.770   64.881   70.857
LGA    I    39_A      I    39_A     1.546     0    0.640   0.815     3.632   65.476   73.452
LGA    E    40_A      E    40_A     1.575     0    0.697   0.977     9.276   65.476   40.529
LGA    D    41_A      D    41_A     4.343     0    0.597   0.840     9.646   52.143   28.333
LGA    S    42_A      S    42_A     0.693     0    0.104   0.661     1.926   83.810   83.095
LGA    K    43_A      K    43_A     1.866     0    0.046   1.011     8.558   72.976   48.042
LGA    F    44_A      F    44_A     0.690     0    0.052   0.338     1.937   88.214   84.026
LGA    K    45_A      K    45_A     1.181     2    0.063   0.685     3.311   81.429   56.349
LGA    H    46_A      H    46_A     1.234     0    0.060   0.187     1.701   79.286   78.000
LGA    Y    47_A      Y    47_A     1.125     0    0.019   0.213     1.196   81.429   87.460
LGA    G    48_A      G    48_A     1.136     0    0.014   0.014     1.151   81.429   81.429
LGA    K    49_A      K    49_A     1.105     4    0.043   0.063     1.435   81.429   45.238
LGA    V    50_A      V    50_A     1.646     0    0.047   0.089     2.482   75.000   70.612
LGA    I    51_A      I    51_A     1.740     0    0.025   0.099     2.301   68.810   74.226
LGA    N    52_A      N    52_A     2.999     0    0.690   1.282     4.171   50.238   49.762
LGA    E    53_A      E    53_A     6.015     0    0.183   1.347    10.058   11.548   19.418
LGA    Y    54_A      Y    54_A    12.615     0    0.111   1.172    19.318    0.119    0.040
LGA    D    55_A      D    55_A    17.231     0    0.256   0.543    20.654    0.000    0.000
LGA    F    56_A      F    56_A    22.812     0    0.247   1.413    25.363    0.000    0.000
LGA    N    57_A      N    57_A    24.773     0    0.625   1.148    29.618    0.000    0.000
LGA    E    58_A      E    58_A    27.274     0    0.056   0.520    29.635    0.000    0.000
LGA    L    59_A      L    59_A    30.165     0    0.016   0.196    33.068    0.000    0.000
LGA    E    60_A      E    60_A    27.554     0    0.091   1.114    28.258    0.000    0.000
LGA    T    61_A      T    61_A    26.923     0    0.029   0.204    28.881    0.000    0.000
LGA    Y    62_A      Y    62_A    31.514     0    0.042   1.378    36.400    0.000    0.000
LGA    M    63_A      M    63_A    32.682     0    0.084   1.004    36.484    0.000    0.000
LGA    D    64_A      D    64_A    30.581     0    0.147   0.794    32.603    0.000    0.000
LGA    S    65_A      S    65_A    32.403     0    0.652   0.569    36.647    0.000    0.000
LGA    L    66_A      L    66_A    35.322     0    0.059   0.087    37.357    0.000    0.000
LGA    T    67_A      T    67_A    38.183     0    0.245   1.058    41.379    0.000    0.000
LGA    I    68_A      I    68_A    38.955     0    0.142   0.716    41.141    0.000    0.000
LGA    P    69_A      P    69_A    43.624     0    0.031   0.320    44.501    0.000    0.000
LGA    Q    70_A      Q    70_A    44.134     0    0.200   0.243    44.381    0.000    0.000
LGA    D    71_A      D    71_A    45.518     3    0.323   0.309    46.424    0.000    0.000
LGA    Q    72_A      Q    72_A    40.829     3    0.274   0.730    42.500    0.000    0.000
LGA    N    73_A      N    73_A    36.437     0    0.144   0.250    38.025    0.000    0.000
LGA    V    74_A      V    74_A    33.972     0    0.263   1.017    35.247    0.000    0.000
LGA    Y    75_A      Y    75_A    29.666     0    0.600   1.271    31.198    0.000    0.000
LGA    V    76_A      V    76_A    26.398     0    0.627   1.415    27.451    0.000    0.000
LGA    A    77_A      A    77_A    25.612     0    0.026   0.032    27.536    0.000    0.000
LGA    S    78_A      S    78_A    25.536     0    0.530   0.830    28.039    0.000    0.000
LGA    V    79_A      V    79_A    24.794     0    0.615   1.187    24.794    0.000    0.000
LGA    T    80_A      T    80_A    24.148     0    0.606   0.899    24.524    0.000    0.000
LGA    E    81_A      E    81_A    24.704     0    0.632   1.020    32.480    0.000    0.000
LGA    M    82_A      M    82_A    19.072     0    0.602   0.936    20.925    0.000    0.000
LGA    E    83_A      E    83_A    19.546     0    0.585   0.837    23.286    0.000    0.000
LGA    N    84_A      N    84_A    21.173     0    0.387   0.752    24.132    0.000    0.000
LGA    T    85_A      T    85_A    23.917     0    0.134   0.956    26.636    0.000    0.000
LGA    I    86_A      I    86_A    23.674     0    0.573   1.422    30.257    0.000    0.000
LGA    I    87_A      I    87_A    23.747     0    0.014   1.399    25.311    0.000    0.000
LGA    K    88_A      K    88_A    23.397     0    0.594   0.955    24.102    0.000    0.000
LGA    N    89_A      N    89_A    23.679     0    0.567   1.259    27.943    0.000    0.000
LGA    Q    90_A      Q    90_A    26.644     0    0.578   0.965    33.035    0.000    0.000
LGA    L    91_A      L    91_A    26.057     0    0.079   0.080    32.922    0.000    0.000
LGA    Q    92_A      Q    92_A    22.117     0    0.256   1.305    25.104    0.000    0.000
LGA    E    93_A      E    93_A    17.437     0    0.659   0.813    21.124    0.000    0.000
LGA    A    94_A      A    94_A    15.918     0    0.535   0.570    16.740    0.000    0.000
LGA    F    95_A      F    95_A    15.546     0    0.629   0.475    20.196    0.000    0.000
LGA    Y    96_A      Y    96_A     9.133     0    0.604   0.688    13.379    4.048    3.135
LGA    G    97_A      G    97_A     9.927     0    0.183   0.183     9.927    1.310    1.310
LGA    E    98_A      E    98_A     8.378     0    0.042   1.041    16.736    9.167    4.074
LGA    M    99_A      M    99_A     2.608     0    0.247   0.788     5.921   61.667   57.976
LGA    S   100_A      S   100_A     3.185     0    0.014   0.120     4.242   46.786   43.571
LGA    I   101_A      I   101_A     3.404     0    0.107   1.076     5.884   55.476   51.071
LGA    Q   102_A      Q   102_A     2.825     0    0.092   1.331     6.289   51.905   46.138
LGA    I   103_A      I   103_A     2.640     0    0.016   0.152     4.567   60.952   51.488
LGA    G   104_A      G   104_A     1.736     0    0.327   0.327     2.333   70.833   70.833
LGA    Y   105_A      Y   105_A     2.972     0    0.125   1.125     5.754   57.262   46.984
LGA    C   106_A      C   106_A     3.061     0    0.163   0.772     4.049   46.786   47.857
LGA    N   107_A      N   107_A     2.544     0    0.108   1.036     7.233   69.048   46.012
LGA    G   108_A      G   108_A     1.908     0    0.121   0.121     2.109   75.238   75.238
LGA    P   109_A      P   109_A     3.147     0    0.614   0.548     6.257   63.214   46.122
LGA    N   110_A      N   110_A     0.796     0    0.073   0.991     4.970   79.524   62.143
LGA    S   111_A      S   111_A     2.095     0    0.662   0.680     4.684   56.548   58.016
LGA    T   112_A      T   112_A     2.194     0    0.144   0.983     3.814   62.857   60.612
LGA    L   113_A      L   113_A     2.245     0    0.554   1.498     6.183   54.524   44.702
LGA    N   114_A      N   114_A     2.619     0    0.250   1.217     6.113   65.119   51.131
LGA    G   115_A      G   115_A     1.255     0    0.041   0.041     1.602   81.548   81.548
LGA    L   116_A      L   116_A     0.967     0    0.141   0.216     1.357   85.952   85.952
LGA    E   117_A      E   117_A     0.937     0    0.049   0.160     0.958   90.476   91.534
LGA    Y   118_A      Y   118_A     0.911     0    0.022   0.157     3.139   90.476   74.881
LGA    H   119_A      H   119_A     0.706     0    0.065   0.223     1.064   90.476   89.571
LGA    K   120_A      K   120_A     0.723     0    0.430   1.056     4.602   86.071   70.212
LGA    S   121_A      S   121_A     0.695     0    0.041   0.678     2.198   90.476   86.190
LGA    S   122_A      S   122_A     0.923     0    0.032   0.091     0.996   90.476   90.476
LGA    E   123_A      E   123_A     0.773     0    0.091   0.314     1.183   90.476   89.471
LGA    I   124_A      I   124_A     0.959     0    0.039   0.074     2.729   83.810   76.369
LGA    N   125_A      N   125_A     1.540     0    0.019   0.799     4.439   81.548   72.798
LGA    I   126_A      I   126_A     1.606     0    0.058   0.503     2.925   70.833   69.881
LGA    A   127_A      A   127_A     1.933     0    0.052   0.062     2.179   68.810   69.619
LGA    I   128_A      I   128_A     1.973     0    0.022   0.052     2.145   68.810   70.833
LGA    T   129_A      T   129_A     2.208     0    0.123   0.225     2.776   66.786   63.741
LGA    D   130_A      D   130_A     1.777     0    0.010   0.877     2.982   70.833   69.881
LGA    M   131_A      M   131_A     2.619     0    0.056   0.570     2.886   64.881   64.048
LGA    V   132_A      V   132_A     2.195     0    0.045   0.076     3.062   64.881   60.544
LGA    L   133_A      L   133_A     1.195     0    0.090   1.317     3.578   81.429   72.560
LGA    L   134_A      L   134_A     1.238     0    0.124   1.375     3.954   81.429   71.548
LGA    L   135_A      L   135_A     0.515     0    0.028   0.727     2.295   95.238   88.512
LGA    G   136_A      G   136_A     0.075     0    0.114   0.114     1.006   95.357   95.357
LGA    K   137_A      K   137_A     0.650     0    0.174   0.648     3.572   88.333   80.688
LGA    V   138_A      V   138_A     2.809     0    0.208   1.174     3.773   59.048   53.265
LGA    Q   139_A      Q   139_A     3.158     0    0.124   1.517     7.847   51.786   36.032
LGA    E   140_A      E   140_A     3.370     0    0.220   0.679     8.455   46.667   30.370
LGA    V   141_A      V   141_A     3.151     0    0.485   0.421     5.114   63.571   51.565
LGA    E   142_A      E   142_A     4.221     4    0.395   0.395     7.336   29.643   17.302
LGA    N   143_A      N   143_A     8.110     0    0.177   0.154    11.812    7.619    3.810
LGA    N   144_A      N   144_A     4.632     0    0.198   0.548     6.959   30.119   28.571
LGA    V   145_A      V   145_A     4.070     0    0.136   0.166     4.510   41.905   40.816
LGA    F   146_A      F   146_A     2.792     0    0.188   0.657     3.783   48.452   61.342
LGA    H   147_A      H   147_A     5.104     0    0.125   0.962     9.636   35.952   18.476
LGA    S   148_A      S   148_A     3.635     0    0.060   0.679     5.888   46.905   41.032
LGA    N   149_A      N   149_A     4.222     0    0.091   1.233     5.314   41.905   41.667
LGA    D   150_A      D   150_A     3.327     0    0.094   0.286     6.703   55.714   40.119
LGA    V   151_A      V   151_A     0.975     0    0.098   1.030     3.537   83.810   76.122
LGA    I   152_A      I   152_A     0.906     0    0.034   1.151     4.145   90.476   74.405
LGA    A   153_A      A   153_A     1.339     0    0.024   0.046     1.923   79.286   78.000
LGA    F   154_A      F   154_A     1.414     0    0.079   0.208     2.011   81.429   78.355
LGA    F   155_A      F   155_A     1.655     0    0.130   1.177     3.161   77.143   71.818
LGA    V   156_A      V   156_A     1.360     0    0.285   1.106     4.430   71.429   68.299
LGA    P   157_A      P   157_A     2.161     0    0.559   0.554     4.351   57.976   64.422
LGA    K   158_A      K   158_A     2.053     1    0.635   0.830     4.674   68.810   53.968
LGA    G   159_A      G   159_A     3.419     0    0.179   0.179     3.419   51.786   51.786
LGA    T   160_A      T   160_A     1.372     0    0.050   0.980     1.888   83.810   79.116
LGA    A   161_A      A   161_A     0.858     0    0.150   0.237     1.560   83.810   83.333
LGA    V   162_A      V   162_A     1.208     0    0.055   0.082     1.857   88.214   82.857
LGA    E   163_A      E   163_A     0.784     0    0.029   0.663     2.320   88.214   81.799
LGA    L   164_A      L   164_A     0.788     0    0.035   1.406     5.110   90.476   69.524
LGA    Y   165_A      Y   165_A     0.669     0    0.040   0.078     1.125   90.476   89.722
LGA    S   166_A      S   166_A     1.088     0    0.633   0.786     2.360   81.786   80.238
LGA    T   167_A      T   167_A     3.048     0    0.094   1.061     6.247   55.476   44.762
LGA    T   168_A      T   168_A     1.759     0    0.152   0.255     2.219   77.143   72.993
LGA    L   169_A      L   169_A     0.443     0    0.035   0.110     1.111   95.238   91.726
LGA    H   170_A      H   170_A     0.376     0    0.033   0.311     0.798   95.238   96.190
LGA    F   171_A      F   171_A     1.251     0    0.222   0.390     5.416   88.214   56.407
LGA    A   172_A      A   172_A     2.958     0    0.071   0.104     3.478   57.500   56.000
LGA    P   173_A      P   173_A     5.457     0    0.164   0.239     6.609   24.048   21.837
LGA    C   174_A      C   174_A     6.786     0    0.114   0.765     7.125   15.238   15.397
LGA    K   175_A      K   175_A     6.270     0    0.139   1.315    13.854   16.190    8.730
LGA    V   176_A      V   176_A     5.552     0    0.236   0.255     6.140   20.357   25.918
LGA    N   177_A      N   177_A     6.416     0    0.021   1.183     8.164   13.571   16.310
LGA    N   178_A      N   178_A     8.065     0    0.052   0.137     8.757    4.881    5.119
LGA    E   179_A      E   179_A     8.166     4    0.131   0.120     8.743    4.881    2.963
LGA    G   180_A      G   180_A     7.813     0    0.069   0.069     7.959    7.857    7.857
LGA    F   181_A      F   181_A     7.296     0    0.064   0.745     7.472   10.833   14.026
LGA    K   182_A      K   182_A     6.796     0    0.171   0.444     8.989   13.452    9.048
LGA    T   183_A      T   183_A     4.735     0    0.054   1.203     5.300   30.119   31.497
LGA    I   184_A      I   184_A     4.680     0    0.033   0.073     4.753   35.833   34.345
LGA    V   185_A      V   185_A     3.931     0    0.068   0.104     4.586   38.810   38.980
LGA    I   186_A      I   186_A     3.333     0    0.088   0.504     4.486   55.476   49.464
LGA    L   187_A      L   187_A     1.675     0    0.088   1.304     3.541   70.833   69.226
LGA    P   188_A      P   188_A     1.738     0    0.660   0.597     3.093   77.143   70.884
LGA    K   189_A      K   189_A     3.235     2    0.195   0.759     3.979   50.119   40.741
LGA    G   190_A      G   190_A     2.703     0    0.677   0.677     3.103   55.357   55.357

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      158     632    632  100.00    1241   1241  100.00               222
SUMMARY(RMSD_GDC):    12.127         12.041                 12.503           31.554   28.873

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  158  222    4.0     95    2.26    34.459    30.616     4.022

LGA_LOCAL      RMSD:   2.262  Number of atoms:   95  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  15.075  Number of assigned atoms:  158 
Std_ASGN_ATOMS RMSD:  12.127  Standard rmsd on all 158 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.785057 * X  +   0.198755 * Y  +  -0.586670 * Z  +  24.559145
  Y_new =   0.322854 * X  +  -0.939593 * Y  +   0.113710 * Z  +  83.735100
  Z_new =  -0.528631 * X  +  -0.278677 * Y  +  -0.801803 * Z  +  61.298393 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.390166  0.556987 -2.807090   [DEG:   22.3549   31.9130 -160.8344 ]
ZXZ: -1.762244  2.501102 -2.055941   [DEG: -100.9692  143.3026 -117.7967 ]
 
# END of job
