
#######################################################
#                                                     #
#                        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  139 ( 1163),  selected  139 , name one
# Molecule2: number of CA atoms  354 ( 2886),  selected  139 , 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:    58      69_A - 126_A       5.00    14.28
  LCS_AVERAGE:     10.23

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    27      89_A - 115_A       1.87    15.01
  LONGEST_CONTINUOUS_SEGMENT:    27      90_A - 116_A       1.92    15.02
  LCS_AVERAGE:      3.72

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    25      90_A - 114_A       0.86    15.49
  LCS_AVERAGE:      2.83

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  139
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     Y    43_A     Y    43_A      6    7   10      3    5    6    7    7    7    7    8    8    8    9    9    9   10   14   15   15   16   20   21 
LCS_GDT     P    44_A     P    44_A      6    7   10      3    5    6    7    7    7    7    8    8    8    9    9    9   10   11   15   15   16   17   17 
LCS_GDT     E    45_A     E    45_A      6    7   10      3    5    6    7    7    7    7    8    8    8    9   10   15   18   20   21   22   28   29   33 
LCS_GDT     F    46_A     F    46_A      6    7   10      3    5    6    7    7    7    8    8   10   10   11   13   15   18   29   31   33   36   46   50 
LCS_GDT     S    47_A     S    47_A      6    7   11      3    5    6    7    7   10   10   11   12   14   15   22   24   34   37   41   43   49   51   56 
LCS_GDT     W    48_A     W    48_A      6    7   11      3    5    6    7    7    7    7    8    9   11   19   22   24   27   29   41   48   56   61   70 
LCS_GDT     K    49_A     K    49_A      4    7   11      3    4    5    7    7    7    8    9   11   14   16   16   17   20   26   29   30   31   32   66 
LCS_GDT     T    50_A     T    50_A      5    7   11      3    5    6    6    7    7    8    9   11   14   16   16   17   21   26   41   48   56   65   73 
LCS_GDT     V    51_A     V    51_A      5    7   11      4    5    6    6    7    7    8    9   11   14   16   17   19   21   26   29   30   56   61   66 
LCS_GDT     P    52_A     P    52_A      5    7   13      4    5    6    6    7    7    8    9   10   14   16   17   19   21   26   29   48   56   61   72 
LCS_GDT     V    53_A     V    53_A      5    7   13      4    5    6    6    7    7    8    9   10   14   16   17   19   21   31   34   57   65   75   79 
LCS_GDT     A    54_A     A    54_A      5    7   13      4    5    6    6    7    7    9    9   17   20   23   24   40   45   61   64   69   74   80   86 
LCS_GDT     F    55_A     F    55_A      4    7   13      4    5   22   24   28   31   36   40   46   49   51   55   56   60   63   70   73   76   82   86 
LCS_GDT     H    56_A     H    56_A      4    6   13      4    5    9   15   25   34   40   43   46   49   51   55   56   60   63   70   73   76   82   86 
LCS_GDT     F    57_A     F    57_A      5    6   13      4    5    6    6    7    9   10   16   16   34   39   40   44   49   53   56   59   64   69   79 
LCS_GDT     A    58_A     A    58_A      5    6   13      0    4    6    6    7    9    9   11   13   14   17   24   29   30   37   40   50   54   58   62 
LCS_GDT     K    59_A     K    59_A      5    6   13      2    4    6    6    7    9    9   11   13   14   16   17   20   30   36   40   45   47   50   54 
LCS_GDT     R    60_A     R    60_A      5    6   13      1    4    6    6    7    9    9   11   13   14   16   17   29   30   31   40   45   47   49   54 
LCS_GDT     N    61_A     N    61_A      5    6   13      2    4    6    6    7    9    9   11   13   14   16   17   20   22   26   32   45   47   49   51 
LCS_GDT     G    62_A     G    62_A      4    6   13      0    3    5    6    6    7    9   10   12   13   13   17   20   23   36   40   45   47   49   54 
LCS_GDT     L    63_A     L    63_A      4    6   16      3    3    5    6    6    7    9   10   11   11   15   19   28   31   33   35   47   54   57   60 
LCS_GDT     M    64_A     M    64_A      5    6   16      3    5    5    6    6    7    9   10   10   12   15   19   28   31   33   35   39   54   57   60 
LCS_GDT     T    65_A     T    65_A      5    6   16      4    5    5    6    6    7    9   10   11   12   15   19   28   31   33   40   47   54   57   60 
LCS_GDT     D    66_A     D    66_A      5    6   16      4    5    5    5    6    7    9   10   11   11   14   19   22   24   31   33   39   44   57   60 
LCS_GDT     K    67_A     K    67_A      5    6   16      4    5    5    5    6    7    8   10   11   12   31   37   39   41   44   47   50   58   69   81 
LCS_GDT     E    68_A     E    68_A      5    6   16      4    5    5    5    6    7    8   10   11   16   21   35   39   41   44   47   50   54   68   77 
LCS_GDT     L    69_A     L    69_A      3    6   58      3    3    3    4    5    6    8   15   25   28   33   37   39   43   50   54   61   74   81   86 
LCS_GDT     D    70_A     D    70_A      3    6   58      3    3    3    5    6   13   14   16   25   28   38   45   49   51   57   58   67   75   82   86 
LCS_GDT     F    71_A     F    71_A      5    6   58      3    5    5    6    7   11   18   27   39   44   48   50   56   60   63   64   68   76   82   86 
LCS_GDT     V    72_A     V    72_A      5    6   58      4    5    5    6    7   10   17   26   38   44   48   51   56   60   63   70   73   76   82   86 
LCS_GDT     T    73_A     T    73_A      5    6   58      4    5    5    6    7    8   20   24   30   40   45   50   56   60   63   70   73   76   82   86 
LCS_GDT     S    74_A     S    74_A      5    8   58      4    5    9   14   23   31   36   42   46   49   51   55   56   60   63   70   73   76   82   86 
LCS_GDT     H    75_A     H    75_A      5    8   58      4   15   26   27   31   36   40   43   46   49   51   55   56   60   63   70   73   76   82   86 
LCS_GDT     S    76_A     S    76_A      3    8   58      3   10   17   27   31   36   40   43   46   49   51   55   56   60   63   70   73   76   82   86 
LCS_GDT     N    77_A     N    77_A      3    8   58      6   15   26   27   31   36   40   43   46   49   51   55   56   60   63   70   73   76   82   86 
LCS_GDT     F    78_A     F    78_A      6    8   58      4    6   10   21   31   36   40   43   46   49   51   55   56   60   63   70   73   76   82   86 
LCS_GDT     I    79_A     I    79_A      6    8   58      4    6    6   10   22   34   40   43   46   49   51   55   56   60   63   70   73   76   82   86 
LCS_GDT     V    80_A     V    80_A      6    8   58      4    6   10   17   30   36   40   43   46   49   51   55   56   60   63   70   73   76   82   86 
LCS_GDT     L    81_A     L    81_A      6    8   58      4    6    6   13   24   34   40   43   46   49   51   55   56   60   63   70   73   76   82   86 
LCS_GDT     E    82_A     E    82_A      6    7   58      3    6    9   14   31   36   40   43   46   49   51   55   56   60   63   70   73   76   82   86 
LCS_GDT     K    83_A     K    83_A      6    7   58      3    6    6   14   25   35   40   43   46   49   51   55   56   60   63   70   73   76   82   86 
LCS_GDT     G    84_A     G    84_A      5    7   58      3    4    5   11   23   32   36   40   45   49   51   55   56   60   63   70   73   76   82   86 
LCS_GDT     H    85_A     H    85_A      5    6   58      3    4    5    6    6    7    7    9   11   14   15   21   41   47   51   54   61   63   66   69 
LCS_GDT     G    86_A     G    86_A      5    6   58      3    4    5    6    6    7    7    9   11   14   18   22   28   37   48   52   55   58   60   63 
LCS_GDT     G    87_A     G    87_A      5    6   58      3    4    5    8    9   11   19   26   32   39   43   45   49   53   57   63   68   71   76   81 
LCS_GDT     D    88_A     D    88_A      5    6   58      3    4    5    8   13   21   32   35   42   47   51   55   56   60   63   70   73   75   82   86 
LCS_GDT     I    89_A     I    89_A      3   27   58      3    3    5   14   22   31   37   42   46   49   51   55   56   60   63   70   73   75   82   86 
LCS_GDT     R    90_A     R    90_A     25   27   58      5   21   26   27   31   36   40   43   46   49   51   55   56   60   63   70   73   76   82   86 
LCS_GDT     T    91_A     T    91_A     25   27   58      8   22   26   27   31   36   40   43   46   49   51   55   56   60   63   70   73   76   82   86 
LCS_GDT     E    92_A     E    92_A     25   27   58      7   22   26   27   31   36   40   43   46   49   51   55   56   60   63   70   73   76   82   86 
LCS_GDT     K    93_A     K    93_A     25   27   58     10   22   26   27   31   36   40   43   46   49   51   55   56   60   63   70   73   75   82   86 
LCS_GDT     G    94_A     G    94_A     25   27   58     13   22   26   27   31   36   40   43   46   49   51   55   56   60   63   70   73   76   82   86 
LCS_GDT     I    95_A     I    95_A     25   27   58     13   22   26   27   31   36   40   43   46   49   51   55   56   60   63   70   73   76   82   86 
LCS_GDT     D    96_A     D    96_A     25   27   58     13   22   26   27   31   36   40   43   46   49   51   55   56   60   63   70   73   76   82   86 
LCS_GDT     N    97_A     N    97_A     25   27   58     13   22   26   27   31   36   40   43   46   49   51   55   56   60   63   70   73   76   82   86 
LCS_GDT     E    98_A     E    98_A     25   27   58     13   22   26   27   31   36   40   43   46   49   51   55   56   60   63   70   73   76   82   86 
LCS_GDT     A    99_A     A    99_A     25   27   58     13   22   26   27   31   36   40   43   46   49   51   55   56   60   63   70   73   76   82   86 
LCS_GDT     Q   100_A     Q   100_A     25   27   58     13   22   26   27   31   36   40   43   46   49   51   55   56   60   63   70   73   76   82   86 
LCS_GDT     R   101_A     R   101_A     25   27   58     13   22   26   27   31   36   40   43   46   49   51   55   56   60   63   70   73   76   82   86 
LCS_GDT     I   102_A     I   102_A     25   27   58     13   22   26   27   31   36   40   43   46   49   51   55   56   60   63   70   73   76   82   86 
LCS_GDT     K   103_A     K   103_A     25   27   58     11   22   26   27   31   36   40   43   46   49   51   55   56   60   63   70   73   76   82   86 
LCS_GDT     D   104_A     D   104_A     25   27   58      7   22   26   27   31   36   40   43   46   49   51   55   56   60   63   70   73   76   82   86 
LCS_GDT     I   105_A     I   105_A     25   27   58     10   22   26   27   31   36   40   43   46   49   51   55   56   60   63   70   73   76   82   86 
LCS_GDT     N   106_A     N   106_A     25   27   58     13   22   26   27   31   36   40   43   46   49   51   55   56   60   63   70   73   76   82   86 
LCS_GDT     P   107_A     P   107_A     25   27   58     13   22   26   27   31   36   40   43   46   49   51   55   56   60   63   70   73   76   82   86 
LCS_GDT     K   108_A     K   108_A     25   27   58     13   22   26   27   31   36   40   43   46   49   51   55   56   60   63   68   73   74   80   86 
LCS_GDT     A   109_A     A   109_A     25   27   58     13   22   26   27   31   36   40   43   46   49   51   55   56   60   63   70   73   76   82   86 
LCS_GDT     K   110_A     K   110_A     25   27   58      7   22   26   27   31   36   40   43   46   49   51   55   56   60   63   70   73   75   82   86 
LCS_GDT     V   111_A     V   111_A     25   27   58      9   22   26   27   31   36   40   43   46   49   51   55   56   60   63   70   73   76   82   86 
LCS_GDT     V   112_A     V   112_A     25   27   58     13   22   26   27   31   36   40   43   46   49   51   55   56   60   63   70   73   76   82   86 
LCS_GDT     F   113_A     F   113_A     25   27   58      3   22   26   27   31   36   40   43   46   49   51   55   56   60   63   70   73   76   82   86 
LCS_GDT     Y   114_A     Y   114_A     25   27   58      3    6   22   25   31   36   40   43   46   49   51   55   56   60   63   70   73   76   82   86 
LCS_GDT     W   115_A     W   115_A      5   27   58      3    5    6    7   22   35   40   43   46   49   51   55   56   60   63   70   73   76   82   86 
LCS_GDT     N   116_A     N   116_A      5   27   58      3    5    5    9   16   26   35   43   46   49   51   55   56   60   63   70   73   76   82   86 
LCS_GDT     A   117_A     A   117_A      5   23   58      3    5    6    8   13   20   37   43   46   49   51   53   56   60   63   70   73   76   82   86 
LCS_GDT     F   118_A     F   118_A      4   23   58      3    7   17   26   31   36   40   43   46   49   51   55   56   60   63   70   73   76   82   86 
LCS_GDT     L   119_A     L   119_A      4   23   58      3    4   19   26   31   36   40   43   46   49   51   55   56   60   63   70   73   76   82   86 
LCS_GDT     D   120_A     D   120_A      4    8   58      3    4    6    7   14   23   34   42   46   49   51   55   56   60   63   70   73   76   82   86 
LCS_GDT     Y   121_A     Y   121_A      4    8   58      3    4   10   15   23   32   36   40   46   49   51   55   56   60   63   70   73   76   82   86 
LCS_GDT     N   122_A     N   122_A      4    8   58      3    4    6    8   14   22   32   39   41   47   51   55   56   60   63   70   73   76   82   86 
LCS_GDT     L   123_A     L   123_A      3    6   58      2    3    5    8   11   15   19   24   33   39   46   53   56   58   62   70   73   76   82   86 
LCS_GDT     Y   124_A     Y   124_A      3    5   58      2    3    4    8    9   10   21   29   33   42   47   55   56   58   63   70   73   76   82   86 
LCS_GDT     D   125_A     D   125_A      3    5   58      0    3    4    8   10   16   26   32   38   45   51   55   56   60   63   70   73   76   82   86 
LCS_GDT     A   126_A     A   126_A      3    5   58      3    3    3    6    8   14   19   24   39   41   45   50   56   60   63   64   71   76   82   86 
LCS_GDT     H   127_A     H   127_A      3    4   57      3    3    3    4    5    7    9   14   16   18   28   32   37   40   46   50   59   66   74   80 
LCS_GDT     K   128_A     K   128_A      3    4   41      3    3    3    4    5    6    7    9   11   15   18   21   24   43   46   54   63   74   81   86 
LCS_GDT     E   129_A     E   129_A      3    4   16      1    3    3    4    4    5    7   10   11   15   18   22   26   27   32   45   50   60   70   80 
LCS_GDT     Y   130_A     Y   130_A      3    4   16      3    3    3    4    5    5    7    9   11   14   15   19   21   23   28   33   39   44   57   62 
LCS_GDT     E   131_A     E   131_A      3    4   16      3    3    3    4    5    5    7   10   11   12   15   19   22   24   31   33   35   47   49   60 
LCS_GDT     N   132_A     N   132_A      3    4   16      3    3    5    6    6    7   11   12   16   18   22   25   29   32   36   40   45   54   57   60 
LCS_GDT     H   133_A     H   133_A      3    4   16      3    3    3    4    4    5    9   11   15   18   19   24   28   32   32   33   36   41   45   55 
LCS_GDT     K   134_A     K   134_A      3    4   16      3    3    4    4    5    5    8   12   16   18   20   24   28   32   32   33   36   41   49   55 
LCS_GDT     E   135_A     E   135_A      3    5   16      1    3    4    4    6    7    9   11   16   18   19   24   29   32   32   35   39   44   49   55 
LCS_GDT     W   136_A     W   136_A      4    5   16      3    3    4    4    6    8   11   13   18   21   23   29   34   41   44   46   50   54   64   76 
LCS_GDT     W   137_A     W   137_A      4    5   16      3    3    5    5    8   20   22   24   24   26   32   37   39   43   45   54   64   76   82   86 
LCS_GDT     L   138_A     L   138_A      4    5   23      3    3    5    5   14   20   22   24   24   26   32   37   39   43   45   58   67   76   82   86 
LCS_GDT     K   139_A     K   139_A      4    5   23      3    3    5    5   14   18   22   24   24   26   32   37   39   41   45   58   67   76   82   86 
LCS_GDT     K   140_A     K   140_A      4    5   23      3    3    4    4    5    8    9   11   15   26   26   28   28   32   39   45   50   60   70   79 
LCS_GDT     L   141_A     L   141_A      4    5   23      3    4    4    5    6    7    9   22   24   26   26   28   28   32   36   45   50   54   58   67 
LCS_GDT     D   142_A     D   142_A      4    5   23      3    4    4    5    6    7    9   21   24   26   26   28   28   32   36   40   50   54   57   60 
LCS_GDT     G   143_A     G   143_A      4    5   23      3    4    4    5    5    7    9   13   18   21   25   29   29   32   39   45   50   54   57   60 
LCS_GDT     N   144_A     N   144_A      4    5   23      3    4    4    5    6    8   11   17   22   25   31   37   39   43   45   51   57   70   80   86 
LCS_GDT     Y   145_A     Y   145_A      4    6   23      3    3    4    5    5    9   11   13   25   41   46   50   56   60   63   70   73   76   82   86 
LCS_GDT     D   146_A     D   146_A      4    6   23      3    3    4    5    7    9   11   31   37   39   42   49   56   60   63   70   73   76   82   86 
LCS_GDT     Y   147_A     Y   147_A      4    6   23      3    3    8   24   26   27   30   33   37   39   42   49   56   60   63   70   73   76   82   86 
LCS_GDT     K   148_A     K   148_A      4    6   23      3    3    4    5    5    5    8   22   24   32   37   39   42   45   51   56   67   73   80   85 
LCS_GDT     S   149_A     S   149_A      4    6   23      3    3    4    5    6    8   10   12   13   23   25   39   41   46   50   61   67   73   80   86 
LCS_GDT     A   150_A     A   150_A      5    9   23      2    3    5    5    7    9   14   34   39   44   48   55   56   60   63   70   73   76   82   86 
LCS_GDT     K   151_A     K   151_A      7    9   23      3    6    7    8    8    9   11   13   14   16   19   21   23   27   34   36   42   62   66   73 
LCS_GDT     V   152_A     V   152_A      7    9   23      3    6    7    8    8    9   11   13   14   16   19   21   21   23   25   34   37   40   44   52 
LCS_GDT     K   153_A     K   153_A      7    9   23      5    6    7    8    8    9   11   13   14   17   33   55   56   60   63   68   73   74   80   86 
LCS_GDT     R   154_A     R   154_A      7    9   25      5    6    7    8    8    9   11   13   14   36   48   55   56   60   63   70   73   75   82   86 
LCS_GDT     Y   155_A     Y   155_A      7    9   26      5    6    7    8   24   36   40   43   46   49   51   55   56   60   63   70   73   76   82   86 
LCS_GDT     D   156_A     D   156_A      7    9   26      5    6   17   26   31   36   40   43   46   49   51   55   56   60   63   70   73   76   82   86 
LCS_GDT     L   157_A     L   157_A      7   19   26      5    6   13   17   29   36   40   43   46   49   51   55   56   60   63   70   73   76   82   86 
LCS_GDT     S   158_A     S   158_A     18   21   26      9   17   17   19   19   20   22   24   24   26   33   37   41   48   58   70   73   76   82   86 
LCS_GDT     N   159_A     N   159_A     18   21   26     11   17   17   19   19   20   22   24   25   28   33   39   48   56   62   70   73   76   82   86 
LCS_GDT     P   160_A     P   160_A     18   21   26     11   17   17   19   19   20   22   24   25   28   33   39   44   55   61   70   73   76   82   86 
LCS_GDT     A   161_A     A   161_A     18   21   26      9   17   17   19   19   20   22   24   25   28   33   39   44   52   61   70   73   76   82   86 
LCS_GDT     F   162_A     F   162_A     18   21   26     10   17   17   19   19   20   22   24   25   28   33   39   44   53   61   70   73   76   82   86 
LCS_GDT     R   163_A     R   163_A     18   21   26     11   17   17   19   19   20   22   24   25   28   33   39   44   55   61   70   73   76   82   86 
LCS_GDT     K   164_A     K   164_A     18   21   26     11   17   17   19   19   20   22   24   25   28   33   39   44   52   59   70   73   76   82   86 
LCS_GDT     W   165_A     W   165_A     18   21   26     11   17   17   19   19   20   22   24   25   28   33   39   44   52   58   70   73   76   82   86 
LCS_GDT     W   166_A     W   166_A     18   21   26     11   17   17   19   19   20   22   24   25   28   33   38   44   52   60   70   73   76   82   86 
LCS_GDT     V   167_A     V   167_A     18   21   26     11   17   17   19   19   20   22   24   25   28   33   39   44   52   60   70   73   76   82   86 
LCS_GDT     S   168_A     S   168_A     18   21   26     11   17   17   19   19   20   22   24   25   28   33   37   40   47   56   64   72   76   82   86 
LCS_GDT     I   169_A     I   169_A     18   21   26     11   17   17   19   19   20   22   24   24   27   33   37   40   45   51   64   72   76   82   86 
LCS_GDT     A   170_A     A   170_A     18   21   26     11   17   17   19   19   20   22   24   25   28   33   37   44   52   57   70   73   76   82   86 
LCS_GDT     K   171_A     K   171_A     18   21   26     11   17   17   19   19   20   22   24   25   28   33   37   40   45   51   62   72   76   82   86 
LCS_GDT     K   172_A     K   172_A     18   21   26     11   17   17   19   19   20   22   24   24   26   33   37   40   45   51   56   66   71   79   86 
LCS_GDT     A   173_A     A   173_A     18   21   26     11   17   17   19   19   20   22   24   24   26   33   37   39   45   51   62   66   76   82   86 
LCS_GDT     V   174_A     V   174_A     18   21   26      9   17   17   19   19   20   22   24   24   28   33   37   40   45   51   62   72   76   82   86 
LCS_GDT     V   175_A     V   175_A     18   21   26      4    8   17   19   19   20   22   24   24   28   33   37   40   45   51   62   66   76   82   86 
LCS_GDT     D   176_A     D   176_A      9   21   26      4    4    5   11   17   20   22   24   24   28   33   37   39   43   49   56   61   71   79   86 
LCS_GDT     G   177_A     G   177_A      3   21   26      3    3    4    5    6   10   21   24   24   26   26   28   31   41   45   47   50   58   65   71 
LCS_GDT     H   178_A     H   178_A      4   21   26      3    3    6   19   19   20   22   24   24   25   29   34   37   43   47   62   66   76   82   86 
LCS_GDT     A   179_A     A   179_A      4    6   26      3    3    4    5    6    6    7    9   16   23   26   28   28   28   31   31   33   37   49   56 
LCS_GDT     D   180_A     D   180_A      4    6   26      3    3    4    4    5    6    6    8   10   10   14   19   24   26   29   31   31   32   33   34 
LCS_GDT     G   181_A     G   181_A      4    6   24      0    3    4    5    5    6    7    9   10   10   10   12   14   15   16   19   22   23   26   28 
LCS_AVERAGE  LCS_A:   5.59  (   2.83    3.72   10.23 )

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     26     27     31     36     40     43     46     49     51     55     56     60     63     70     73     76     82     86 
GDT PERCENT_AT   3.67   6.21   7.34   7.63   8.76  10.17  11.30  12.15  12.99  13.84  14.41  15.54  15.82  16.95  17.80  19.77  20.62  21.47  23.16  24.29
GDT RMS_LOCAL    0.33   0.55   0.85   1.04   1.52   1.84   2.14   2.38   2.71   2.89   3.20   3.72   3.85   4.19   4.42   5.62   5.74   6.53   6.72   6.80
GDT RMS_ALL_AT  15.78  15.65  15.39  15.30  14.92  14.90  14.92  14.94  14.65  14.66  14.50  14.37  14.34  14.30  14.21  13.37  13.38  12.84  12.87  13.00

# Checking swapping
#   possible swapping detected:  Y    43_A      Y    43_A
#   possible swapping detected:  F    46_A      F    46_A
#   possible swapping detected:  F    55_A      F    55_A
#   possible swapping detected:  E    82_A      E    82_A
#   possible swapping detected:  D    88_A      D    88_A
#   possible swapping detected:  E    98_A      E    98_A
#   possible swapping detected:  F   113_A      F   113_A
#   possible swapping detected:  Y   114_A      Y   114_A
#   possible swapping detected:  F   118_A      F   118_A
#   possible swapping detected:  D   120_A      D   120_A
#   possible swapping detected:  Y   121_A      Y   121_A
#   possible swapping detected:  D   125_A      D   125_A
#   possible swapping detected:  E   135_A      E   135_A
#   possible swapping detected:  Y   145_A      Y   145_A
#   possible swapping detected:  D   146_A      D   146_A
#   possible swapping detected:  D   156_A      D   156_A
#   possible swapping detected:  F   162_A      F   162_A
#   possible swapping detected:  D   180_A      D   180_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Y    43_A      Y    43_A    37.970     0    0.384   0.767    45.405    0.000    0.000
LGA    P    44_A      P    44_A    32.576     0    0.097   0.208    34.349    0.000    0.000
LGA    E    45_A      E    45_A    30.617     0    0.126   1.362    33.135    0.000    0.000
LGA    F    46_A      F    46_A    28.038     0    0.098   0.995    29.158    0.000    0.000
LGA    S    47_A      S    47_A    26.227     0    0.030   0.115    26.434    0.000    0.000
LGA    W    48_A      W    48_A    24.154     0    0.570   1.332    25.053    0.000    0.000
LGA    K    49_A      K    49_A    23.907     4    0.597   0.579    24.052    0.000    0.000
LGA    T    50_A      T    50_A    19.955     0    0.020   1.122    22.116    0.000    0.000
LGA    V    51_A      V    51_A    20.497     0    0.025   0.096    23.012    0.000    0.000
LGA    P    52_A      P    52_A    18.218     0    0.028   0.280    22.195    0.000    0.000
LGA    V    53_A      V    53_A    13.217     0    0.029   0.151    14.524    0.000    0.000
LGA    A    54_A      A    54_A    10.791     0    0.677   0.637    11.608    1.071    0.857
LGA    F    55_A      F    55_A     5.133     0    0.020   1.202    12.060   42.262   16.623
LGA    H    56_A      H    56_A     3.357     0    0.221   1.370     8.997   38.333   24.381
LGA    F    57_A      F    57_A    10.610     0    0.171   1.143    16.169    1.786    0.649
LGA    A    58_A      A    58_A    15.121     0    0.132   0.168    17.626    0.000    0.000
LGA    K    59_A      K    59_A    19.211     0    0.243   0.830    25.830    0.000    0.000
LGA    R    60_A      R    60_A    22.127     0    0.712   1.323    26.506    0.000    0.000
LGA    N    61_A      N    61_A    25.487     0    0.689   1.125    25.619    0.000    0.000
LGA    G    62_A      G    62_A    25.420     0    0.224   0.224    25.420    0.000    0.000
LGA    L    63_A      L    63_A    22.503     0    0.367   0.392    23.286    0.000    0.000
LGA    M    64_A      M    64_A    22.452     0    0.150   0.205    23.547    0.000    0.000
LGA    T    65_A      T    65_A    22.116     0    0.114   1.068    22.116    0.000    0.000
LGA    D    66_A      D    66_A    21.365     0    0.139   0.266    26.195    0.000    0.000
LGA    K    67_A      K    67_A    14.597     0    0.596   1.013    16.972    0.000    1.587
LGA    E    68_A      E    68_A    14.501     0    0.600   1.088    20.205    0.000    0.000
LGA    L    69_A      L    69_A    13.148     0    0.617   1.307    15.338    0.000    0.000
LGA    D    70_A      D    70_A    11.703     1    0.135   0.898    13.507    0.000    0.000
LGA    F    71_A      F    71_A     8.626     0    0.489   1.373     9.771    7.976    5.844
LGA    V    72_A      V    72_A     7.536     0    0.104   0.115     9.090    9.762    7.211
LGA    T    73_A      T    73_A     9.476     0    0.093   1.032    12.147    2.976    1.701
LGA    S    74_A      S    74_A     5.625     0    0.200   0.207     6.846   28.810   30.635
LGA    H    75_A      H    75_A     3.263     0    0.643   1.637     9.102   43.929   27.333
LGA    S    76_A      S    76_A     1.810     0    0.192   0.628     6.192   71.071   57.460
LGA    N    77_A      N    77_A     2.999     0    0.575   1.287     8.523   67.024   42.560
LGA    F    78_A      F    78_A     2.134     0    0.592   1.140     9.906   57.857   33.983
LGA    I    79_A      I    79_A     3.740     0    0.050   0.359     9.577   53.810   31.250
LGA    V    80_A      V    80_A     2.367     0    0.083   0.928     6.611   52.619   38.912
LGA    L    81_A      L    81_A     3.526     0    0.049   1.123    10.007   57.500   32.679
LGA    E    82_A      E    82_A     2.565     0    0.116   0.800     8.177   48.929   31.058
LGA    K    83_A      K    83_A     3.319     0    0.090   1.032     7.368   53.810   35.873
LGA    G    84_A      G    84_A     5.748     0    0.709   0.709    10.396   14.405   14.405
LGA    H    85_A      H    85_A    11.588     0    0.564   1.311    16.232    0.714    0.286
LGA    G    86_A      G    86_A    13.741     0    0.711   0.711    13.741    0.000    0.000
LGA    G    87_A      G    87_A    11.614     0    0.196   0.196    12.152    0.000    0.000
LGA    D    88_A      D    88_A     9.019     0    0.729   0.576    10.014    5.476    4.226
LGA    I    89_A      I    89_A     6.068     0    0.168   1.199    11.690   31.190   17.798
LGA    R    90_A      R    90_A     3.506     3    0.572   1.146     5.494   50.238   31.429
LGA    T    91_A      T    91_A     2.754     0    0.068   0.059     3.284   60.952   58.299
LGA    E    92_A      E    92_A     1.795     0    0.021   0.627     3.514   70.833   66.878
LGA    K    93_A      K    93_A     1.860     4    0.026   0.024     1.972   72.857   40.476
LGA    G    94_A      G    94_A     1.989     0    0.036   0.036     2.113   70.833   70.833
LGA    I    95_A      I    95_A     1.817     0    0.035   0.646     3.431   72.857   68.988
LGA    D    96_A      D    96_A     1.854     0    0.021   0.640     2.206   72.857   71.845
LGA    N    97_A      N    97_A     1.605     0    0.006   0.074     1.989   77.143   75.000
LGA    E    98_A      E    98_A     0.849     0    0.063   1.229     4.966   88.214   71.005
LGA    A    99_A      A    99_A     1.116     0    0.019   0.024     1.404   85.952   85.048
LGA    Q   100_A      Q   100_A     1.168     0    0.020   0.827     2.847   85.952   76.984
LGA    R   101_A      R   101_A     0.770     0    0.020   0.992     4.981   92.857   75.152
LGA    I   102_A      I   102_A     0.529     0    0.054   0.075     1.189   90.595   88.274
LGA    K   103_A      K   103_A     0.419     0    0.152   1.034     2.084   92.976   86.825
LGA    D   104_A      D   104_A     1.576     0    0.044   0.162     2.560   73.333   69.107
LGA    I   105_A      I   105_A     2.154     0    0.033   0.093     2.827   64.881   63.869
LGA    N   106_A      N   106_A     2.014     0    0.036   0.333     2.355   72.976   69.881
LGA    P   107_A      P   107_A     1.328     0    0.016   0.156     1.883   81.548   77.823
LGA    K   108_A      K   108_A     1.504     0    0.031   1.141     6.715   72.857   60.053
LGA    A   109_A      A   109_A     1.576     0    0.116   0.132     1.576   77.143   76.286
LGA    K   110_A      K   110_A     1.519     0    0.004   0.696     4.380   72.857   66.349
LGA    V   111_A      V   111_A     1.371     0    0.024   0.045     1.600   77.143   78.980
LGA    V   112_A      V   112_A     2.237     0    0.030   1.067     3.493   72.976   66.259
LGA    F   113_A      F   113_A     1.608     0    0.098   0.213     3.593   68.929   59.697
LGA    Y   114_A      Y   114_A     2.558     0    0.082   1.417    12.309   61.548   26.349
LGA    W   115_A      W   115_A     3.372     0    0.073   1.530    12.380   63.333   21.429
LGA    N   116_A      N   116_A     4.735     0    0.487   1.398     7.833   26.905   17.738
LGA    A   117_A      A   117_A     4.304     0    0.729   0.686     5.783   46.786   41.714
LGA    F   118_A      F   118_A     0.884     0    0.166   1.493     3.035   71.667   76.710
LGA    L   119_A      L   119_A     1.267     0    0.645   0.849     3.585   79.405   69.464
LGA    D   120_A      D   120_A     4.933     0    0.112   1.045     9.963   25.238   14.167
LGA    Y   121_A      Y   121_A     6.924     0    0.108   1.112    12.914   21.071    8.254
LGA    N   122_A      N   122_A     9.465     0    0.434   0.516    13.187    0.714    0.536
LGA    L   123_A      L   123_A    12.029     0    0.652   0.578    15.772    0.000    0.000
LGA    Y   124_A      Y   124_A    11.152     0    0.681   1.323    18.429    0.000    0.000
LGA    D   125_A      D   125_A    10.540     0    0.601   1.366    13.811    1.071    0.536
LGA    A   126_A      A   126_A    10.528     0    0.646   0.589    14.242    0.000    0.095
LGA    H   127_A      H   127_A    17.842     0    0.475   1.200    23.430    0.000    0.000
LGA    K   128_A      K   128_A    18.309     4    0.600   0.569    19.163    0.000    0.000
LGA    E   129_A      E   129_A    20.032     0    0.547   0.990    22.270    0.000    0.000
LGA    Y   130_A      Y   130_A    22.370     0    0.579   1.131    26.079    0.000    0.000
LGA    E   131_A      E   131_A    27.173     0    0.180   1.276    32.388    0.000    0.000
LGA    N   132_A      N   132_A    25.601     0    0.578   0.696    26.660    0.000    0.000
LGA    H   133_A      H   133_A    27.078     0    0.463   1.288    27.809    0.000    0.000
LGA    K   134_A      K   134_A    26.327     0    0.637   1.175    33.723    0.000    0.000
LGA    E   135_A      E   135_A    23.169     0    0.706   1.012    24.034    0.000    0.000
LGA    W   136_A      W   136_A    17.276     0    0.704   1.125    19.591    0.000    0.000
LGA    W   137_A      W   137_A    14.539     0    0.191   0.778    21.095    0.000    0.000
LGA    L   138_A      L   138_A    13.772     0    0.604   1.417    14.957    0.000    0.000
LGA    K   139_A      K   139_A    13.858     0    0.599   1.267    14.427    0.000    0.000
LGA    K   140_A      K   140_A    18.198     0    0.641   0.851    24.980    0.000    0.000
LGA    L   141_A      L   141_A    20.264     0    0.578   0.829    22.547    0.000    0.000
LGA    D   142_A      D   142_A    22.841     0    0.639   1.369    23.977    0.000    0.000
LGA    G   143_A      G   143_A    19.369     0    0.364   0.364    20.649    0.000    0.000
LGA    N   144_A      N   144_A    15.914     0    0.635   1.264    21.732    0.000    0.000
LGA    Y   145_A      Y   145_A     9.751     0    0.640   1.213    11.931    0.833    0.714
LGA    D   146_A      D   146_A     8.907     0    0.033   0.997    12.188    2.500    1.667
LGA    Y   147_A      Y   147_A    10.167     0    0.165   1.235    11.908    0.119    0.357
LGA    K   148_A      K   148_A    13.810     0    0.168   0.956    18.460    0.000    0.000
LGA    S   149_A      S   149_A    15.596     0    0.707   0.630    17.640    0.000    0.000
LGA    A   150_A      A   150_A    12.686     0    0.618   0.578    13.335    0.119    0.095
LGA    K   151_A      K   151_A    14.396     0    0.600   0.895    18.844    0.000    0.000
LGA    V   152_A      V   152_A    14.654     0    0.253   0.211    19.305    0.000    0.000
LGA    K   153_A      K   153_A     8.491     0    0.208   1.543    10.406    3.095   13.175
LGA    R   154_A      R   154_A     7.596     0    0.051   0.761    11.532   17.381    6.623
LGA    Y   155_A      Y   155_A     3.041     0    0.082   0.914     9.774   56.786   27.778
LGA    D   156_A      D   156_A     1.253     0    0.233   1.226     4.475   70.833   57.143
LGA    L   157_A      L   157_A     2.921     0    0.672   0.713     6.107   50.357   46.488
LGA    S   158_A      S   158_A     9.073     0    0.540   0.803    12.798    3.810    2.540
LGA    N   159_A      N   159_A    10.150     0    0.063   0.273    12.598    0.357    0.179
LGA    P   160_A      P   160_A    12.960     0    0.037   0.324    14.631    0.000    0.000
LGA    A   161_A      A   161_A    15.389     0    0.012   0.012    15.960    0.000    0.000
LGA    F   162_A      F   162_A    13.380     0    0.036   1.765    13.833    0.000    1.342
LGA    R   163_A      R   163_A    12.675     0    0.020   1.330    16.642    0.000    0.000
LGA    K   164_A      K   164_A    16.294     0    0.020   1.073    21.592    0.000    0.000
LGA    W   165_A      W   165_A    16.558     0    0.023   1.201    20.161    0.000    0.000
LGA    W   166_A      W   166_A    13.972     0    0.054   0.907    14.551    0.000    0.000
LGA    V   167_A      V   167_A    15.312     0    0.019   0.107    16.944    0.000    0.000
LGA    S   168_A      S   168_A    18.744     0    0.039   0.086    19.959    0.000    0.000
LGA    I   169_A      I   169_A    17.066     0    0.029   0.695    17.311    0.000    0.000
LGA    A   170_A      A   170_A    14.759     0    0.047   0.051    16.161    0.000    0.000
LGA    K   171_A      K   171_A    18.728     0    0.038   1.098    25.827    0.000    0.000
LGA    K   172_A      K   172_A    20.903     0    0.076   1.217    24.743    0.000    0.000
LGA    A   173_A      A   173_A    17.701     0    0.025   0.023    18.533    0.000    0.000
LGA    V   174_A      V   174_A    17.546     0    0.176   1.203    19.562    0.000    0.000
LGA    V   175_A      V   175_A    21.183     0    0.064   0.068    23.242    0.000    0.000
LGA    D   176_A      D   176_A    22.797     0    0.460   0.395    24.538    0.000    0.000
LGA    G   177_A      G   177_A    23.430     0    0.371   0.371    23.430    0.000    0.000
LGA    H   178_A      H   178_A    17.644     0    0.216   1.159    20.083    0.000    0.000
LGA    A   179_A      A   179_A    19.304     0    0.103   0.137    20.591    0.000    0.000
LGA    D   180_A      D   180_A    19.909     0    0.743   1.239    21.308    0.000    0.000
LGA    G   181_A      G   181_A    25.501     0    0.048   0.048    28.844    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      139     556    556  100.00    1147   1147  100.00               354
SUMMARY(RMSD_GDC):    12.435         12.368                 12.960            8.799    7.197

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  139  354    4.0     43    2.38    11.441     9.566     1.737

LGA_LOCAL      RMSD:   2.375  Number of atoms:   43  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  14.938  Number of assigned atoms:  139 
Std_ASGN_ATOMS RMSD:  12.435  Standard rmsd on all 139 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.704245 * X  +   0.694580 * Y  +  -0.146961 * Z  + -85.560410
  Y_new =   0.228069 * X  +  -0.417362 * Y  +  -0.879655 * Z  +  64.388107
  Z_new =  -0.672327 * X  +   0.585976 * Y  +  -0.452337 * Z  +  -1.287392 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.313190  0.737348  2.228191   [DEG:   17.9445   42.2469  127.6659 ]
ZXZ: -0.165538  2.040180 -0.853916   [DEG:   -9.4846  116.8937  -48.9258 ]
 
# END of job
