
#######################################################
#                                                     #
#                        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  137 ( 1129),  selected  137 , name one
# Molecule2: number of CA atoms  447 ( 3606),  selected  137 , 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:    98      12_A - 109_A       4.44    19.39
  LCS_AVERAGE:     16.78

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    31      73_A - 103_A       1.88    19.42
  LCS_AVERAGE:      4.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    16      15_A - 30_A        0.99    19.80
  LCS_AVERAGE:      1.84

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  137
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     R    12_A     R    12_A      4    9   98      3    4    5    7   10   12   31   63   74   83   86   89   91   93   93   94   94   95   95   96 
LCS_GDT     Q    13_A     Q    13_A      4   18   98      3    4    4    5   24   25   45   75   82   85   87   90   91   93   93   94   94   95   95   96 
LCS_GDT     V    14_A     V    14_A      4   18   98      3   18   49   58   68   72   76   81   84   87   89   90   91   93   93   94   94   95   95   96 
LCS_GDT     S    15_A     S    15_A     16   18   98      4   27   47   59   65   72   76   81   84   87   89   90   91   93   93   94   94   95   95   96 
LCS_GDT     S    16_A     S    16_A     16   18   98      4   19   50   59   68   72   76   81   84   87   89   90   91   93   93   94   94   95   95   96 
LCS_GDT     L    17_A     L    17_A     16   18   98     10   41   51   59   68   72   76   81   84   87   89   90   91   93   93   94   94   95   95   96 
LCS_GDT     V    18_A     V    18_A     16   18   98      5   41   51   59   68   72   76   81   84   87   89   90   91   93   93   94   94   95   95   96 
LCS_GDT     L    19_A     L    19_A     16   18   98     27   44   51   59   68   72   76   81   84   87   89   90   91   93   93   94   94   95   95   96 
LCS_GDT     H    20_A     H    20_A     16   18   98     27   44   51   59   68   72   76   81   84   87   89   90   91   93   93   94   94   95   95   96 
LCS_GDT     I    21_A     I    21_A     16   18   98     27   44   51   59   68   72   76   81   84   87   89   90   91   93   93   94   94   95   95   96 
LCS_GDT     E    22_A     E    22_A     16   18   98     27   44   51   59   68   72   76   81   84   87   89   90   91   93   93   94   94   95   95   96 
LCS_GDT     E    23_A     E    23_A     16   18   98     27   44   51   59   68   72   76   81   84   87   89   90   91   93   93   94   94   95   95   96 
LCS_GDT     A    24_A     A    24_A     16   18   98     27   44   51   59   68   72   76   81   84   87   89   90   91   93   93   94   94   95   95   96 
LCS_GDT     H    25_A     H    25_A     16   18   98     27   44   51   59   68   72   76   81   84   87   89   90   91   93   93   94   94   95   95   96 
LCS_GDT     K    26_A     K    26_A     16   18   98     26   44   51   59   68   72   76   81   84   87   89   90   91   93   93   94   94   95   95   96 
LCS_GDT     L    27_A     L    27_A     16   18   98     23   44   51   59   68   72   76   81   84   87   89   90   91   93   93   94   94   95   95   96 
LCS_GDT     P    28_A     P    28_A     16   18   98      9   41   51   59   68   72   76   81   84   87   89   90   91   93   93   94   94   95   95   96 
LCS_GDT     V    29_A     V    29_A     16   18   98      3   18   45   59   68   72   76   81   84   87   89   90   91   93   93   94   94   95   95   96 
LCS_GDT     K    30_A     K    30_A     16   18   98      3   15   45   57   68   72   76   81   84   87   89   90   91   93   93   94   94   95   95   96 
LCS_GDT     H    31_A     H    31_A      4   17   98      3    3    4    5    6    9   25   31   73   79   84   88   90   93   93   94   94   95   95   96 
LCS_GDT     F    32_A     F    32_A      4   10   98      3    3    5    9   26   58   68   79   84   87   89   90   91   93   93   94   94   95   95   96 
LCS_GDT     T    33_A     T    33_A      9   16   98      6   38   51   59   68   72   76   81   84   87   89   90   91   93   93   94   94   95   95   96 
LCS_GDT     N    34_A     N    34_A      9   16   98     27   44   51   59   68   72   76   81   84   87   89   90   91   93   93   94   94   95   95   96 
LCS_GDT     P    35_A     P    35_A      9   16   98     27   44   51   59   68   72   76   81   84   87   89   90   91   93   93   94   94   95   95   96 
LCS_GDT     Y    36_A     Y    36_A      9   16   98     27   44   51   59   68   72   76   81   84   87   89   90   91   93   93   94   94   95   95   96 
LCS_GDT     C    37_A     C    37_A      9   16   98     27   44   51   59   68   72   76   81   84   87   89   90   91   93   93   94   94   95   95   96 
LCS_GDT     N    38_A     N    38_A      9   16   98     27   44   51   59   68   72   76   81   84   87   89   90   91   93   93   94   94   95   95   96 
LCS_GDT     I    39_A     I    39_A      9   16   98     15   44   51   59   68   72   76   81   84   87   89   90   91   93   93   94   94   95   95   96 
LCS_GDT     Y    40_A     Y    40_A      9   16   98     27   44   51   59   68   72   76   81   84   87   89   90   91   93   93   94   94   95   95   96 
LCS_GDT     L    41_A     L    41_A      9   16   98     27   44   51   59   68   72   76   81   84   87   89   90   91   93   93   94   94   95   95   96 
LCS_GDT     N    42_A     N    42_A      9   16   98      4    7   11   42   64   72   76   81   84   87   89   90   91   93   93   94   94   95   95   96 
LCS_GDT     S    43_A     S    43_A      8   16   98      4    6   10   12   18   42   64   76   81   86   89   90   91   93   93   94   94   95   95   96 
LCS_GDT     V    44_A     V    44_A      8   19   98      4    8   24   39   63   69   76   81   84   87   89   90   91   93   93   94   94   95   95   96 
LCS_GDT     Q    45_A     Q    45_A      8   22   98      4   27   49   59   68   72   76   81   84   87   89   90   91   93   93   94   94   95   95   96 
LCS_GDT     V    46_A     V    46_A      7   22   98      3    7   19   48   64   72   76   81   84   87   89   90   91   93   93   94   94   95   95   96 
LCS_GDT     A    47_A     A    47_A      7   22   98      3    4    8   21   64   68   76   81   84   87   89   90   91   93   93   94   94   95   95   96 
LCS_GDT     K    48_A     K    48_A      5   22   98      3   13   24   53   65   72   76   81   84   87   89   90   91   93   93   94   94   95   95   96 
LCS_GDT     T    49_A     T    49_A      5   22   98      3    5    5   19   36   56   75   81   84   87   89   90   91   93   93   94   94   95   95   96 
LCS_GDT     H    50_A     H    50_A      5   22   98      8   26   50   59   68   72   76   81   84   87   89   90   91   93   93   94   94   95   95   96 
LCS_GDT     A    51_A     A    51_A      5   22   98     27   44   51   59   68   72   76   81   84   87   89   90   91   93   93   94   94   95   95   96 
LCS_GDT     R    52_A     R    52_A      5   22   98      3    7   17   56   68   72   76   81   84   87   89   90   91   93   93   94   94   95   95   96 
LCS_GDT     E    53_A     E    53_A     10   22   98      3    7   46   57   68   72   76   81   84   87   89   90   91   93   93   94   94   95   95   96 
LCS_GDT     G    54_A     G    54_A     13   22   98     14   44   51   59   68   72   76   81   84   87   89   90   91   93   93   94   94   95   95   96 
LCS_GDT     Q    55_A     Q    55_A     13   22   98     23   44   51   59   68   72   76   81   84   87   89   90   91   93   93   94   94   95   95   96 
LCS_GDT     N    56_A     N    56_A     13   22   98     27   44   51   59   68   72   76   81   84   87   89   90   91   93   93   94   94   95   95   96 
LCS_GDT     P    57_A     P    57_A     13   22   98     27   44   51   59   68   72   76   81   84   87   89   90   91   93   93   94   94   95   95   96 
LCS_GDT     V    58_A     V    58_A     13   22   98     27   44   51   59   68   72   76   81   84   87   89   90   91   93   93   94   94   95   95   96 
LCS_GDT     W    59_A     W    59_A     13   22   98     27   44   51   59   68   72   76   81   84   87   89   90   91   93   93   94   94   95   95   96 
LCS_GDT     S    60_A     S    60_A     13   22   98     27   44   51   59   68   72   76   81   84   87   89   90   91   93   93   94   94   95   95   96 
LCS_GDT     E    61_A     E    61_A     13   22   98     27   44   51   59   68   72   76   81   84   87   89   90   91   93   93   94   94   95   95   96 
LCS_GDT     E    62_A     E    62_A     13   22   98     10   44   51   59   68   72   76   81   84   87   89   90   91   93   93   94   94   95   95   96 
LCS_GDT     F    63_A     F    63_A     13   22   98      6   29   49   58   68   72   76   81   84   87   89   90   91   93   93   94   94   95   95   96 
LCS_GDT     V    64_A     V    64_A     13   22   98      6   24   49   58   68   72   76   81   84   87   89   90   91   93   93   94   94   95   95   96 
LCS_GDT     F    65_A     F    65_A     13   22   98      4   26   49   58   68   72   76   81   84   87   89   90   91   93   93   94   94   95   95   96 
LCS_GDT     D    66_A     D    66_A     13   22   98      4   13   42   53   63   70   76   80   84   87   89   90   91   93   93   94   94   95   95   96 
LCS_GDT     D    67_A     D    67_A      5   22   98      4    5    8   15   53   65   75   79   84   87   89   90   91   93   93   94   94   95   95   96 
LCS_GDT     L    68_A     L    68_A      5   21   98      3    5   37   53   66   71   76   81   84   87   89   90   91   93   93   94   94   95   95   96 
LCS_GDT     P    69_A     P    69_A      5   20   98      3    5   10   13   45   60   70   78   84   87   89   90   91   93   93   94   94   95   95   96 
LCS_GDT     P    70_A     P    70_A      5   20   98      4   18   38   50   61   69   75   80   84   87   89   90   91   93   93   94   94   95   95   96 
LCS_GDT     D    71_A     D    71_A      5   15   98      4    4    7   15   24   29   33   45   76   80   87   88   91   92   93   94   94   95   95   96 
LCS_GDT     I    72_A     I    72_A      5   30   98      4    4    7    8   27   48   67   76   82   87   89   90   91   93   93   94   94   95   95   96 
LCS_GDT     N    73_A     N    73_A     13   31   98     21   42   51   59   68   72   76   81   84   87   89   90   91   93   93   94   94   95   95   96 
LCS_GDT     R    74_A     R    74_A     13   31   98     19   44   51   59   68   72   76   81   84   87   89   90   91   93   93   94   94   95   95   96 
LCS_GDT     F    75_A     F    75_A     13   31   98     27   44   51   59   68   72   76   81   84   87   89   90   91   93   93   94   94   95   95   96 
LCS_GDT     E    76_A     E    76_A     13   31   98      8   44   51   59   68   72   76   81   84   87   89   90   91   93   93   94   94   95   95   96 
LCS_GDT     I    77_A     I    77_A     13   31   98     10   44   51   59   68   72   76   81   84   87   89   90   91   93   93   94   94   95   95   96 
LCS_GDT     T    78_A     T    78_A     13   31   98     27   44   51   59   68   72   76   81   84   87   89   90   91   93   93   94   94   95   95   96 
LCS_GDT     L    79_A     L    79_A     13   31   98     27   44   51   59   68   72   76   81   84   87   89   90   91   93   93   94   94   95   95   96 
LCS_GDT     S    80_A     S    80_A     13   31   98     27   44   51   59   68   72   76   81   84   87   89   90   91   93   93   94   94   95   95   96 
LCS_GDT     N    81_A     N    81_A     13   31   98     27   44   51   59   68   72   76   81   84   87   89   90   91   93   93   94   94   95   95   96 
LCS_GDT     K    82_A     K    82_A     13   31   98     27   44   51   59   68   72   76   81   84   87   89   90   91   93   93   94   94   95   95   96 
LCS_GDT     T    83_A     T    83_A     13   31   98     27   44   51   59   68   72   76   81   84   87   89   90   91   93   93   94   94   95   95   96 
LCS_GDT     K    84_A     K    84_A     13   31   98      3   18   46   57   68   72   76   81   84   87   89   90   91   93   93   94   94   95   95   96 
LCS_GDT     K    85_A     K    85_A     13   31   98      4   10   23   53   61   70   76   81   84   87   89   90   91   93   93   94   94   95   95   96 
LCS_GDT     S    86_A     S    86_A      7   31   98     13   39   51   59   68   72   76   81   84   87   89   90   91   93   93   94   94   95   95   96 
LCS_GDT     K    87_A     K    87_A      8   31   98     10   44   51   59   68   72   76   81   84   87   89   90   91   93   93   94   94   95   95   96 
LCS_GDT     D    88_A     D    88_A      8   31   98     10   44   51   59   68   72   76   81   84   87   89   90   91   93   93   94   94   95   95   96 
LCS_GDT     P    89_A     P    89_A      8   31   98      4   21   48   58   68   72   76   81   84   87   89   90   91   93   93   94   94   95   95   96 
LCS_GDT     D    90_A     D    90_A      8   31   98      4   16   44   57   67   72   76   81   84   87   89   90   91   93   93   94   94   95   95   96 
LCS_GDT     I    91_A     I    91_A      9   31   98      4    8   41   57   68   72   76   81   84   87   89   90   91   93   93   94   94   95   95   96 
LCS_GDT     L    92_A     L    92_A      9   31   98     27   44   51   59   68   72   76   81   84   87   89   90   91   93   93   94   94   95   95   96 
LCS_GDT     F    93_A     F    93_A      9   31   98     12   44   51   59   68   72   76   81   84   87   89   90   91   93   93   94   94   95   95   96 
LCS_GDT     M    94_A     M    94_A      9   31   98     12   44   51   59   68   72   76   81   84   87   89   90   91   93   93   94   94   95   95   96 
LCS_GDT     R    95_A     R    95_A      9   31   98     27   44   51   59   68   72   76   81   84   87   89   90   91   93   93   94   94   95   95   96 
LCS_GDT     C    96_A     C    96_A      9   31   98     27   44   51   59   68   72   76   81   84   87   89   90   91   93   93   94   94   95   95   96 
LCS_GDT     Q    97_A     Q    97_A      9   31   98     10   41   51   59   68   72   76   81   84   87   89   90   91   93   93   94   94   95   95   96 
LCS_GDT     L    98_A     L    98_A      9   31   98      5   36   51   59   68   72   76   81   84   87   89   90   91   93   93   94   94   95   95   96 
LCS_GDT     S    99_A     S    99_A      9   31   98     10   27   50   59   68   72   76   81   84   87   89   90   91   93   93   94   94   95   95   96 
LCS_GDT     R   100_A     R   100_A      5   31   98      4    5   23   51   62   71   76   81   84   87   89   90   91   93   93   94   94   95   95   96 
LCS_GDT     L   101_A     L   101_A      5   31   98      4   14   42   59   68   72   76   81   84   87   89   90   91   93   93   94   94   95   95   96 
LCS_GDT     Q   102_A     Q   102_A      4   31   98      3    4   24   35   50   66   75   81   84   87   89   90   91   93   93   94   94   95   95   96 
LCS_GDT     K   103_A     K   103_A      4   31   98      3    4   18   50   63   69   76   81   84   87   89   90   91   93   93   94   94   95   95   96 
LCS_GDT     G   104_A     G   104_A      4    5   98      3    4   12   21   56   64   75   79   84   87   89   90   91   93   93   94   94   95   95   96 
LCS_GDT     H   105_A     H   105_A      4    5   98      3    4   16   27   39   65   73   80   84   87   89   90   91   93   93   94   94   95   95   96 
LCS_GDT     A   106_A     A   106_A      4    5   98      3    3    4    5    5    8   11   13   18   28   34   41   46   67   87   92   94   95   95   96 
LCS_GDT     T   107_A     T   107_A      4    4   98      3    3    4    4    5    6    8   11   12   17   18   23   31   37   42   47   68   81   94   96 
LCS_GDT     D   108_A     D   108_A      4    4   98      3    3    4    4    5    6    8   11   13   17   18   23   25   27   38   47   65   75   83   91 
LCS_GDT     E   109_A     E   109_A      4    4   98      3    3    4    4    5    6    8   10   11   14   16   18   19   19   23   25   29   31   40   50 
LCS_GDT     W   110_A     W   110_A      3    4   13      3    3    3    3    4    5    7   10   11   14   16   18   19   19   21   24   27   28   31   33 
LCS_GDT     F   111_A     F   111_A      3    5   13      3    3    3    4    5    5    8   10   11   14   16   18   20   23   24   28   32   34   37   40 
LCS_GDT     L   112_A     L   112_A      3    5   14      3    3    4    4    5    6    7   10   11   14   16   18   20   23   24   28   32   34   35   36 
LCS_GDT     L   113_A     L   113_A      3    5   14      3    3    4    4    5    5    7    8   10   12   16   17   20   23   24   28   32   34   35   36 
LCS_GDT     S   114_A     S   114_A      3    5   14      3    3    4    4    4    5    7    7   10   12   16   17   19   23   24   28   32   34   35   36 
LCS_GDT     S   115_A     S   115_A      5    5   14      3    5    5    5    5    6    7    8   10   12   16   16   19   23   24   26   32   34   35   36 
LCS_GDT     H   116_A     H   116_A      5    5   17      3    5    5    5    5    6    7    8   10   13   16   16   20   23   24   28   32   34   35   36 
LCS_GDT     I   117_A     I   117_A      5    5   20      3    5    5    5    7    9   10   11   13   14   17   18   22   23   25   28   32   34   35   36 
LCS_GDT     P   118_A     P   118_A      5    5   20      3    5    5    5    5    9   10   11   13   14   17   18   22   23   25   28   32   34   35   36 
LCS_GDT     L   119_A     L   119_A      5    5   20      3    5    5    5    7    9   10   11   13   14   17   18   22   23   25   28   32   34   35   36 
LCS_GDT     K   120_A     K   120_A      3    6   20      3    3    3    4    5    6    7    9   11   14   17   18   22   23   25   28   32   34   35   36 
LCS_GDT     G   121_A     G   121_A      4    6   20      4    4    5    5    5    6    7    9   10   13   15   18   22   23   25   27   31   34   35   36 
LCS_GDT     I   122_A     I   122_A      4    6   20      4    4    5    5    5    6    7    8   10   13   14   18   22   23   25   27   31   34   35   36 
LCS_GDT     E   123_A     E   123_A      4    6   20      4    4    5    5    5   10   12   12   13   14   17   18   22   23   25   28   32   34   35   37 
LCS_GDT     P   124_A     P   124_A      4   12   20      4    4    5    8   11   11   12   12   13   13   14   16   22   23   25   28   31   34   37   38 
LCS_GDT     G   125_A     G   125_A      4   12   20      3    4    5    5    5    9   12   12   13   14   17   18   22   23   27   31   36   42   50   53 
LCS_GDT     S   126_A     S   126_A      4   12   20      3    4    6    8   11   11   12   12   13   14   17   18   24   26   30   32   35   42   47   52 
LCS_GDT     L   127_A     L   127_A      4   12   20      3    4    5    8   11   11   12   12   13   15   18   21   24   26   30   32   35   41   48   56 
LCS_GDT     R   128_A     R   128_A      5   12   20      4    4    7    8   11   11   12   12   13   14   16   17   22   25   29   32   35   37   48   56 
LCS_GDT     V   129_A     V   129_A      5   12   20      4    6    7    8   11   11   12   12   13   14   16   17   22   23   25   28   32   37   39   56 
LCS_GDT     R   130_A     R   130_A      6   12   20      4    6    7    8   11   11   12   12   13   14   17   18   22   37   42   48   90   92   93   95 
LCS_GDT     A   131_A     A   131_A      6   12   20      4    6    7    8   11   11   12   12   13   17   37   39   46   71   82   89   91   93   95   95 
LCS_GDT     R   132_A     R   132_A      6   12   20      4    6    7    8   11   11   12   20   23   26   36   44   49   51   62   66   79   87   90   92 
LCS_GDT     Y   133_A     Y   133_A      6   12   20      4    4    6    9   11   12   14   20   23   28   33   44   48   50   55   62   73   77   82   88 
LCS_GDT     S   134_A     S   134_A      6   12   20      4    6    7    8   11   11   12   12   16   18   28   29   29   39   44   45   56   60   62   69 
LCS_GDT     M   135_A     M   135_A      6   12   20      4    6    7    8   11   11   12   12   13   14   17   18   22   23   25   28   32   34   41   47 
LCS_GDT     E   136_A     E   136_A      4   11   20      3    3    5    6    8   11   12   12   13   14   17   18   22   23   25   28   32   34   35   36 
LCS_GDT     K   137_A     K   137_A      4    7   16      3    3    5    6    6    8    9   10   11   11   12   14   18   23   24   28   32   34   35   36 
LCS_GDT     I   138_A     I   138_A      4    7   16      3    3    4    6    6    8    9   10   11   11   12   13   15   17   17   22   26   28   30   32 
LCS_GDT     M   139_A     M   139_A      4    7   14      3    3    5    6    6    8    9   10   11   11   12   12   15   15   17   17   21   21   23   24 
LCS_GDT     P   140_A     P   140_A      3    7   14      3    3    5    6    6    8    9   10   11   11   12   12   13   14   16   16   19   20   21   24 
LCS_GDT     E   141_A     E   141_A      3    7   14      3    3    5    6    6    8    9   10   11   11   12   12   13   14   16   16   18   21   22   22 
LCS_GDT     E   142_A     E   142_A      3    7   14      1    3    3    6    6    8    9   10   11   11   12   12   13   14   16   16   18   21   22   22 
LCS_GDT     E   143_A     E   143_A      3    7   14      0    3    4    6    6    8    9   10   11   11   12   12   13   13   16   16   18   21   22   22 
LCS_GDT     Y   144_A     Y   144_A      3    4   14      3    3    3    4    5    8    9   10   11   11   12   12   13   13   16   16   19   21   26   26 
LCS_GDT     S   145_A     S   145_A      3    4   14      3    3    4    4    4    6    6   10   11   11   12   12   13   13   13   14   14   14   15   16 
LCS_GDT     E   146_A     E   146_A      3    4   14      3    3    4    4    5    8    9   10   11   11   12   12   13   13   13   14   14   14   15   16 
LCS_GDT     F   147_A     F   147_A      3    3   14      3    3    4    4    4    5    6    6    6    8    9   12   13   13   13   23   25   28   35   37 
LCS_GDT     K   148_A     K   148_A      3    3   14      3    3    3    3    3    5    6    6    6    8    9   11   11   12   19   23   30   31   35   37 
LCS_AVERAGE  LCS_A:   7.54  (   1.84    4.00   16.78 )

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     27     44     51     59     68     72     76     81     84     87     89     90     91     93     93     94     94     95     95     96 
GDT PERCENT_AT   6.04   9.84  11.41  13.20  15.21  16.11  17.00  18.12  18.79  19.46  19.91  20.13  20.36  20.81  20.81  21.03  21.03  21.25  21.25  21.48
GDT RMS_LOCAL    0.36   0.57   0.74   1.04   1.32   1.46   1.63   1.91   2.07   2.24   2.38   2.45   2.54   2.74   2.74   2.86   2.86   3.10   3.10   3.43
GDT RMS_ALL_AT  19.44  19.47  19.46  19.49  19.49  19.49  19.48  19.52  19.49  19.49  19.45  19.46  19.48  19.48  19.48  19.46  19.46  19.45  19.45  19.44

# Checking swapping
#   possible swapping detected:  E    22_A      E    22_A
#   possible swapping detected:  F    32_A      F    32_A
#   possible swapping detected:  Y    40_A      Y    40_A
#   possible swapping detected:  E    53_A      E    53_A
#   possible swapping detected:  E    61_A      E    61_A
#   possible swapping detected:  F    63_A      F    63_A
#   possible swapping detected:  F    75_A      F    75_A
#   possible swapping detected:  F   111_A      F   111_A
#   possible swapping detected:  E   143_A      E   143_A
#   possible swapping detected:  Y   144_A      Y   144_A
#   possible swapping detected:  E   146_A      E   146_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    R    12_A      R    12_A     7.864     0    0.563   1.168    16.292    4.881    1.948
LGA    Q    13_A      Q    13_A     6.118     0    0.175   0.631    14.089   39.286   18.307
LGA    V    14_A      V    14_A     2.426     0    0.577   0.648     7.026   72.262   49.524
LGA    S    15_A      S    15_A     2.671     0    0.215   0.618     4.586   75.476   62.778
LGA    S    16_A      S    16_A     1.885     0    0.067   0.601     4.747   65.119   58.175
LGA    L    17_A      L    17_A     0.824     0    0.026   0.156     2.156   90.476   82.857
LGA    V    18_A      V    18_A     0.994     0    0.084   0.100     1.645   88.214   82.857
LGA    L    19_A      L    19_A     0.607     0    0.138   0.213     1.512   86.071   88.274
LGA    H    20_A      H    20_A     0.129     0    0.025   1.196     5.429  100.000   72.238
LGA    I    21_A      I    21_A     0.321     0    0.030   0.225     1.206  100.000   95.298
LGA    E    22_A      E    22_A     0.339     0    0.069   1.004     4.149  100.000   77.249
LGA    E    23_A      E    23_A     0.295     0    0.042   0.248     1.393   97.619   94.762
LGA    A    24_A      A    24_A     0.377     0    0.031   0.055     0.503   97.619   98.095
LGA    H    25_A      H    25_A     0.346     0    0.018   0.070     0.565  100.000   98.095
LGA    K    26_A      K    26_A     0.513     0    0.027   0.862     4.301   92.857   81.693
LGA    L    27_A      L    27_A     0.575     0    0.047   0.076     0.741   90.476   90.476
LGA    P    28_A      P    28_A     1.246     0    0.057   0.297     1.640   79.405   82.857
LGA    V    29_A      V    29_A     2.305     0    0.667   1.031     5.232   70.952   61.837
LGA    K    30_A      K    30_A     2.664     0    0.547   0.819     5.637   44.405   34.974
LGA    H    31_A      H    31_A     7.816     0    0.348   1.189    12.812   10.357    4.143
LGA    F    32_A      F    32_A     5.033     0    0.206   1.239    14.643   44.286   17.446
LGA    T    33_A      T    33_A     1.447     0    0.666   1.421     5.662   79.286   58.163
LGA    N    34_A      N    34_A     0.653     0    0.030   1.056     2.531   95.238   87.679
LGA    P    35_A      P    35_A     0.495     0    0.020   0.097     0.768   92.857   93.197
LGA    Y    36_A      Y    36_A     0.559     0    0.038   0.139     1.563   95.238   89.087
LGA    C    37_A      C    37_A     0.738     0    0.044   0.745     2.844   88.214   83.413
LGA    N    38_A      N    38_A     0.835     0    0.030   0.112     0.983   90.476   90.476
LGA    I    39_A      I    39_A     1.439     0    0.045   0.433     3.678   83.690   72.560
LGA    Y    40_A      Y    40_A     0.824     0    0.046   0.099     1.577   81.548   85.992
LGA    L    41_A      L    41_A     0.769     0    0.046   1.394     5.468   83.810   68.631
LGA    N    42_A      N    42_A     3.487     0    0.052   0.431     4.646   49.286   45.655
LGA    S    43_A      S    43_A     5.867     0    0.116   0.571    10.058   23.810   17.063
LGA    V    44_A      V    44_A     4.267     0    0.085   0.127     6.415   53.214   40.408
LGA    Q    45_A      Q    45_A     1.765     0    0.028   0.658     4.086   61.190   58.836
LGA    V    46_A      V    46_A     3.240     0    0.671   0.870     6.837   46.071   42.585
LGA    A    47_A      A    47_A     3.596     0    0.147   0.212     5.558   48.452   43.048
LGA    K    48_A      K    48_A     2.980     0    0.083   0.675    11.039   57.262   31.058
LGA    T    49_A      T    49_A     4.161     0    0.643   0.632     8.107   43.571   28.503
LGA    H    50_A      H    50_A     1.505     0    0.588   1.109     7.457   75.119   49.429
LGA    A    51_A      A    51_A     0.177     0    0.089   0.111     0.895   95.238   94.286
LGA    R    52_A      R    52_A     2.645     0    0.324   1.270    12.645   68.929   28.182
LGA    E    53_A      E    53_A     2.539     0    0.318   0.649     7.594   57.500   36.772
LGA    G    54_A      G    54_A     1.113     0    0.219   0.219     1.234   85.952   85.952
LGA    Q    55_A      Q    55_A     0.766     0    0.066   1.106     4.382   95.238   78.889
LGA    N    56_A      N    56_A     0.399     0    0.028   0.207     0.593  100.000   98.810
LGA    P    57_A      P    57_A     0.517     0    0.135   0.177     0.847   95.238   94.558
LGA    V    58_A      V    58_A     0.324     0    0.110   0.142     0.647   97.619   98.639
LGA    W    59_A      W    59_A     0.403     0    0.068   0.196     0.768   97.619   95.918
LGA    S    60_A      S    60_A     0.420     0    0.050   0.685     2.564   97.619   91.270
LGA    E    61_A      E    61_A     0.479     0    0.047   0.630     1.651   95.238   88.677
LGA    E    62_A      E    62_A     1.088     0    0.117   0.588     2.067   83.690   79.630
LGA    F    63_A      F    63_A     2.038     0    0.029   0.777     3.389   68.810   62.165
LGA    V    64_A      V    64_A     2.287     0    0.030   0.086     2.776   62.857   63.673
LGA    F    65_A      F    65_A     2.480     0    0.187   0.364     3.486   66.786   61.429
LGA    D    66_A      D    66_A     3.970     0    0.128   0.705     7.249   37.500   27.500
LGA    D    67_A      D    67_A     5.144     0    0.364   0.914    10.655   37.500   20.238
LGA    L    68_A      L    68_A     3.423     0    0.016   0.047     7.298   43.452   33.571
LGA    P    69_A      P    69_A     5.864     0    0.086   0.239     8.359   29.048   20.748
LGA    P    70_A      P    70_A     4.803     0    0.706   0.685     6.698   34.762   27.279
LGA    D    71_A      D    71_A     8.130     0    0.307   1.223    13.521    5.833    2.917
LGA    I    72_A      I    72_A     6.509     0    0.455   1.324    10.435   26.190   14.048
LGA    N    73_A      N    73_A     0.607     0    0.671   1.337     5.901   82.262   57.976
LGA    R    74_A      R    74_A     1.231     0    0.159   0.698     4.841   81.548   66.061
LGA    F    75_A      F    75_A     1.085     0    0.070   1.307     5.892   81.429   60.996
LGA    E    76_A      E    76_A     1.374     0    0.025   0.280     2.175   81.429   78.624
LGA    I    77_A      I    77_A     1.420     0    0.031   0.177     2.160   81.429   76.131
LGA    T    78_A      T    78_A     0.883     0    0.126   1.170     2.835   85.952   80.612
LGA    L    79_A      L    79_A     0.498     0    0.147   0.899     2.413   95.238   88.631
LGA    S    80_A      S    80_A     0.567     0    0.080   0.172     1.081   95.238   92.143
LGA    N    81_A      N    81_A     0.617     0    0.078   0.633     1.560   90.476   88.333
LGA    K    82_A      K    82_A     0.832     0    0.020   0.306     3.035   90.476   79.259
LGA    T    83_A      T    83_A     0.817     0    0.147   0.932     2.182   92.857   84.354
LGA    K    84_A      K    84_A     2.341     0    0.149   0.797     5.542   58.333   54.762
LGA    K    85_A      K    85_A     4.224     0    0.270   0.865    13.498   46.786   24.127
LGA    S    86_A      S    86_A     1.354     0    0.080   0.635     2.328   84.167   77.698
LGA    K    87_A      K    87_A     1.375     0    0.079   0.823     5.998   83.690   59.206
LGA    D    88_A      D    88_A     1.272     0    0.037   0.113     2.400   75.119   79.405
LGA    P    89_A      P    89_A     2.454     0    0.015   0.144     2.664   68.810   67.143
LGA    D    90_A      D    90_A     2.908     0    0.116   0.355     5.314   50.357   42.381
LGA    I    91_A      I    91_A     2.722     0    0.309   1.028     6.672   54.048   44.405
LGA    L    92_A      L    92_A     0.809     0    0.052   1.343     4.615   88.214   70.714
LGA    F    93_A      F    93_A     1.111     0    0.016   0.202     2.323   85.952   77.706
LGA    M    94_A      M    94_A     1.083     0    0.056   1.003     4.780   85.952   73.512
LGA    R    95_A      R    95_A     0.215     0    0.035   0.551     2.347   97.619   83.593
LGA    C    96_A      C    96_A     0.560     0    0.199   0.704     2.051   92.857   87.778
LGA    Q    97_A      Q    97_A     1.404     0    0.044   0.185     2.229   81.429   75.767
LGA    L    98_A      L    98_A     1.764     0    0.043   1.416     5.388   72.857   60.357
LGA    S    99_A      S    99_A     1.946     0    0.070   0.550     3.137   63.214   63.810
LGA    R   100_A      R   100_A     3.290     0    0.171   1.286     5.865   48.571   42.857
LGA    L   101_A      L   101_A     2.235     0    0.584   0.540     3.128   61.071   60.179
LGA    Q   102_A      Q   102_A     4.325     0    0.606   0.966    10.699   40.476   20.476
LGA    K   103_A      K   103_A     4.069     0    0.611   0.771     8.608   40.714   29.206
LGA    G   104_A      G   104_A     5.912     0    0.023   0.023     5.912   25.119   25.119
LGA    H   105_A      H   105_A     5.006     0    0.584   0.531     8.154   20.357   23.381
LGA    A   106_A      A   106_A    12.219     0    0.615   0.557    14.934    0.119    0.095
LGA    T   107_A      T   107_A    15.044     0    0.474   0.435    16.014    0.000    0.000
LGA    D   108_A      D   108_A    17.472     0    0.581   0.794    19.472    0.000    0.000
LGA    E   109_A      E   109_A    23.765     0    0.611   1.498    26.902    0.000    0.000
LGA    W   110_A      W   110_A    27.389     0    0.625   1.277    35.267    0.000    0.000
LGA    F   111_A      F   111_A    26.334     0    0.632   0.802    29.459    0.000    0.000
LGA    L   112_A      L   112_A    32.086     0    0.659   0.897    34.817    0.000    0.000
LGA    L   113_A      L   113_A    37.593     0    0.373   1.488    41.372    0.000    0.000
LGA    S   114_A      S   114_A    42.729     0    0.590   0.791    45.668    0.000    0.000
LGA    S   115_A      S   115_A    48.769     0    0.633   0.669    50.871    0.000    0.000
LGA    H   116_A      H   116_A    49.929     0    0.086   1.149    51.645    0.000    0.000
LGA    I   117_A      I   117_A    51.933     0    0.335   1.173    52.910    0.000    0.000
LGA    P   118_A      P   118_A    56.593     0    0.404   0.606    58.950    0.000    0.000
LGA    L   119_A      L   119_A    54.682     0    0.140   0.233    55.314    0.000    0.000
LGA    K   120_A      K   120_A    53.526     0    0.332   0.366    59.913    0.000    0.000
LGA    G   121_A      G   121_A    48.393     0    0.728   0.728    49.930    0.000    0.000
LGA    I   122_A      I   122_A    43.046     0    0.019   0.070    45.041    0.000    0.000
LGA    E   123_A      E   123_A    38.217     0    0.024   0.891    40.114    0.000    0.000
LGA    P   124_A      P   124_A    33.494     0    0.614   0.533    36.085    0.000    0.000
LGA    G   125_A      G   125_A    27.022     0    0.672   0.672    29.146    0.000    0.000
LGA    S   126_A      S   126_A    24.779     0    0.196   0.594    26.277    0.000    0.000
LGA    L   127_A      L   127_A    21.223     0    0.045   0.426    22.119    0.000    0.000
LGA    R   128_A      R   128_A    19.486     0    0.643   1.591    22.629    0.000    0.000
LGA    V   129_A      V   129_A    16.666     0    0.132   1.054    18.082    0.000    0.000
LGA    R   130_A      R   130_A    14.020     0    0.042   0.863    22.621    0.000    0.000
LGA    A   131_A      A   131_A    13.003     0    0.049   0.071    13.697    0.000    0.000
LGA    R   132_A      R   132_A    17.354     0    0.136   1.265    28.959    0.000    0.000
LGA    Y   133_A      Y   133_A    19.175     0    0.128   1.439    26.804    0.000    0.000
LGA    S   134_A      S   134_A    24.083     0    0.087   0.690    25.468    0.000    0.000
LGA    M   135_A      M   135_A    28.579     0    0.624   1.230    31.964    0.000    0.000
LGA    E   136_A      E   136_A    29.613     0    0.644   0.841    30.721    0.000    0.000
LGA    K   137_A      K   137_A    29.533     0    0.225   0.401    33.529    0.000    0.000
LGA    I   138_A      I   138_A    33.860     0    0.517   1.052    35.628    0.000    0.000
LGA    M   139_A      M   139_A    36.633     0    0.168   1.244    39.522    0.000    0.000
LGA    P   140_A      P   140_A    42.952     0    0.665   0.549    44.487    0.000    0.000
LGA    E   141_A      E   141_A    43.121     0    0.655   0.667    44.197    0.000    0.000
LGA    E   142_A      E   142_A    43.323     0    0.637   1.003    48.314    0.000    0.000
LGA    E   143_A      E   143_A    37.658     0    0.628   1.171    39.246    0.000    0.000
LGA    Y   144_A      Y   144_A    34.156     0    0.505   0.891    35.499    0.000    0.000
LGA    S   145_A      S   145_A    33.969     0    0.582   0.613    34.318    0.000    0.000
LGA    E   146_A      E   146_A    33.211     0    0.636   1.003    39.302    0.000    0.000
LGA    F   147_A      F   147_A    26.530     0    0.604   1.312    28.933    0.000    0.000
LGA    K   148_A      K   148_A    28.052     0    0.633   0.962    34.942    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      137     548    548  100.00    1129   1129  100.00               447
SUMMARY(RMSD_GDC):    18.745         18.752                 19.062           14.910   13.068

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  137  447    4.0     81    1.91    15.548    13.274     4.029

LGA_LOCAL      RMSD:   1.910  Number of atoms:   81  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  19.516  Number of assigned atoms:  137 
Std_ASGN_ATOMS RMSD:  18.745  Standard rmsd on all 137 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.869389 * X  +   0.371215 * Y  +   0.326133 * Z  +  30.204294
  Y_new =  -0.320156 * X  +  -0.925916 * Y  +   0.200452 * Z  + -12.381685
  Z_new =   0.376382 * X  +   0.069857 * Y  +   0.923827 * Z  + 107.653473 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.788750 -0.385888  0.075474   [DEG: -159.7836  -22.1097    4.3243 ]
ZXZ:  2.121906  0.392836  1.387282   [DEG:  121.5762   22.5078   79.4854 ]
 
# END of job
