
#######################################################
#                                                     #
#                        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  141 ( 1112),  selected  141 , name one
# Molecule2: number of CA atoms  141 ( 1112),  selected  141 , 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:    93       1_A - 93_A        4.83    31.03
  LONGEST_CONTINUOUS_SEGMENT:    93       2_A - 94_A        4.83    30.79
  LONGEST_CONTINUOUS_SEGMENT:    93       3_A - 95_A        4.88    30.56
  LCS_AVERAGE:     50.71

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    66      11_A - 76_A        2.00    30.57
  LONGEST_CONTINUOUS_SEGMENT:    66      12_A - 77_A        1.95    30.51
  LONGEST_CONTINUOUS_SEGMENT:    66      13_A - 78_A        1.96    30.66
  LCS_AVERAGE:     29.03

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    35      10_A - 44_A        0.99    30.50
  LONGEST_CONTINUOUS_SEGMENT:    35      11_A - 45_A        0.95    30.43
  LCS_AVERAGE:     12.61

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  141
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     A     1_A     A     1_A      3    5   93      0    3    3    3    4    6    6   11   14   17   22   26   33   35   47   61   70   77   85   86 
LCS_GDT     S     2_A     S     2_A      4    5   93      3    4    4    4    4    6    7   11   14   19   26   37   51   61   65   76   79   82   85   87 
LCS_GDT     R     3_A     R     3_A      4   36   93      3    4    4    4   12   28   39   47   50   55   59   65   68   81   82   83   87   89   90   90 
LCS_GDT     I     4_A     I     4_A     17   42   93      3   13   18   25   32   42   48   51   59   63   67   71   79   81   83   85   87   89   90   90 
LCS_GDT     D     5_A     D     5_A     17   42   93      5   11   15   22   36   42   48   51   59   64   67   76   79   81   83   85   87   89   90   90 
LCS_GDT     E     6_A     E     6_A     17   42   93      5   13   19   29   39   42   48   51   59   64   72   77   79   81   83   85   87   89   90   90 
LCS_GDT     K     7_A     K     7_A     18   44   93      5   13   20   32   39   44   48   56   64   68   72   77   79   81   83   85   87   89   90   90 
LCS_GDT     S     8_A     S     8_A     18   45   93      6   14   27   37   42   51   59   64   67   72   73   77   79   81   83   85   87   89   90   90 
LCS_GDT     S     9_A     S     9_A     18   46   93      5   13   22   36   41   53   61   64   69   72   73   77   79   81   83   85   87   89   90   90 
LCS_GDT     K    10_A     K    10_A     35   46   93      8   21   32   37   46   55   61   64   69   72   73   77   79   81   83   85   87   89   90   90 
LCS_GDT     A    11_A     A    11_A     35   66   93      8   26   33   42   52   58   63   66   69   72   73   77   79   81   83   85   87   89   90   90 
LCS_GDT     K    12_A     K    12_A     35   66   93      8   26   37   47   56   59   63   66   69   72   73   77   79   81   83   85   87   89   90   90 
LCS_GDT     V    13_A     V    13_A     35   66   93     10   28   37   51   57   61   64   66   69   72   73   77   79   81   83   85   87   89   90   90 
LCS_GDT     N    14_A     N    14_A     35   66   93     13   28   37   51   57   61   64   66   69   72   73   77   79   81   83   85   87   89   90   90 
LCS_GDT     D    15_A     D    15_A     35   66   93     13   29   37   53   57   61   64   66   69   72   73   77   79   81   83   85   87   89   90   90 
LCS_GDT     F    16_A     F    16_A     35   66   93      8   29   39   53   57   61   64   66   69   72   73   77   79   81   83   85   87   89   90   90 
LCS_GDT     L    17_A     L    17_A     35   66   93     22   30   40   53   57   61   64   66   69   72   73   77   79   81   83   85   87   89   90   90 
LCS_GDT     A    18_A     A    18_A     35   66   93     22   30   40   53   57   61   64   66   69   72   73   77   79   81   83   85   87   89   90   90 
LCS_GDT     E    19_A     E    19_A     35   66   93     22   30   40   53   57   61   64   66   69   72   73   77   79   81   83   85   87   89   90   90 
LCS_GDT     I    20_A     I    20_A     35   66   93     22   30   40   53   57   61   64   66   69   72   73   77   79   81   83   85   87   89   90   90 
LCS_GDT     F    21_A     F    21_A     35   66   93     22   30   40   53   57   61   64   66   69   72   73   77   79   81   83   85   87   89   90   90 
LCS_GDT     K    22_A     K    22_A     35   66   93     22   30   40   53   57   61   64   66   69   72   73   77   79   81   83   85   87   89   90   90 
LCS_GDT     K    23_A     K    23_A     35   66   93     22   30   40   53   57   61   64   66   69   72   73   77   79   81   83   85   87   89   90   90 
LCS_GDT     I    24_A     I    24_A     35   66   93     22   30   40   53   57   61   64   66   69   72   73   77   79   81   83   85   87   89   90   90 
LCS_GDT     G    25_A     G    25_A     35   66   93     22   30   40   53   57   61   64   66   69   72   73   77   79   81   83   85   87   89   90   90 
LCS_GDT     S    26_A     S    26_A     35   66   93     22   30   40   53   57   61   64   66   69   72   73   77   79   81   83   85   87   89   90   90 
LCS_GDT     K    27_A     K    27_A     35   66   93     22   30   40   53   57   61   64   66   69   72   73   77   79   81   83   85   87   89   90   90 
LCS_GDT     E    28_A     E    28_A     35   66   93     22   30   40   53   57   61   64   66   69   72   73   77   79   81   83   85   87   89   90   90 
LCS_GDT     N    29_A     N    29_A     35   66   93     22   30   40   53   57   61   64   66   69   72   73   77   79   81   83   85   87   89   90   90 
LCS_GDT     T    30_A     T    30_A     35   66   93     22   30   40   53   57   61   64   66   69   72   73   77   79   81   83   85   87   89   90   90 
LCS_GDT     K    31_A     K    31_A     35   66   93     16   30   40   53   57   61   64   66   69   72   73   77   79   81   83   85   87   89   90   90 
LCS_GDT     E    32_A     E    32_A     35   66   93     16   30   40   53   57   61   64   66   69   72   73   77   79   81   83   85   87   89   90   90 
LCS_GDT     G    33_A     G    33_A     35   66   93     22   30   40   53   57   61   64   66   69   72   73   77   79   81   83   85   87   89   90   90 
LCS_GDT     L    34_A     L    34_A     35   66   93     22   30   40   53   57   61   64   66   69   72   73   77   79   81   83   85   87   89   90   90 
LCS_GDT     A    35_A     A    35_A     35   66   93     22   30   40   53   57   61   64   66   69   72   73   77   79   81   83   85   87   89   90   90 
LCS_GDT     E    36_A     E    36_A     35   66   93     22   30   40   53   57   61   64   66   69   72   73   77   79   81   83   85   87   89   90   90 
LCS_GDT     L    37_A     L    37_A     35   66   93     22   30   40   53   57   61   64   66   69   72   73   77   79   81   83   85   87   89   90   90 
LCS_GDT     Y    38_A     Y    38_A     35   66   93     22   30   40   53   57   61   64   66   69   72   73   77   79   81   83   85   87   89   90   90 
LCS_GDT     E    39_A     E    39_A     35   66   93     21   30   40   53   57   61   64   66   69   72   73   77   79   81   83   85   87   89   90   90 
LCS_GDT     Y    40_A     Y    40_A     35   66   93     21   30   40   53   57   61   64   66   69   72   73   77   79   81   83   85   87   89   90   90 
LCS_GDT     K    41_A     K    41_A     35   66   93     18   30   40   53   57   61   64   66   69   72   73   77   79   81   83   85   87   89   90   90 
LCS_GDT     K    42_A     K    42_A     35   66   93     18   30   40   53   57   61   64   66   69   72   73   77   79   81   83   85   87   89   90   90 
LCS_GDT     K    43_A     K    43_A     35   66   93     18   30   40   53   57   61   64   66   69   72   73   77   79   81   83   85   87   89   90   90 
LCS_GDT     Y    44_A     Y    44_A     35   66   93     13   28   37   53   57   61   64   66   69   72   73   77   79   81   83   85   87   89   90   90 
LCS_GDT     S    45_A     S    45_A     35   66   93      6   22   36   49   57   61   64   66   69   72   73   77   79   81   83   85   87   89   90   90 
LCS_GDT     D    46_A     D    46_A      4   66   93      3    4    4    6   13   27   42   51   63   68   71   76   79   81   83   85   87   89   90   90 
LCS_GDT     A    47_A     A    47_A      4   66   93      3    4    4   23   42   52   62   66   69   72   73   77   79   81   83   85   87   89   90   90 
LCS_GDT     D    48_A     D    48_A     21   66   93      8   24   40   53   57   61   64   66   69   72   73   77   79   81   83   85   87   89   90   90 
LCS_GDT     I    49_A     I    49_A     21   66   93     11   24   40   53   57   61   64   66   69   72   73   77   79   81   83   85   87   89   90   90 
LCS_GDT     E    50_A     E    50_A     21   66   93     11   24   40   53   57   61   64   66   69   72   73   77   79   81   83   85   87   89   90   90 
LCS_GDT     P    51_A     P    51_A     21   66   93     11   22   38   53   57   61   64   66   69   72   73   77   79   81   83   85   87   89   90   90 
LCS_GDT     F    52_A     F    52_A     21   66   93     11   22   38   53   57   61   64   66   69   72   73   77   79   81   83   85   87   89   90   90 
LCS_GDT     L    53_A     L    53_A     21   66   93     11   24   39   53   57   61   64   66   69   72   73   77   79   81   83   85   87   89   90   90 
LCS_GDT     K    54_A     K    54_A     21   66   93      9   24   40   53   57   61   64   66   69   72   73   77   79   81   83   85   87   89   90   90 
LCS_GDT     N    55_A     N    55_A     21   66   93      6   22   37   52   57   61   64   66   69   72   73   77   79   81   83   85   87   89   90   90 
LCS_GDT     S    56_A     S    56_A     21   66   93      7   18   37   49   57   61   64   66   69   72   73   77   79   81   83   85   87   89   90   90 
LCS_GDT     S    57_A     S    57_A     21   66   93      5   18   35   48   57   61   64   66   69   72   73   77   79   81   83   85   87   89   90   90 
LCS_GDT     Q    58_A     Q    58_A     21   66   93      4    8   30   45   57   61   64   66   68   72   73   77   79   81   83   85   87   89   90   90 
LCS_GDT     F    59_A     F    59_A     21   66   93      4   12   35   45   56   61   64   66   69   72   73   77   79   81   83   85   87   89   90   90 
LCS_GDT     F    60_A     F    60_A     21   66   93      4   19   39   53   57   61   64   66   69   72   73   77   79   81   83   85   87   89   90   90 
LCS_GDT     Q    61_A     Q    61_A     21   66   93     11   24   40   53   57   61   64   66   69   72   73   77   79   81   83   85   87   89   90   90 
LCS_GDT     S    62_A     S    62_A     21   66   93      8   22   39   53   57   61   64   66   69   72   73   77   79   81   83   85   87   89   90   90 
LCS_GDT     Y    63_A     Y    63_A     21   66   93      8   24   39   53   57   61   64   66   69   72   73   77   79   81   83   85   87   89   90   90 
LCS_GDT     V    64_A     V    64_A     21   66   93     11   27   40   53   57   61   64   66   69   72   73   77   79   81   83   85   87   89   90   90 
LCS_GDT     E    65_A     E    65_A     21   66   93      8   24   40   53   57   61   64   66   69   72   73   77   79   81   83   85   87   89   90   90 
LCS_GDT     R    66_A     R    66_A     21   66   93      8   24   40   53   57   61   64   66   69   72   73   77   79   81   83   85   87   89   90   90 
LCS_GDT     G    67_A     G    67_A     21   66   93      9   24   40   53   57   61   64   66   69   72   73   77   79   81   83   85   87   89   90   90 
LCS_GDT     L    68_A     L    68_A     21   66   93     22   30   40   53   57   61   64   66   69   72   73   77   79   81   83   85   87   89   90   90 
LCS_GDT     R    69_A     R    69_A     18   66   93     21   30   40   53   57   61   64   66   69   72   73   77   79   81   83   85   87   89   90   90 
LCS_GDT     V    70_A     V    70_A     18   66   93     22   30   40   53   57   61   64   66   69   72   73   77   79   81   83   85   87   89   90   90 
LCS_GDT     I    71_A     I    71_A     18   66   93     12   23   40   53   57   61   64   66   69   72   73   77   79   81   83   85   87   89   90   90 
LCS_GDT     E    72_A     E    72_A     18   66   93      6   28   38   53   57   61   64   66   69   72   73   77   79   81   83   85   87   89   90   90 
LCS_GDT     M    73_A     M    73_A     18   66   93      8   29   39   53   57   61   64   66   69   72   73   77   79   81   83   85   87   89   90   90 
LCS_GDT     E    74_A     E    74_A     18   66   93      9   23   38   53   57   61   64   66   69   72   73   77   79   81   83   85   87   89   90   90 
LCS_GDT     R    75_A     R    75_A     18   66   93      6   23   38   53   57   61   64   66   69   72   73   77   79   81   83   85   87   89   90   90 
LCS_GDT     E    76_A     E    76_A     18   66   93      4   16   34   45   57   61   64   66   69   72   73   77   79   81   83   85   87   89   90   90 
LCS_GDT     G    77_A     G    77_A     18   66   93      4   14   29   43   51   60   64   66   69   72   73   77   79   81   83   85   87   89   90   90 
LCS_GDT     K    78_A     K    78_A      4   66   93      3   15   29   41   53   60   64   66   68   69   73   75   79   81   83   85   87   89   90   90 
LCS_GDT     G    79_A     G    79_A      4   65   93      3   11   19   33   46   54   62   64   68   69   71   73   77   80   83   85   87   89   90   90 
LCS_GDT     R    80_A     R    80_A      4   49   93      0    3    4    6   11   19   59   64   68   69   71   73   77   80   83   85   87   89   90   90 
LCS_GDT     I    81_A     I    81_A      3   34   93      3    3    4    5   57   61   64   66   69   72   73   77   79   81   83   85   87   89   90   90 
LCS_GDT     S    82_A     S    82_A      3    6   93      3    3    4    5   13   37   55   62   66   69   71   75   79   81   83   85   87   89   90   90 
LCS_GDT     T    83_A     T    83_A      3    6   93      3    3    4    5    7   11   21   37   53   63   66   70   74   77   83   85   87   89   90   90 
LCS_GDT     S    84_A     S    84_A      3    6   93      1    3    4    5    7    9   11   14   18   34   55   64   72   75   83   85   87   89   90   90 
LCS_GDT     T    85_A     T    85_A      7    8   93      2    4    7    7   27   33   38   43   50   52   56   61   66   74   76   83   85   88   90   90 
LCS_GDT     G    86_A     G    86_A      7    8   93      2    7   18   24   32   41   45   47   51   57   63   68   74   79   83   85   87   89   90   90 
LCS_GDT     I    87_A     I    87_A      7    8   93      2    5    7    7   32   38   45   47   51   59   69   74   77   79   83   85   87   89   90   90 
LCS_GDT     S    88_A     S    88_A      7    8   93      2    5    7    7    8   11   49   57   61   66   72   75   79   81   83   85   87   89   90   90 
LCS_GDT     P    89_A     P    89_A      7    8   93      2    5    7    7    8   10   17   22   40   66   73   77   79   81   83   85   87   89   90   90 
LCS_GDT     Q    90_A     Q    90_A      7    8   93      0    5    7    7    8   10   17   34   64   70   73   77   79   81   83   85   87   89   90   90 
LCS_GDT     M    91_A     M    91_A      7    8   93      2    5    7    7   13   17   21   27   48   72   73   77   79   81   83   85   87   89   90   90 
LCS_GDT     E    92_A     E    92_A      4    8   93      2    4    5    8   13   17   21   49   69   72   73   77   79   81   83   85   87   89   90   90 
LCS_GDT     V    93_A     V    93_A      4    6   93      2    4    4    5    5    6   21   28   66   71   73   77   79   81   83   85   86   88   90   90 
LCS_GDT     T    94_A     T    94_A      4    8   93      2    4    4    5    5    6    8   25   37   46   70   72   78   81   82   84   86   87   87   87 
LCS_GDT     C    95_A     C    95_A      7    8   93      3    4    7    7    8    8   14   21   37   47   58   72   76   81   82   83   84   87   87   87 
LCS_GDT     V    96_A     V    96_A      7    8   15      3    4    7    7    8    8    8   11   12   20   25   32   58   66   73   78   82   82   85   86 
LCS_GDT     P    97_A     P    97_A      7    8   15      3    5    7    7    8    8    8    9    9   20   24   29   33   38   59   66   69   79   82   84 
LCS_GDT     T    98_A     T    98_A      7    8   15      3    5    7    7    8    8    8    9    9   10   13   16   23   26   48   56   65   70   72   74 
LCS_GDT     P    99_A     P    99_A      7    8   15      3    5    7    7    8    8    8    9    9   10   13   16   23   26   29   45   58   61   67   71 
LCS_GDT     T   100_A     T   100_A      7    8   15      3    5    7    7    8    8    8    9    9   10   13   16   22   25   26   30   32   38   41   59 
LCS_GDT     S   101_A     S   101_A      7    8   15      3    5    7    7    8    8    8    9    9   10   12   15   19   22   25   30   32   34   41   43 
LCS_GDT     T   102_A     T   102_A      3    9   16      0    3    4    6    8    9    9   10   11   13   13   14   19   20   21   23   25   27   41   43 
LCS_GDT     V   103_A     V   103_A      4    9   17      4    4    4    6    8    9   10   11   13   14   14   14   18   20   23   24   25   26   34   43 
LCS_GDT     S   104_A     S   104_A      4    9   17      4    4    4    5    8    9   10   11   13   14   14   15   19   25   26   30   32   34   41   43 
LCS_GDT     S   105_A     S   105_A      4    9   17      4    4    7    9    9   11   11   11   13   14   14   15   22   25   26   30   32   34   41   43 
LCS_GDT     I   106_A     I   106_A      4    9   17      4    4    7    9    9   11   11   11   13   14   14   17   22   25   27   42   45   47   49   51 
LCS_GDT     G   107_A     G   107_A      6    9   27      4    5    6    7    9   11   11   11   13   15   26   38   40   42   44   44   46   48   49   51 
LCS_GDT     N   108_A     N   108_A      6    9   28      4    5    7    9    9   11   14   16   21   28   31   39   41   42   44   44   46   48   49   51 
LCS_GDT     T   109_A     T   109_A      6    9   28      4    5    7    9   11   14   15   18   21   27   31   39   41   42   44   44   46   48   49   59 
LCS_GDT     N   110_A     N   110_A      6    9   28      4    5    7    9    9   11   14   18   21   22   22   22   23   23   25   30   43   45   48   53 
LCS_GDT     G   111_A     G   111_A      6    8   31      3    5    7    9    9   11   11   12   15   20   21   21   23   28   33   37   48   53   61   64 
LCS_GDT     E   112_A     E   112_A      6    8   31      3    4    7    9    9   11   11   15   21   22   22   35   39   42   43   45   48   53   61   66 
LCS_GDT     E   113_A     E   113_A      4    6   31      3    4    5    7   10   13   15   18   25   29   34   39   41   42   44   45   48   53   61   69 
LCS_GDT     V   114_A     V   114_A      4   18   31      3    4    7    9   10   14   21   25   27   30   34   39   41   42   44   44   46   48   49   51 
LCS_GDT     G   115_A     G   115_A     17   22   31      7   14   17   18   19   20   22   25   27   30   34   39   41   42   44   44   46   48   49   51 
LCS_GDT     P   116_A     P   116_A     17   22   31      8   14   17   18   19   20   22   25   27   30   34   39   41   42   44   44   46   48   49   51 
LCS_GDT     S   117_A     S   117_A     17   22   31      8   14   17   18   19   20   22   25   27   30   34   39   41   42   44   44   46   48   49   51 
LCS_GDT     V   118_A     V   118_A     17   22   31      8   14   17   18   19   20   22   25   27   30   34   38   41   42   44   44   45   48   49   51 
LCS_GDT     Y   119_A     Y   119_A     17   22   31      8   14   17   18   19   20   22   25   27   30   34   39   41   42   44   44   46   48   49   51 
LCS_GDT     L   120_A     L   120_A     17   22   31      8   14   17   18   19   20   22   25   27   30   34   39   41   42   44   44   46   48   49   51 
LCS_GDT     E   121_A     E   121_A     17   22   31      8   14   17   18   19   20   22   25   27   30   34   39   41   42   44   44   46   48   49   51 
LCS_GDT     R   122_A     R   122_A     17   22   31      7   14   17   18   19   20   22   25   27   30   34   39   41   42   44   44   46   48   49   51 
LCS_GDT     L   123_A     L   123_A     17   22   31      7   14   17   18   19   20   22   25   27   30   34   39   41   42   44   44   46   48   49   51 
LCS_GDT     K   124_A     K   124_A     17   22   31      7   14   17   18   19   20   22   25   27   30   34   39   41   42   44   44   46   48   49   51 
LCS_GDT     I   125_A     I   125_A     17   22   31      8   14   17   18   19   20   22   25   27   30   34   39   41   42   44   44   46   48   49   51 
LCS_GDT     L   126_A     L   126_A     17   22   31      7   14   17   18   19   20   22   25   27   30   34   39   41   42   44   44   46   48   49   51 
LCS_GDT     R   127_A     R   127_A     17   22   31      7   14   17   18   19   20   22   25   27   30   34   39   41   42   44   44   46   48   49   51 
LCS_GDT     Q   128_A     Q   128_A     17   22   31      7   14   17   18   19   20   22   25   27   30   34   39   41   42   44   44   46   48   49   51 
LCS_GDT     R   129_A     R   129_A     17   22   31      6   14   17   18   19   20   22   25   27   30   34   39   41   42   44   44   46   48   49   51 
LCS_GDT     C   130_A     C   130_A     17   22   31      8   14   17   18   19   20   22   25   27   30   34   39   41   42   44   44   46   48   49   51 
LCS_GDT     G   131_A     G   131_A     17   22   31      5   14   17   18   19   20   22   25   27   30   34   39   41   42   44   44   46   48   49   51 
LCS_GDT     L   132_A     L   132_A      3   22   31      3    3    4   13   18   20   22   24   27   30   34   39   41   42   44   44   46   48   49   51 
LCS_GDT     D   133_A     D   133_A      3   22   31      3    3   13   18   19   20   22   25   27   30   34   39   41   42   44   44   46   48   49   51 
LCS_GDT     N   134_A     N   134_A      3   22   31      3    6   12   18   19   20   22   24   27   30   34   39   41   42   44   44   46   48   49   51 
LCS_GDT     T   135_A     T   135_A      3   22   31      3    3    5    7   19   20   22   25   27   30   34   39   41   42   44   44   46   48   49   51 
LCS_GDT     K   136_A     K   136_A      3   22   31      3    3    3    5    7   10   22   24   27   30   34   39   41   42   44   44   46   48   49   51 
LCS_GDT     Q   137_A     Q   137_A      4    6   31      3    3    4    5    8   10   22   24   27   30   34   39   41   42   44   44   46   48   49   51 
LCS_GDT     D   138_A     D   138_A      4    6   31      3    3    4    5    6    7   10   18   25   30   34   39   41   42   44   44   46   48   49   51 
LCS_GDT     D   139_A     D   139_A      4    5   31      3    3    4    5    6    8   11   12   15   28   34   39   41   42   44   44   46   48   49   51 
LCS_GDT     R   140_A     R   140_A      4    5   31      3    3    5    7   18   20   21   25   27   30   34   39   41   42   44   44   46   48   49   51 
LCS_GDT     P   141_A     P   141_A      3    4   31      3    3    3    4    4    4   17   25   25   28   33   38   40   42   44   44   45   48   49   51 
LCS_AVERAGE  LCS_A:  30.78  (  12.61   29.03   50.71 )

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     22     30     40     53     57     61     64     66     69     72     73     77     79     81     83     85     87     89     90     90 
GDT PERCENT_AT  15.60  21.28  28.37  37.59  40.43  43.26  45.39  46.81  48.94  51.06  51.77  54.61  56.03  57.45  58.87  60.28  61.70  63.12  63.83  63.83
GDT RMS_LOCAL    0.31   0.48   0.96   1.29   1.41   1.57   1.71   1.84   2.21   2.43   2.50   2.97   3.12   3.30   3.53   3.73   3.98   4.22   4.29   4.29
GDT RMS_ALL_AT  31.04  30.93  31.15  30.79  30.73  30.85  30.69  30.69  30.33  30.25  30.30  30.18  30.50  30.38  30.35  30.50  30.88  31.02  30.88  30.88

# Checking swapping
#   possible swapping detected:  F    16_A      F    16_A
#   possible swapping detected:  E    19_A      E    19_A
#   possible swapping detected:  F    21_A      F    21_A
#   possible swapping detected:  E    28_A      E    28_A
#   possible swapping detected:  E    32_A      E    32_A
#   possible swapping detected:  E    36_A      E    36_A
#   possible swapping detected:  Y    38_A      Y    38_A
#   possible swapping detected:  Y    40_A      Y    40_A
#   possible swapping detected:  Y    44_A      Y    44_A
#   possible swapping detected:  D    46_A      D    46_A
#   possible swapping detected:  D    48_A      D    48_A
#   possible swapping detected:  E    50_A      E    50_A
#   possible swapping detected:  F    52_A      F    52_A
#   possible swapping detected:  E    74_A      E    74_A
#   possible swapping detected:  E    92_A      E    92_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    A     1_A      A     1_A    18.991     0    0.199   0.236    21.446    0.000    0.000
LGA    S     2_A      S     2_A    19.520     0    0.642   0.767    23.007    0.000    0.000
LGA    R     3_A      R     3_A    15.405     0    0.133   1.100    21.024    0.000    0.000
LGA    I     4_A      I     4_A    13.793     0    0.126   0.389    18.799    0.000    0.000
LGA    D     5_A      D     5_A    13.065     0    0.028   0.754    13.766    0.000    0.000
LGA    E     6_A      E     6_A    11.569     0    0.030   0.844    14.305    0.119    0.053
LGA    K     7_A      K     7_A    10.200     0    0.055   0.604    13.579    1.548    0.688
LGA    S     8_A      S     8_A     8.350     0    0.018   0.041     9.608    6.667    5.000
LGA    S     9_A      S     9_A     7.926     0    0.068   0.757     9.434   10.595    7.540
LGA    K    10_A      K    10_A     6.314     0    0.079   1.003    12.010   18.690   10.265
LGA    A    11_A      A    11_A     5.156     0    0.045   0.051     5.683   29.048   28.476
LGA    K    12_A      K    12_A     4.156     0    0.028   0.085     6.110   40.476   32.169
LGA    V    13_A      V    13_A     3.329     0    0.030   0.857     4.862   53.810   46.735
LGA    N    14_A      N    14_A     3.092     0    0.026   0.995     4.701   55.476   47.917
LGA    D    15_A      D    15_A     2.328     0    0.026   0.968     4.003   69.048   57.976
LGA    F    16_A      F    16_A     1.339     0    0.014   0.073     1.756   83.810   76.840
LGA    L    17_A      L    17_A     0.986     0    0.017   1.360     2.867   83.690   77.440
LGA    A    18_A      A    18_A     1.462     0    0.019   0.020     1.661   81.429   79.714
LGA    E    19_A      E    19_A     0.871     0    0.012   0.850     3.428   88.214   82.116
LGA    I    20_A      I    20_A     0.616     0    0.006   0.035     1.022   88.214   94.107
LGA    F    21_A      F    21_A     1.332     0    0.047   0.079     1.997   77.143   79.091
LGA    K    22_A      K    22_A     1.944     0    0.015   0.613     3.978   70.833   62.751
LGA    K    23_A      K    23_A     1.587     0    0.012   0.719     2.692   72.857   73.069
LGA    I    24_A      I    24_A     1.382     0    0.058   0.069     1.903   77.143   81.548
LGA    G    25_A      G    25_A     1.899     0    0.172   0.172     2.863   66.905   66.905
LGA    S    26_A      S    26_A     2.032     0    0.072   0.135     2.555   70.833   67.540
LGA    K    27_A      K    27_A     2.190     0    0.013   0.836     4.877   64.762   55.450
LGA    E    28_A      E    28_A     2.107     0    0.082   0.957     5.377   68.810   51.905
LGA    N    29_A      N    29_A     1.540     0    0.033   1.039     3.313   75.000   75.417
LGA    T    30_A      T    30_A     1.921     0    0.024   0.300     2.622   72.857   69.456
LGA    K    31_A      K    31_A     2.072     0    0.026   1.151     8.800   68.810   46.190
LGA    E    32_A      E    32_A     1.239     0    0.019   1.094     4.197   83.690   72.169
LGA    G    33_A      G    33_A     0.748     0    0.006   0.006     0.890   90.476   90.476
LGA    L    34_A      L    34_A     0.827     0    0.008   0.094     1.287   90.476   85.952
LGA    A    35_A      A    35_A     0.782     0    0.015   0.016     0.907   90.476   90.476
LGA    E    36_A      E    36_A     0.614     0    0.002   0.082     1.617   95.238   87.619
LGA    L    37_A      L    37_A     0.199     0    0.023   0.084     0.372  100.000  100.000
LGA    Y    38_A      Y    38_A     0.258     0    0.010   0.103     0.887  100.000   96.825
LGA    E    39_A      E    39_A     0.483     0    0.034   0.889     2.981   95.238   83.228
LGA    Y    40_A      Y    40_A     0.539     0    0.012   0.123     1.412   92.857   89.048
LGA    K    41_A      K    41_A     0.663     0    0.019   0.587     1.977   92.857   88.571
LGA    K    42_A      K    42_A     0.867     0    0.012   0.645     2.951   85.952   84.762
LGA    K    43_A      K    43_A     1.488     0    0.020   0.920     3.133   75.119   68.783
LGA    Y    44_A      Y    44_A     2.216     0    0.351   0.379     3.542   64.881   56.865
LGA    S    45_A      S    45_A     2.588     0    0.333   0.333     3.531   55.595   61.429
LGA    D    46_A      D    46_A     6.065     0    0.546   1.248    11.035   30.714   15.714
LGA    A    47_A      A    47_A     4.727     0    0.534   0.569     5.695   42.500   38.286
LGA    D    48_A      D    48_A     1.176     0    0.606   1.364     6.213   83.810   57.321
LGA    I    49_A      I    49_A     0.707     0    0.148   0.236     1.301   88.214   90.595
LGA    E    50_A      E    50_A     1.048     0    0.069   1.281     3.857   81.429   70.053
LGA    P    51_A      P    51_A     1.744     0    0.040   0.041     1.854   72.857   72.857
LGA    F    52_A      F    52_A     1.653     0    0.037   1.483     5.381   72.857   63.810
LGA    L    53_A      L    53_A     1.007     0    0.062   0.793     2.668   83.690   79.524
LGA    K    54_A      K    54_A     0.886     0    0.016   0.995     4.433   85.952   73.386
LGA    N    55_A      N    55_A     2.145     0    0.193   0.187     2.719   66.786   62.917
LGA    S    56_A      S    56_A     2.289     0    0.040   0.680     2.443   64.762   66.111
LGA    S    57_A      S    57_A     2.707     0    0.044   0.697     4.681   59.048   54.127
LGA    Q    58_A      Q    58_A     3.319     0    0.035   1.269     9.587   50.000   31.217
LGA    F    59_A      F    59_A     3.069     0    0.020   0.066     4.661   53.571   46.061
LGA    F    60_A      F    60_A     1.367     0    0.117   0.266     1.880   79.286   81.558
LGA    Q    61_A      Q    61_A     1.131     0    0.053   0.954     4.952   81.429   64.815
LGA    S    62_A      S    62_A     1.705     0    0.015   0.031     2.203   75.000   71.587
LGA    Y    63_A      Y    63_A     1.306     0    0.026   0.178     2.552   83.690   73.849
LGA    V    64_A      V    64_A     0.409     0    0.022   1.077     2.292   92.857   85.646
LGA    E    65_A      E    65_A     1.179     0    0.021   0.894     5.395   83.690   63.915
LGA    R    66_A      R    66_A     1.354     0    0.022   1.022     5.146   81.429   68.918
LGA    G    67_A      G    67_A     0.815     0    0.055   0.055     0.912   92.857   92.857
LGA    L    68_A      L    68_A     0.212     0    0.018   0.084     0.887   97.619   96.429
LGA    R    69_A      R    69_A     0.983     0    0.013   1.291     6.803   88.214   66.407
LGA    V    70_A      V    70_A     0.457     0    0.066   1.099     3.001   95.238   84.898
LGA    I    71_A      I    71_A     0.809     0    0.025   0.644     2.354   86.190   83.988
LGA    E    72_A      E    72_A     1.731     0    0.010   0.259     2.859   72.976   67.619
LGA    M    73_A      M    73_A     1.599     0    0.017   0.999     2.540   72.857   71.071
LGA    E    74_A      E    74_A     1.511     0    0.014   0.215     1.639   75.000   79.577
LGA    R    75_A      R    75_A     1.552     0    0.049   1.120     4.451   70.833   66.537
LGA    E    76_A      E    76_A     2.596     0    0.114   0.826     5.151   53.810   48.360
LGA    G    77_A      G    77_A     3.607     0    0.572   0.572     3.607   52.024   52.024
LGA    K    78_A      K    78_A     4.213     0    0.451   1.023     9.362   50.595   26.508
LGA    G    79_A      G    79_A     5.737     0    0.630   0.630     5.737   27.738   27.738
LGA    R    80_A      R    80_A     5.810     0    0.590   1.440    15.918   37.024   14.113
LGA    I    81_A      I    81_A     2.930     0    0.610   1.228     8.666   55.357   36.667
LGA    S    82_A      S    82_A     7.342     0    0.051   0.533    11.248   11.548    7.778
LGA    T    83_A      T    83_A     9.559     0    0.593   1.138    11.097    1.310    1.973
LGA    S    84_A      S    84_A    12.555     0    0.127   0.556    12.745    0.000    0.000
LGA    T    85_A      T    85_A    15.872     0    0.598   0.605    19.179    0.000    0.000
LGA    G    86_A      G    86_A    14.673     0    0.311   0.311    14.673    0.000    0.000
LGA    I    87_A      I    87_A    13.434     0    0.010   1.331    14.215    0.000    0.000
LGA    S    88_A      S    88_A    12.521     0    0.036   0.193    15.837    0.000    0.000
LGA    P    89_A      P    89_A    10.314     0    0.092   0.405    12.043    0.000    0.000
LGA    Q    90_A      Q    90_A     9.588     0    0.026   1.291    16.006    6.548    2.910
LGA    M    91_A      M    91_A     7.312     0    0.533   0.660     9.126   15.119   10.119
LGA    E    92_A      E    92_A     7.449     0    0.435   0.889     7.912    8.571   12.910
LGA    V    93_A      V    93_A    10.474     0    0.024   1.160    11.738    0.714    0.680
LGA    T    94_A      T    94_A    15.651     0    0.080   1.129    18.248    0.000    0.000
LGA    C    95_A      C    95_A    18.845     0    0.610   0.930    19.522    0.000    0.000
LGA    V    96_A      V    96_A    23.108     0    0.018   1.146    27.012    0.000    0.000
LGA    P    97_A      P    97_A    23.912     0    0.076   0.407    27.590    0.000    0.000
LGA    T    98_A      T    98_A    28.994     0    0.069   0.153    30.766    0.000    0.000
LGA    P    99_A      P    99_A    32.070     0    0.017   0.294    35.040    0.000    0.000
LGA    T   100_A      T   100_A    34.798     0    0.149   1.036    35.782    0.000    0.000
LGA    S   101_A      S   101_A    39.973     0    0.601   0.753    43.085    0.000    0.000
LGA    T   102_A      T   102_A    38.776     0    0.595   0.865    41.734    0.000    0.000
LGA    V   103_A      V   103_A    35.238     0    0.611   0.838    36.446    0.000    0.000
LGA    S   104_A      S   104_A    34.878     0    0.099   0.697    37.012    0.000    0.000
LGA    S   105_A      S   105_A    36.590     0    0.048   0.072    37.224    0.000    0.000
LGA    I   106_A      I   106_A    37.430     0    0.004   0.290    43.795    0.000    0.000
LGA    G   107_A      G   107_A    34.173     0    0.169   0.169    34.928    0.000    0.000
LGA    N   108_A      N   108_A    34.730     0    0.041   0.679    38.181    0.000    0.000
LGA    T   109_A      T   109_A    32.622     0    0.069   0.095    33.665    0.000    0.000
LGA    N   110_A      N   110_A    32.822     0    0.241   0.288    35.085    0.000    0.000
LGA    G   111_A      G   111_A    30.865     0    0.098   0.098    31.708    0.000    0.000
LGA    E   112_A      E   112_A    29.513     0    0.346   1.075    33.135    0.000    0.000
LGA    E   113_A      E   113_A    27.165     0    0.522   0.816    28.946    0.000    0.000
LGA    V   114_A      V   114_A    31.584     0    0.011   0.907    35.429    0.000    0.000
LGA    G   115_A      G   115_A    31.878     0    0.579   0.579    34.415    0.000    0.000
LGA    P   116_A      P   116_A    37.147     0    0.020   0.026    40.118    0.000    0.000
LGA    S   117_A      S   117_A    41.439     0    0.007   0.029    42.766    0.000    0.000
LGA    V   118_A      V   118_A    38.300     0    0.029   0.888    39.835    0.000    0.000
LGA    Y   119_A      Y   119_A    38.042     0    0.009   1.366    41.543    0.000    0.000
LGA    L   120_A      L   120_A    44.883     0    0.016   0.081    47.775    0.000    0.000
LGA    E   121_A      E   121_A    46.781     0    0.021   0.904    48.061    0.000    0.000
LGA    R   122_A      R   122_A    42.954     0    0.020   1.126    44.871    0.000    0.000
LGA    L   123_A      L   123_A    44.513     0    0.008   0.190    48.285    0.000    0.000
LGA    K   124_A      K   124_A    51.731     0    0.027   0.937    61.683    0.000    0.000
LGA    I   125_A      I   125_A    51.634     0    0.014   0.049    52.509    0.000    0.000
LGA    L   126_A      L   126_A    47.915     0    0.040   1.401    50.627    0.000    0.000
LGA    R   127_A      R   127_A    52.445     0    0.025   0.977    57.195    0.000    0.000
LGA    Q   128_A      Q   128_A    58.700     0    0.043   0.820    61.600    0.000    0.000
LGA    R   129_A      R   129_A    56.665     0    0.073   1.111    57.949    0.000    0.000
LGA    C   130_A      C   130_A    55.325     0    0.175   0.177    58.154    0.000    0.000
LGA    G   131_A      G   131_A    61.912     0    0.648   0.648    62.131    0.000    0.000
LGA    L   132_A      L   132_A    62.381     0    0.568   0.632    63.484    0.000    0.000
LGA    D   133_A      D   133_A    64.893     0    0.535   0.971    68.677    0.000    0.000
LGA    N   134_A      N   134_A    69.811     0    0.472   1.159    72.882    0.000    0.000
LGA    T   135_A      T   135_A    74.639     0    0.598   0.983    77.848    0.000    0.000
LGA    K   136_A      K   136_A    81.333     0    0.163   1.118    84.030    0.000    0.000
LGA    Q   137_A      Q   137_A    86.670     0    0.072   0.264    90.578    0.000    0.000
LGA    D   138_A      D   138_A    90.315     0    0.601   0.753    92.128    0.000    0.000
LGA    D   139_A      D   139_A    95.616     0    0.008   0.879    98.215    0.000    0.000
LGA    R   140_A      R   140_A    98.424     0    0.275   1.528   107.149    0.000    0.000
LGA    P   141_A      P   141_A    96.840     0    0.174   0.456    98.858    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      141     564    564  100.00    1112   1112  100.00               141
SUMMARY(RMSD_GDC):    21.599         21.391                 21.967           37.556   34.156

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  141  141    4.0     66    1.84    41.489    39.845     3.396

LGA_LOCAL      RMSD:   1.843  Number of atoms:   66  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  30.695  Number of assigned atoms:  141 
Std_ASGN_ATOMS RMSD:  21.599  Standard rmsd on all 141 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.261647 * X  +  -0.686568 * Y  +   0.678355 * Z  +  -2.937210
  Y_new =  -0.625280 * X  +  -0.655980 * Y  +  -0.422747 * Z  +  -6.591192
  Z_new =   0.735232 * X  +  -0.313551 * Y  +  -0.600932 * Z  +  -0.473658 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.174489 -0.826009 -2.660677   [DEG:  -67.2933  -47.3268 -152.4456 ]
ZXZ:  1.013496  2.215463  1.973908   [DEG:   58.0691  126.9367  113.0966 ]
 
# END of job
