
#######################################################
#                                                     #
#                        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:    95       1_A - 95_A        4.87    29.12
  LONGEST_CONTINUOUS_SEGMENT:    95       2_A - 96_A        4.98    28.89
  LCS_AVERAGE:     52.57

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    67      11_A - 77_A        1.99    28.11
  LCS_AVERAGE:     29.17

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    35      10_A - 44_A        0.98    28.42
  LONGEST_CONTINUOUS_SEGMENT:    35      11_A - 45_A        0.97    28.33
  LCS_AVERAGE:     12.85

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   95      0    3    3    3    4    6   12   14   16   22   31   38   53   61   63   71   82   88   92   93 
LCS_GDT     S     2_A     S     2_A      4    5   95      3    4    4    4    4    8    9   11   16   22   28   41   58   63   72   75   76   84   92   93 
LCS_GDT     R     3_A     R     3_A      4   40   95      3    4    4    4    6   15   43   48   54   58   65   70   74   82   85   86   87   90   92   93 
LCS_GDT     I     4_A     I     4_A     18   42   95      3   13   21   30   38   45   49   58   60   66   68   72   75   84   85   88   88   90   92   93 
LCS_GDT     D     5_A     D     5_A     18   43   95      4   12   16   24   40   43   49   58   60   66   68   72   82   84   85   88   88   90   92   93 
LCS_GDT     E     6_A     E     6_A     18   43   95      5   13   21   31   40   45   49   58   61   66   74   80   82   84   85   88   88   90   92   93 
LCS_GDT     K     7_A     K     7_A     18   44   95      6   14   23   35   40   46   51   59   65   75   77   80   82   84   85   88   88   90   92   93 
LCS_GDT     S     8_A     S     8_A     19   46   95      6   15   30   38   42   52   60   65   70   75   77   80   82   84   85   88   88   90   92   93 
LCS_GDT     S     9_A     S     9_A     31   46   95      5   14   23   36   42   48   58   66   70   75   77   80   82   84   85   88   88   90   92   93 
LCS_GDT     K    10_A     K    10_A     35   46   95      8   23   32   38   49   56   63   66   70   75   77   80   82   84   85   88   88   90   92   93 
LCS_GDT     A    11_A     A    11_A     35   67   95      9   26   35   43   52   60   65   67   70   75   77   80   82   84   85   88   88   90   92   93 
LCS_GDT     K    12_A     K    12_A     35   67   95      9   26   37   47   58   61   65   67   70   75   77   80   82   84   85   88   88   90   92   93 
LCS_GDT     V    13_A     V    13_A     35   67   95      9   28   37   50   58   61   65   67   70   75   77   80   82   84   85   88   88   90   92   93 
LCS_GDT     N    14_A     N    14_A     35   67   95     12   28   37   50   58   61   65   67   70   75   77   80   82   84   85   88   88   90   92   93 
LCS_GDT     D    15_A     D    15_A     35   67   95     12   28   37   52   58   61   65   67   70   75   77   80   82   84   85   88   88   90   92   93 
LCS_GDT     F    16_A     F    16_A     35   67   95      9   28   40   53   58   61   65   67   70   75   77   80   82   84   85   88   88   90   92   93 
LCS_GDT     L    17_A     L    17_A     35   67   95     22   29   42   53   58   61   65   67   70   75   77   80   82   84   85   88   88   90   92   93 
LCS_GDT     A    18_A     A    18_A     35   67   95     22   29   42   53   58   61   65   67   70   75   77   80   82   84   85   88   88   90   92   93 
LCS_GDT     E    19_A     E    19_A     35   67   95     22   29   42   53   58   61   65   67   70   75   77   80   82   84   85   88   88   90   92   93 
LCS_GDT     I    20_A     I    20_A     35   67   95     22   29   42   53   58   61   65   67   70   75   77   80   82   84   85   88   88   90   92   93 
LCS_GDT     F    21_A     F    21_A     35   67   95     22   29   42   53   58   61   65   67   70   75   77   80   82   84   85   88   88   90   92   93 
LCS_GDT     K    22_A     K    22_A     35   67   95     22   29   42   53   58   61   65   67   70   75   77   80   82   84   85   88   88   90   92   93 
LCS_GDT     K    23_A     K    23_A     35   67   95     22   29   42   53   58   61   65   67   70   75   77   80   82   84   85   88   88   90   92   93 
LCS_GDT     I    24_A     I    24_A     35   67   95     22   29   42   53   58   61   65   67   70   75   77   80   82   84   85   88   88   90   92   93 
LCS_GDT     G    25_A     G    25_A     35   67   95     22   29   42   53   58   61   65   67   70   75   77   80   82   84   85   88   88   90   92   93 
LCS_GDT     S    26_A     S    26_A     35   67   95     22   29   42   53   58   61   65   67   70   75   77   80   82   84   85   88   88   90   92   93 
LCS_GDT     K    27_A     K    27_A     35   67   95     22   29   42   53   58   61   65   67   70   75   77   80   82   84   85   88   88   90   92   93 
LCS_GDT     E    28_A     E    28_A     35   67   95     22   29   42   53   58   61   65   67   70   75   77   80   82   84   85   88   88   90   92   93 
LCS_GDT     N    29_A     N    29_A     35   67   95     22   29   42   53   58   61   65   67   70   75   77   80   82   84   85   88   88   90   92   93 
LCS_GDT     T    30_A     T    30_A     35   67   95     22   29   42   53   58   61   65   67   70   75   77   80   82   84   85   88   88   90   92   93 
LCS_GDT     K    31_A     K    31_A     35   67   95     14   28   40   53   58   61   65   67   70   75   77   80   82   84   85   88   88   90   92   93 
LCS_GDT     E    32_A     E    32_A     35   67   95     14   29   42   53   58   61   65   67   70   75   77   80   82   84   85   88   88   90   92   93 
LCS_GDT     G    33_A     G    33_A     35   67   95     22   29   42   53   58   61   65   67   70   75   77   80   82   84   85   88   88   90   92   93 
LCS_GDT     L    34_A     L    34_A     35   67   95     22   29   42   53   58   61   65   67   70   75   77   80   82   84   85   88   88   90   92   93 
LCS_GDT     A    35_A     A    35_A     35   67   95     22   29   42   53   58   61   65   67   70   75   77   80   82   84   85   88   88   90   92   93 
LCS_GDT     E    36_A     E    36_A     35   67   95     22   29   42   53   58   61   65   67   70   75   77   80   82   84   85   88   88   90   92   93 
LCS_GDT     L    37_A     L    37_A     35   67   95     22   29   42   53   58   61   65   67   70   75   77   80   82   84   85   88   88   90   92   93 
LCS_GDT     Y    38_A     Y    38_A     35   67   95     22   29   42   53   58   61   65   67   70   75   77   80   82   84   85   88   88   90   92   93 
LCS_GDT     E    39_A     E    39_A     35   67   95     19   29   42   53   58   61   65   67   70   75   77   80   82   84   85   88   88   90   92   93 
LCS_GDT     Y    40_A     Y    40_A     35   67   95     13   29   42   53   58   61   65   67   70   75   77   80   82   84   85   88   88   90   92   93 
LCS_GDT     K    41_A     K    41_A     35   67   95     14   29   42   53   58   61   65   67   70   75   77   80   82   84   85   88   88   90   92   93 
LCS_GDT     K    42_A     K    42_A     35   67   95     14   28   42   53   58   61   65   67   70   75   77   80   82   84   85   88   88   90   92   93 
LCS_GDT     K    43_A     K    43_A     35   67   95     14   28   39   53   58   61   65   67   70   75   77   80   82   84   85   88   88   90   92   93 
LCS_GDT     Y    44_A     Y    44_A     35   67   95     11   26   36   51   58   61   65   67   70   75   77   80   82   84   85   88   88   90   92   93 
LCS_GDT     S    45_A     S    45_A     35   67   95      4   21   35   48   57   61   65   67   70   75   77   80   82   84   85   88   88   90   92   93 
LCS_GDT     D    46_A     D    46_A      4   67   95      3    4    4    6   11   23   38   49   61   66   70   79   82   84   85   88   88   90   92   93 
LCS_GDT     A    47_A     A    47_A      4   67   95      3    4    4   30   45   50   65   66   70   75   77   80   82   84   85   88   88   90   92   93 
LCS_GDT     D    48_A     D    48_A     22   67   95      7   22   42   53   58   61   65   67   70   75   77   80   82   84   85   88   88   90   92   93 
LCS_GDT     I    49_A     I    49_A     22   67   95     11   29   42   53   58   61   65   67   70   75   77   80   82   84   85   88   88   90   92   93 
LCS_GDT     E    50_A     E    50_A     22   67   95     11   23   42   53   58   61   65   67   70   75   77   80   82   84   85   88   88   90   92   93 
LCS_GDT     P    51_A     P    51_A     22   67   95     11   22   42   53   58   61   65   67   70   75   77   80   82   84   85   88   88   90   92   93 
LCS_GDT     F    52_A     F    52_A     22   67   95     11   22   42   53   58   61   65   67   70   75   77   80   82   84   85   88   88   90   92   93 
LCS_GDT     L    53_A     L    53_A     22   67   95     11   22   42   53   58   61   65   67   70   75   77   80   82   84   85   88   88   90   92   93 
LCS_GDT     K    54_A     K    54_A     22   67   95      7   22   42   53   58   61   65   67   70   75   77   80   82   84   85   88   88   90   92   93 
LCS_GDT     N    55_A     N    55_A     22   67   95      7   22   39   53   57   61   65   67   70   74   77   80   82   84   85   88   88   90   92   93 
LCS_GDT     S    56_A     S    56_A     22   67   95      7   22   36   53   57   61   65   67   70   75   77   80   82   84   85   88   88   90   92   93 
LCS_GDT     S    57_A     S    57_A     22   67   95      6   21   36   49   57   61   65   67   70   75   77   80   82   84   85   88   88   90   92   93 
LCS_GDT     Q    58_A     Q    58_A     22   67   95      4    9   33   45   56   61   65   67   70   75   77   80   82   84   85   88   88   90   92   93 
LCS_GDT     F    59_A     F    59_A     22   67   95      4   13   34   45   56   61   65   67   70   75   77   80   82   84   85   88   88   90   92   93 
LCS_GDT     F    60_A     F    60_A     22   67   95      4   21   39   53   58   61   65   67   70   75   77   80   82   84   85   88   88   90   92   93 
LCS_GDT     Q    61_A     Q    61_A     22   67   95     11   22   42   53   58   61   65   67   70   75   77   80   82   84   85   88   88   90   92   93 
LCS_GDT     S    62_A     S    62_A     22   67   95      7   21   39   53   58   61   65   67   70   75   77   80   82   84   85   88   88   90   92   93 
LCS_GDT     Y    63_A     Y    63_A     22   67   95      7   21   42   53   58   61   65   67   70   75   77   80   82   84   85   88   88   90   92   93 
LCS_GDT     V    64_A     V    64_A     22   67   95     11   29   42   53   58   61   65   67   70   75   77   80   82   84   85   88   88   90   92   93 
LCS_GDT     E    65_A     E    65_A     22   67   95      7   21   42   53   58   61   65   67   70   75   77   80   82   84   85   88   88   90   92   93 
LCS_GDT     R    66_A     R    66_A     22   67   95      7   21   42   53   58   61   65   67   70   75   77   80   82   84   85   88   88   90   92   93 
LCS_GDT     G    67_A     G    67_A     22   67   95      9   26   42   53   58   61   65   67   70   75   77   80   82   84   85   88   88   90   92   93 
LCS_GDT     L    68_A     L    68_A     22   67   95     22   29   42   53   58   61   65   67   70   75   77   80   82   84   85   88   88   90   92   93 
LCS_GDT     R    69_A     R    69_A     22   67   95     19   29   42   53   58   61   65   67   70   75   77   80   82   84   85   88   88   90   92   93 
LCS_GDT     V    70_A     V    70_A     19   67   95     22   29   42   53   58   61   65   67   70   75   77   80   82   84   85   88   88   90   92   93 
LCS_GDT     I    71_A     I    71_A     19   67   95     11   22   42   53   58   61   65   67   70   75   77   80   82   84   85   88   88   90   92   93 
LCS_GDT     E    72_A     E    72_A     19   67   95      9   23   40   53   58   61   65   67   70   75   77   80   82   84   85   88   88   90   92   93 
LCS_GDT     M    73_A     M    73_A     19   67   95      9   28   41   53   58   61   65   67   70   75   77   80   82   84   85   88   88   90   92   93 
LCS_GDT     E    74_A     E    74_A     19   67   95     10   21   41   53   58   61   65   67   70   75   77   80   82   84   85   88   88   90   92   93 
LCS_GDT     R    75_A     R    75_A     19   67   95     10   21   41   53   58   61   65   67   70   75   77   80   82   84   85   88   88   90   92   93 
LCS_GDT     E    76_A     E    76_A     19   67   95     10   21   35   52   58   61   65   66   70   75   77   80   82   84   85   88   88   90   92   93 
LCS_GDT     G    77_A     G    77_A     19   67   95     10   21   35   47   58   61   65   66   70   75   77   80   82   84   85   88   88   90   92   93 
LCS_GDT     K    78_A     K    78_A      4   66   95      7   13   23   39   51   56   61   65   69   74   77   80   82   84   85   88   88   90   92   93 
LCS_GDT     G    79_A     G    79_A      4   32   95      4   10   13   24   38   49   53   59   65   68   69   74   79   81   83   88   88   90   92   93 
LCS_GDT     R    80_A     R    80_A      4    8   95      3    4    4    6    8    8   12   15   20   59   67   71   71   74   79   88   88   90   92   93 
LCS_GDT     I    81_A     I    81_A      4    8   95      3    3    4    6    8    8   12   62   66   75   77   80   82   84   85   88   88   90   92   93 
LCS_GDT     S    82_A     S    82_A      4    8   95      3    3   10   17   39   54   56   64   70   74   76   80   82   84   85   88   88   90   92   93 
LCS_GDT     T    83_A     T    83_A      4    8   95      3    4    4   16   24   29   51   52   59   64   68   73   77   79   81   88   88   90   92   93 
LCS_GDT     S    84_A     S    84_A      4    6   95      3    4    4    5    5    8    9   12   15   36   54   60   70   78   81   83   85   90   91   92 
LCS_GDT     T    85_A     T    85_A      3    8   95      3    5    6    6    8   11   13   15   19   23   30   37   45   77   80   83   87   90   91   92 
LCS_GDT     G    86_A     G    86_A      4    8   95      2    5    6    6    8   11   13   15   19   27   53   74   82   83   83   88   88   90   91   93 
LCS_GDT     I    87_A     I    87_A      4    8   95      3    4    6    6    8   11   13   15   19   68   72   79   82   83   83   88   88   90   92   93 
LCS_GDT     S    88_A     S    88_A      5    8   95      3    3    5    5    7   51   60   67   70   75   77   80   82   84   85   88   88   90   92   93 
LCS_GDT     P    89_A     P    89_A      5    8   95      3    5    6    6    8   56   62   67   70   75   77   80   82   84   85   88   88   90   92   93 
LCS_GDT     Q    90_A     Q    90_A      5    8   95      3    5    6    6    8   55   59   67   70   75   77   80   82   84   85   88   88   90   92   93 
LCS_GDT     M    91_A     M    91_A      5    8   95      3    5    6    6    8    8   58   67   70   75   77   80   82   84   85   88   88   90   92   93 
LCS_GDT     E    92_A     E    92_A      5    8   95      3    4    5    6    7   11   57   63   70   74   77   80   82   84   85   88   88   90   92   93 
LCS_GDT     V    93_A     V    93_A      4    6   95      3    4    4    5    5    6    9    9   13   75   77   80   82   84   85   88   88   90   92   93 
LCS_GDT     T    94_A     T    94_A      4    6   95      3    4    4    5    5    7    9    9   11   14   72   79   80   84   85   86   87   90   92   93 
LCS_GDT     C    95_A     C    95_A      4    8   95      3    4    4    6    7    8    9   11   12   42   67   69   72   79   80   85   86   88   92   93 
LCS_GDT     V    96_A     V    96_A      3    8   95      0    3    5    8    8    8    9   11   12   14   17   18   39   51   58   72   78   82   83   86 
LCS_GDT     P    97_A     P    97_A      6    8   91      2    5    5    8    8    8    9   10   11   14   17   18   19   21   40   48   59   77   77   79 
LCS_GDT     T    98_A     T    98_A      6    8   16      3    5    5    8    8    8    9   11   12   14   17   18   28   34   49   59   62   67   72   74 
LCS_GDT     P    99_A     P    99_A      6    8   16      3    5    5    8    8    8    9   11   12   14   17   18   24   26   37   49   53   64   67   70 
LCS_GDT     T   100_A     T   100_A      6    8   16      3    5    5    8    8    8    9   11   12   14   17   18   19   21   28   30   32   36   44   52 
LCS_GDT     S   101_A     S   101_A      6    8   16      3    5    5    8    8    8    9   11   12   14   17   18   19   21   28   30   32   36   39   42 
LCS_GDT     T   102_A     T   102_A      6    9   16      0    3    5    8    8    8   10   11   12   14   17   19   21   24   26   27   30   35   39   42 
LCS_GDT     V   103_A     V   103_A      8    9   17      4    8    8    8    8   10   10   11   13   13   15   17   21   24   25   26   30   34   37   42 
LCS_GDT     S   104_A     S   104_A      8    9   20      2    8    8    8    8   10   11   12   13   14   16   20   21   24   25   27   28   34   37   42 
LCS_GDT     S   105_A     S   105_A      8    9   27      5    8    8    8    8   10   11   12   14   17   20   23   25   25   27   27   30   34   37   42 
LCS_GDT     I   106_A     I   106_A      8    9   27      5    8    8    8    8   10   11   12   14   17   20   23   25   26   28   32   35   37   39   44 
LCS_GDT     G   107_A     G   107_A      8    9   27      4    8    8    8    8   10   11   12   15   18   20   23   28   30   37   39   42   46   47   49 
LCS_GDT     N   108_A     N   108_A      8    9   27      5    8    8    8    8   10   11   12   15   17   20   26   28   33   37   39   42   46   47   49 
LCS_GDT     T   109_A     T   109_A      8    9   27      5    8    8    8    8   10   11   12   13   16   19   21   25   26   28   35   42   46   47   49 
LCS_GDT     N   110_A     N   110_A      8    9   27      5    8    8    8    8   10   11   12   13   16   18   21   24   26   28   30   32   36   39   44 
LCS_GDT     G   111_A     G   111_A      3    9   31      3    3    3    6    8   10   11   12   13   16   19   23   25   26   28   30   31   36   39   44 
LCS_GDT     E   112_A     E   112_A      3    9   31      3    3    3    6    7   10   11   12   15   19   20   22   25   29   35   39   43   46   47   49 
LCS_GDT     E   113_A     E   113_A      4    6   31      3    3    5    7    9   14   17   19   22   28   32   35   37   39   41   42   43   46   47   49 
LCS_GDT     V   114_A     V   114_A      4   20   31      3    3    4    8    8   11   16   23   26   28   32   35   37   39   41   42   43   46   47   49 
LCS_GDT     G   115_A     G   115_A     17   23   31      7   14   17   18   19   22   23   24   26   27   29   34   35   39   41   42   43   46   47   49 
LCS_GDT     P   116_A     P   116_A     17   23   31      7   14   17   18   19   22   23   24   26   27   30   34   37   39   41   42   43   46   47   49 
LCS_GDT     S   117_A     S   117_A     17   23   31      7   14   17   18   19   22   23   24   26   28   32   35   37   39   41   42   43   46   47   49 
LCS_GDT     V   118_A     V   118_A     17   23   31      7   14   17   18   19   22   23   24   26   28   32   35   37   39   41   42   43   46   47   49 
LCS_GDT     Y   119_A     Y   119_A     17   23   31      7   14   17   18   19   22   23   24   26   28   32   35   37   39   41   42   43   46   47   49 
LCS_GDT     L   120_A     L   120_A     17   23   31      7   14   17   18   19   22   23   24   26   28   32   35   37   39   41   42   43   46   47   49 
LCS_GDT     E   121_A     E   121_A     17   23   31      7   14   17   18   19   22   23   24   26   28   32   35   37   39   41   42   43   46   47   49 
LCS_GDT     R   122_A     R   122_A     17   23   31      7   14   17   18   19   22   23   24   26   28   32   35   37   39   41   42   43   46   47   49 
LCS_GDT     L   123_A     L   123_A     17   23   31      7   14   17   18   19   22   23   24   26   28   32   35   37   39   41   42   43   46   47   49 
LCS_GDT     K   124_A     K   124_A     17   23   31      7   14   17   18   19   22   23   24   26   28   32   35   37   39   41   42   43   46   47   49 
LCS_GDT     I   125_A     I   125_A     17   23   31      7   14   17   18   19   22   23   24   26   28   32   35   37   39   41   42   43   46   47   49 
LCS_GDT     L   126_A     L   126_A     17   23   31      7   14   17   18   19   22   23   24   26   28   32   35   37   39   41   42   43   46   47   49 
LCS_GDT     R   127_A     R   127_A     17   23   31      7   14   17   18   19   22   23   24   26   28   32   35   37   39   41   42   43   46   47   49 
LCS_GDT     Q   128_A     Q   128_A     17   23   31      7   14   17   18   19   22   23   24   26   28   32   35   37   39   41   42   43   46   47   49 
LCS_GDT     R   129_A     R   129_A     17   23   31      7   14   17   18   19   22   23   24   26   28   32   35   37   39   41   42   43   46   47   49 
LCS_GDT     C   130_A     C   130_A     17   23   31      7   14   17   18   19   22   23   24   26   28   32   35   37   39   41   42   43   46   47   49 
LCS_GDT     G   131_A     G   131_A     17   23   31      6   13   17   18   19   22   23   24   26   28   32   35   37   39   41   42   43   46   47   49 
LCS_GDT     L   132_A     L   132_A      3   23   31      3    3    5   15   19   22   23   24   26   28   32   35   37   39   41   42   43   46   47   49 
LCS_GDT     D   133_A     D   133_A      3   23   31      3    3   14   18   19   22   23   24   26   28   32   35   37   39   41   42   43   46   47   49 
LCS_GDT     N   134_A     N   134_A      3   23   31      3    3   13   17   19   20   23   24   26   28   32   35   37   39   41   42   43   46   47   49 
LCS_GDT     T   135_A     T   135_A      4   23   31      1    4    5    7   16   22   23   24   26   28   32   35   37   39   41   42   43   46   47   49 
LCS_GDT     K   136_A     K   136_A      4   23   31      2    4    5    7    7   22   23   24   26   27   32   35   37   39   41   42   43   46   47   49 
LCS_GDT     Q   137_A     Q   137_A      4   23   31      3    4    5    7    7   22   23   24   26   27   32   35   37   39   41   42   43   46   47   49 
LCS_GDT     D   138_A     D   138_A      4    8   31      3    4    5    7    7    9   13   18   25   28   32   35   37   39   41   42   43   46   47   49 
LCS_GDT     D   139_A     D   139_A      4    8   31      3    3    4    7    7   11   19   24   26   27   32   35   37   39   41   42   43   46   47   49 
LCS_GDT     R   140_A     R   140_A      3    8   31      3    3    4    5    7   10   21   22   26   28   32   35   37   39   41   42   43   46   47   49 
LCS_GDT     P   141_A     P   141_A      3    4   31      0    3    3    3    4    4    4    4    5    5   23   35   37   39   41   42   43   46   47   49 
LCS_AVERAGE  LCS_A:  31.53  (  12.85   29.17   52.57 )

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     29     42     53     58     61     65     67     70     75     77     80     82     84     85     88     88     90     92     93 
GDT PERCENT_AT  15.60  20.57  29.79  37.59  41.13  43.26  46.10  47.52  49.65  53.19  54.61  56.74  58.16  59.57  60.28  62.41  62.41  63.83  65.25  65.96
GDT RMS_LOCAL    0.32   0.56   0.99   1.24   1.46   1.54   1.77   2.07   2.29   2.79   2.78   3.11   3.26   3.56   3.70   3.95   3.95   4.15   4.64   4.70
GDT RMS_ALL_AT  28.82  28.76  28.82  28.49  28.17  28.23  28.16  28.92  29.08  28.72  28.82  28.86  29.14  28.71  28.71  29.19  29.19  29.44  28.80  28.90

# Checking swapping
#   possible swapping detected:  F    16_A      F    16_A
#   possible swapping detected:  F    21_A      F    21_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:  E    74_A      E    74_A
#   possible swapping detected:  E    92_A      E    92_A
#   possible swapping detected:  E   112_A      E   112_A
#   possible swapping detected:  E   113_A      E   113_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    A     1_A      A     1_A    15.681     0    0.658   0.606    17.976    0.000    0.000
LGA    S     2_A      S     2_A    16.332     0    0.658   0.786    20.053    0.000    0.000
LGA    R     3_A      R     3_A    11.969     0    0.088   1.084    16.031    0.119    0.043
LGA    I     4_A      I     4_A    12.081     0    0.082   0.815    18.345    0.000    0.000
LGA    D     5_A      D     5_A    11.476     0    0.051   0.780    12.020    0.000    0.000
LGA    E     6_A      E     6_A    10.090     0    0.021   0.739    11.763    1.548    0.688
LGA    K     7_A      K     7_A     8.857     0    0.038   0.673    14.093    5.119    2.487
LGA    S     8_A      S     8_A     7.469     0    0.011   0.060     8.770   10.476    8.651
LGA    S     9_A      S     9_A     7.246     0    0.035   0.744     8.949   15.119   11.349
LGA    K    10_A      K    10_A     5.572     0    0.087   0.620     7.658   26.786   19.947
LGA    A    11_A      A    11_A     4.585     0    0.032   0.037     5.079   34.524   33.905
LGA    K    12_A      K    12_A     3.804     0    0.019   0.069     6.286   46.905   35.661
LGA    V    13_A      V    13_A     2.830     0    0.034   0.863     4.096   61.190   54.626
LGA    N    14_A      N    14_A     2.706     0    0.018   0.972     4.703   62.976   54.167
LGA    D    15_A      D    15_A     2.105     0    0.021   0.978     3.348   70.952   65.060
LGA    F    16_A      F    16_A     1.257     0    0.013   0.092     1.756   83.810   78.398
LGA    L    17_A      L    17_A     0.728     0    0.020   1.381     2.821   90.476   80.833
LGA    A    18_A      A    18_A     1.038     0    0.020   0.020     1.169   88.214   86.857
LGA    E    19_A      E    19_A     0.423     0    0.011   0.845     3.119   95.238   78.889
LGA    I    20_A      I    20_A     0.563     0    0.014   0.039     0.934   92.857   95.238
LGA    F    21_A      F    21_A     1.158     0    0.045   0.215     1.727   81.548   79.913
LGA    K    22_A      K    22_A     1.383     0    0.016   0.628     3.261   79.286   73.492
LGA    K    23_A      K    23_A     1.224     0    0.016   0.829     3.366   81.429   78.995
LGA    I    24_A      I    24_A     1.234     0    0.051   0.058     1.670   79.286   82.619
LGA    G    25_A      G    25_A     1.367     0    0.175   0.175     2.016   75.119   75.119
LGA    S    26_A      S    26_A     1.264     0    0.083   0.670     1.367   83.690   82.937
LGA    K    27_A      K    27_A     1.484     0    0.011   0.852     5.778   81.429   62.857
LGA    E    28_A      E    28_A     1.322     0    0.063   0.314     1.866   81.429   81.481
LGA    N    29_A      N    29_A     1.107     0    0.042   1.083     2.531   83.690   80.714
LGA    T    30_A      T    30_A     1.595     0    0.024   0.266     2.115   75.000   72.925
LGA    K    31_A      K    31_A     2.044     0    0.022   1.131     8.227   70.833   48.307
LGA    E    32_A      E    32_A     1.443     0    0.021   1.112     3.609   79.286   70.688
LGA    G    33_A      G    33_A     0.849     0    0.006   0.006     1.030   88.214   88.214
LGA    L    34_A      L    34_A     1.111     0    0.007   0.083     1.697   83.690   79.345
LGA    A    35_A      A    35_A     1.028     0    0.012   0.014     1.125   85.952   85.048
LGA    E    36_A      E    36_A     0.598     0    0.005   0.085     1.450   92.857   88.519
LGA    L    37_A      L    37_A     0.478     0    0.030   0.091     0.716   95.238   92.857
LGA    Y    38_A      Y    38_A     0.838     0    0.010   0.106     0.956   90.476   90.476
LGA    E    39_A      E    39_A     0.777     0    0.035   0.875     3.421   88.214   77.619
LGA    Y    40_A      Y    40_A     0.839     0    0.012   0.122     2.239   85.952   80.159
LGA    K    41_A      K    41_A     1.263     0    0.019   0.791     2.008   79.286   75.767
LGA    K    42_A      K    42_A     1.571     0    0.015   0.651     2.658   75.000   73.968
LGA    K    43_A      K    43_A     1.678     0    0.025   1.004     4.235   69.048   61.270
LGA    Y    44_A      Y    44_A     2.771     0    0.326   0.347     3.604   55.476   53.095
LGA    S    45_A      S    45_A     3.848     0    0.327   0.565     4.739   40.476   41.508
LGA    D    46_A      D    46_A     7.002     0    0.530   0.997    11.565   20.952   10.536
LGA    A    47_A      A    47_A     5.296     0    0.534   0.568     6.120   38.095   33.905
LGA    D    48_A      D    48_A     1.754     0    0.612   1.361     6.162   73.214   50.595
LGA    I    49_A      I    49_A     1.092     0    0.138   0.482     1.835   81.429   80.357
LGA    E    50_A      E    50_A     1.333     0    0.070   0.802     2.445   79.286   76.720
LGA    P    51_A      P    51_A     1.866     0    0.029   0.034     2.102   72.857   70.544
LGA    F    52_A      F    52_A     1.703     0    0.011   1.153     4.387   72.857   62.987
LGA    L    53_A      L    53_A     0.916     0    0.034   0.567     1.939   85.952   83.750
LGA    K    54_A      K    54_A     1.010     0    0.025   0.597     2.180   81.548   83.651
LGA    N    55_A      N    55_A     2.234     0    0.164   0.884     5.903   66.786   52.738
LGA    S    56_A      S    56_A     2.163     0    0.025   0.614     2.991   64.762   64.841
LGA    S    57_A      S    57_A     2.592     0    0.021   0.729     4.715   60.952   55.397
LGA    Q    58_A      Q    58_A     3.088     0    0.036   1.203     9.362   55.357   33.545
LGA    F    59_A      F    59_A     2.982     0    0.024   0.078     4.829   59.048   47.532
LGA    F    60_A      F    60_A     1.292     0    0.117   0.264     1.767   83.810   83.203
LGA    Q    61_A      Q    61_A     0.910     0    0.056   0.941     5.144   90.476   70.159
LGA    S    62_A      S    62_A     1.249     0    0.016   0.037     1.724   81.429   78.571
LGA    Y    63_A      Y    63_A     0.865     0    0.028   0.162     2.041   90.476   80.913
LGA    V    64_A      V    64_A     0.403     0    0.018   1.068     2.114   97.619   88.367
LGA    E    65_A      E    65_A     0.934     0    0.017   0.907     5.533   90.476   67.354
LGA    R    66_A      R    66_A     0.630     0    0.017   1.049     3.896   95.238   83.074
LGA    G    67_A      G    67_A     0.571     0    0.056   0.056     0.965   92.857   92.857
LGA    L    68_A      L    68_A     1.043     0    0.018   0.085     1.678   81.548   81.488
LGA    R    69_A      R    69_A     1.575     0    0.010   1.327     7.699   75.000   55.411
LGA    V    70_A      V    70_A     1.157     0    0.064   1.104     2.210   77.143   76.667
LGA    I    71_A      I    71_A     2.021     0    0.027   0.633     2.994   62.976   66.012
LGA    E    72_A      E    72_A     2.959     0    0.016   0.780     5.558   53.810   45.714
LGA    M    73_A      M    73_A     2.987     0    0.019   0.998     4.044   53.571   53.393
LGA    E    74_A      E    74_A     3.041     0    0.020   0.328     3.239   51.786   55.608
LGA    R    75_A      R    75_A     3.038     0    0.066   1.133     6.035   48.333   45.887
LGA    E    76_A      E    76_A     3.860     0    0.095   0.849     5.957   38.810   34.974
LGA    G    77_A      G    77_A     4.301     0    0.540   0.540     4.352   40.238   40.238
LGA    K    78_A      K    78_A     6.002     0    0.454   1.149     8.745   24.405   14.074
LGA    G    79_A      G    79_A     8.497     0    0.222   0.222    10.466    4.048    4.048
LGA    R    80_A      R    80_A     9.952     0    0.593   1.359    20.745    3.690    1.342
LGA    I    81_A      I    81_A     5.902     0    0.608   1.462     8.633   32.262   21.964
LGA    S    82_A      S    82_A     5.974     0    0.058   0.456     9.623   15.119   12.460
LGA    T    83_A      T    83_A     9.374     0    0.593   1.218    12.436    3.571    2.313
LGA    S    84_A      S    84_A    10.206     0    0.133   0.595    11.669    2.738    1.825
LGA    T    85_A      T    85_A    10.640     0    0.599   0.598    13.406    2.262    1.293
LGA    G    86_A      G    86_A     9.193     0    0.325   0.325     9.208    4.405    4.405
LGA    I    87_A      I    87_A     8.115     0    0.011   0.650    14.479   12.619    6.310
LGA    S    88_A      S    88_A     4.300     0    0.138   0.652     5.784   42.262   40.079
LGA    P    89_A      P    89_A     3.665     0    0.026   0.233     4.130   41.786   40.680
LGA    Q    90_A      Q    90_A     4.189     0    0.039   1.188    12.889   34.762   17.672
LGA    M    91_A      M    91_A     4.311     0    0.529   1.215     7.170   30.833   31.190
LGA    E    92_A      E    92_A     4.880     0    0.440   0.489     6.466   27.976   25.397
LGA    V    93_A      V    93_A     5.593     0    0.024   1.336     7.568   27.857   22.449
LGA    T    94_A      T    94_A     8.678     0    0.088   1.077    11.665    4.762    2.789
LGA    C    95_A      C    95_A    12.341     0    0.610   1.062    13.400    0.000    0.000
LGA    V    96_A      V    96_A    17.238     0    0.037   1.248    21.106    0.000    0.000
LGA    P    97_A      P    97_A    20.767     0    0.082   0.401    22.479    0.000    0.000
LGA    T    98_A      T    98_A    25.733     0    0.073   0.118    26.785    0.000    0.000
LGA    P    99_A      P    99_A    29.344     0    0.017   0.301    32.306    0.000    0.000
LGA    T   100_A      T   100_A    32.977     0    0.144   1.368    33.707    0.000    0.000
LGA    S   101_A      S   101_A    37.455     0    0.601   0.719    40.882    0.000    0.000
LGA    T   102_A      T   102_A    36.113     0    0.596   0.854    37.847    0.000    0.000
LGA    V   103_A      V   103_A    33.286     0    0.611   1.405    33.936    0.000    0.000
LGA    S   104_A      S   104_A    33.982     0    0.101   0.693    36.635    0.000    0.000
LGA    S   105_A      S   105_A    35.864     0    0.071   0.228    36.801    0.000    0.000
LGA    I   106_A      I   106_A    37.312     0    0.009   0.310    38.284    0.000    0.000
LGA    G   107_A      G   107_A    38.674     0    0.138   0.138    38.904    0.000    0.000
LGA    N   108_A      N   108_A    40.527     0    0.036   0.914    41.071    0.000    0.000
LGA    T   109_A      T   109_A    43.585     0    0.054   0.065    43.914    0.000    0.000
LGA    N   110_A      N   110_A    45.607     0    0.111   0.230    49.332    0.000    0.000
LGA    G   111_A      G   111_A    43.035     0    0.619   0.619    43.785    0.000    0.000
LGA    E   112_A      E   112_A    41.440     0    0.270   0.854    42.194    0.000    0.000
LGA    E   113_A      E   113_A    37.211     0    0.556   1.197    39.052    0.000    0.000
LGA    V   114_A      V   114_A    37.039     0    0.011   0.913    38.351    0.000    0.000
LGA    G   115_A      G   115_A    36.934     0    0.571   0.571    37.601    0.000    0.000
LGA    P   116_A      P   116_A    39.222     0    0.021   0.027    41.113    0.000    0.000
LGA    S   117_A      S   117_A    44.128     0    0.011   0.037    46.900    0.000    0.000
LGA    V   118_A      V   118_A    40.010     0    0.027   0.867    41.084    0.000    0.000
LGA    Y   119_A      Y   119_A    37.746     0    0.019   1.391    40.003    0.000    0.000
LGA    L   120_A      L   120_A    44.084     0    0.006   0.075    47.322    0.000    0.000
LGA    E   121_A      E   121_A    45.476     0    0.020   1.198    48.544    0.000    0.000
LGA    R   122_A      R   122_A    39.959     0    0.006   1.265    41.575    0.000    0.000
LGA    L   123_A      L   123_A    41.167     0    0.007   0.178    43.797    0.000    0.000
LGA    K   124_A      K   124_A    47.643     0    0.027   0.938    58.704    0.000    0.000
LGA    I   125_A      I   125_A    45.453     0    0.012   0.041    46.139    0.000    0.000
LGA    L   126_A      L   126_A    40.868     0    0.040   1.021    42.649    0.000    0.000
LGA    R   127_A      R   127_A    46.033     0    0.025   0.968    53.795    0.000    0.000
LGA    Q   128_A      Q   128_A    50.391     0    0.053   0.657    53.874    0.000    0.000
LGA    R   129_A      R   129_A    45.972     0    0.071   1.145    47.104    0.000    0.000
LGA    C   130_A      C   130_A    45.718     0    0.182   0.181    48.887    0.000    0.000
LGA    G   131_A      G   131_A    52.382     0    0.650   0.650    53.158    0.000    0.000
LGA    L   132_A      L   132_A    54.724     0    0.567   0.508    57.588    0.000    0.000
LGA    D   133_A      D   133_A    58.119     0    0.581   1.260    60.786    0.000    0.000
LGA    N   134_A      N   134_A    62.637     0    0.059   1.236    66.620    0.000    0.000
LGA    T   135_A      T   135_A    69.013     0    0.132   0.412    70.580    0.000    0.000
LGA    K   136_A      K   136_A    73.054     0    0.079   1.158    75.371    0.000    0.000
LGA    Q   137_A      Q   137_A    80.136     0    0.128   0.505    84.022    0.000    0.000
LGA    D   138_A      D   138_A    84.164     0    0.601   0.646    87.198    0.000    0.000
LGA    D   139_A      D   139_A    89.728     0    0.037   1.078    94.468    0.000    0.000
LGA    R   140_A      R   140_A    90.181     0    0.265   1.397    95.130    0.000    0.000
LGA    P   141_A      P   141_A    89.213     0    0.128   0.538    90.086    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):    21.896         21.676                 22.112           37.605   34.340

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  141  141    4.0     67    2.07    42.021    40.579     3.091

LGA_LOCAL      RMSD:   2.068  Number of atoms:   67  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  28.920  Number of assigned atoms:  141 
Std_ASGN_ATOMS RMSD:  21.896  Standard rmsd on all 141 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.095943 * X  +  -0.642354 * Y  +   0.760379 * Z  +  -3.173930
  Y_new =  -0.665038 * X  +  -0.609751 * Y  +  -0.431193 * Z  +  -2.475024
  Z_new =   0.740621 * X  +  -0.464311 * Y  +  -0.485691 * Z  +   0.454260 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.427518 -0.833994 -2.378696   [DEG:  -81.7907  -47.7843 -136.2892 ]
ZXZ:  1.054938  2.077950  2.130777   [DEG:   60.4435  119.0578  122.0845 ]
 
# END of job
