
#######################################################
#                                                     #
#                        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        4.91    33.73
  LONGEST_CONTINUOUS_SEGMENT:    95       2_A - 96_A        4.99    33.46
  LCS_AVERAGE:     52.63

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    62      14_A - 75_A        1.99    34.32
  LONGEST_CONTINUOUS_SEGMENT:    62      15_A - 76_A        1.96    34.25
  LCS_AVERAGE:     27.43

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    34      11_A - 44_A        0.99    34.02
  LCS_AVERAGE:     12.39

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   10   14   22   28   32   37   47   50   56   67   72   86   90   91 
LCS_GDT     S     2_A     S     2_A      4    5   95      3    4    4    4    4    6    8    9   16   20   39   51   58   64   73   77   80   84   86   91 
LCS_GDT     R     3_A     R     3_A      4   41   95      3    4    4    4    8   37   45   50   53   61   67   72   77   82   84   85   87   89   90   91 
LCS_GDT     I     4_A     I     4_A     19   43   95      3   14   23   30   40   45   49   53   58   67   69   74   79   82   84   86   88   89   90   91 
LCS_GDT     D     5_A     D     5_A     19   43   95      4   13   23   30   40   45   49   53   58   67   69   74   79   82   84   86   88   89   90   91 
LCS_GDT     E     6_A     E     6_A     19   43   95      7   15   23   32   40   45   49   53   58   67   69   74   79   82   84   86   88   89   90   91 
LCS_GDT     K     7_A     K     7_A     19   43   95      7   15   24   35   40   45   49   56   62   68   73   78   81   82   84   86   88   89   90   91 
LCS_GDT     S     8_A     S     8_A     19   43   95      7   17   32   37   42   48   57   63   68   73   77   79   81   82   84   86   88   89   90   91 
LCS_GDT     S     9_A     S     9_A     30   43   95      7   15   24   36   41   46   54   63   68   73   77   79   81   82   84   86   88   89   90   91 
LCS_GDT     K    10_A     K    10_A     33   44   95      7   19   32   38   43   51   60   63   70   74   77   79   81   82   84   86   88   89   90   91 
LCS_GDT     A    11_A     A    11_A     34   44   95      9   26   33   38   48   56   60   67   72   74   77   79   81   82   84   86   88   89   90   91 
LCS_GDT     K    12_A     K    12_A     34   44   95      9   29   34   41   53   59   65   68   72   74   77   79   81   82   84   86   88   89   90   91 
LCS_GDT     V    13_A     V    13_A     34   44   95      9   29   34   41   54   59   65   68   72   74   77   79   81   82   84   86   88   89   90   91 
LCS_GDT     N    14_A     N    14_A     34   62   95      9   29   34   41   54   59   65   68   72   74   77   79   81   82   84   86   88   89   90   91 
LCS_GDT     D    15_A     D    15_A     34   62   95     12   29   34   45   54   59   65   68   72   74   77   79   81   82   84   86   88   89   90   91 
LCS_GDT     F    16_A     F    16_A     34   62   95      9   29   36   50   55   59   65   68   72   74   77   79   81   82   84   86   88   89   90   91 
LCS_GDT     L    17_A     L    17_A     34   62   95     12   29   36   50   55   59   65   68   72   74   77   79   81   82   84   86   88   89   90   91 
LCS_GDT     A    18_A     A    18_A     34   62   95     10   29   35   50   55   59   65   68   72   74   77   79   81   82   84   86   88   89   90   91 
LCS_GDT     E    19_A     E    19_A     34   62   95     16   29   36   50   55   59   65   68   72   74   77   79   81   82   84   86   88   89   90   91 
LCS_GDT     I    20_A     I    20_A     34   62   95     16   29   36   50   55   59   65   68   72   74   77   79   81   82   84   86   88   89   90   91 
LCS_GDT     F    21_A     F    21_A     34   62   95     16   29   35   50   55   59   65   68   72   74   77   79   81   82   84   86   88   89   90   91 
LCS_GDT     K    22_A     K    22_A     34   62   95      9   29   35   50   55   59   65   68   72   74   77   79   81   82   84   86   88   89   90   91 
LCS_GDT     K    23_A     K    23_A     34   62   95     16   29   35   50   55   59   65   68   72   74   77   79   81   82   84   86   88   89   90   91 
LCS_GDT     I    24_A     I    24_A     34   62   95     16   29   35   50   55   59   65   68   72   74   77   79   81   82   84   86   88   89   90   91 
LCS_GDT     G    25_A     G    25_A     34   62   95     16   29   35   50   55   59   65   68   72   74   77   79   81   82   84   86   88   89   90   91 
LCS_GDT     S    26_A     S    26_A     34   62   95     16   29   35   50   55   59   65   68   72   74   77   79   81   82   84   86   88   89   90   91 
LCS_GDT     K    27_A     K    27_A     34   62   95     16   29   34   50   55   59   65   68   72   74   77   79   81   82   84   86   88   89   90   91 
LCS_GDT     E    28_A     E    28_A     34   62   95     16   29   35   50   55   59   65   68   72   74   77   79   81   82   84   86   88   89   90   91 
LCS_GDT     N    29_A     N    29_A     34   62   95     16   29   35   50   55   59   65   68   72   74   77   79   81   82   84   86   88   89   90   91 
LCS_GDT     T    30_A     T    30_A     34   62   95     16   29   35   50   55   59   65   68   72   74   77   79   81   82   84   86   88   89   90   91 
LCS_GDT     K    31_A     K    31_A     34   62   95     14   29   34   50   55   59   65   68   72   74   77   79   81   82   84   86   88   89   90   91 
LCS_GDT     E    32_A     E    32_A     34   62   95     14   29   35   50   55   59   65   68   72   74   77   79   81   82   84   86   88   89   90   91 
LCS_GDT     G    33_A     G    33_A     34   62   95     16   29   36   50   55   59   65   68   72   74   77   79   81   82   84   86   88   89   90   91 
LCS_GDT     L    34_A     L    34_A     34   62   95     16   29   36   50   55   59   65   68   72   74   77   79   81   82   84   86   88   89   90   91 
LCS_GDT     A    35_A     A    35_A     34   62   95     16   29   36   50   55   59   65   68   72   74   77   79   81   82   84   86   88   89   90   91 
LCS_GDT     E    36_A     E    36_A     34   62   95     16   29   36   50   55   59   65   68   72   74   77   79   81   82   84   86   88   89   90   91 
LCS_GDT     L    37_A     L    37_A     34   62   95     16   29   36   50   55   59   65   68   72   74   77   79   81   82   84   86   88   89   90   91 
LCS_GDT     Y    38_A     Y    38_A     34   62   95     16   29   36   50   55   59   65   68   72   74   77   79   81   82   84   86   88   89   90   91 
LCS_GDT     E    39_A     E    39_A     34   62   95     13   29   36   50   55   59   65   68   72   74   77   79   81   82   84   86   88   89   90   91 
LCS_GDT     Y    40_A     Y    40_A     34   62   95     12   29   36   50   55   59   65   68   72   74   77   79   81   82   84   86   88   89   90   91 
LCS_GDT     K    41_A     K    41_A     34   62   95     14   29   36   50   55   59   65   68   72   74   77   79   81   82   84   86   88   89   90   91 
LCS_GDT     K    42_A     K    42_A     34   62   95     13   26   36   50   55   59   65   68   72   74   77   79   81   82   84   86   88   89   90   91 
LCS_GDT     K    43_A     K    43_A     34   62   95     13   26   34   50   55   59   65   68   72   74   77   79   81   82   84   86   88   89   90   91 
LCS_GDT     Y    44_A     Y    44_A     34   62   95     11   24   34   45   55   59   65   68   72   74   77   79   81   82   84   86   88   89   90   91 
LCS_GDT     S    45_A     S    45_A     33   62   95      3   18   29   39   54   59   65   68   72   74   77   79   81   82   84   86   88   89   90   91 
LCS_GDT     D    46_A     D    46_A      4   62   95      3    4    4    6   13   24   36   48   59   68   74   79   81   82   84   86   88   89   90   91 
LCS_GDT     A    47_A     A    47_A      4   62   95      3    4    6   20   37   47   60   68   72   74   77   79   81   82   84   86   88   89   90   91 
LCS_GDT     D    48_A     D    48_A     21   62   95      9   24   36   50   55   59   65   68   72   74   77   79   81   82   84   86   88   89   90   91 
LCS_GDT     I    49_A     I    49_A     21   62   95     11   24   36   50   55   59   65   68   72   74   77   79   81   82   84   86   88   89   90   91 
LCS_GDT     E    50_A     E    50_A     21   62   95     12   24   36   50   55   59   65   68   72   74   77   79   81   82   84   86   88   89   90   91 
LCS_GDT     P    51_A     P    51_A     21   62   95     12   24   36   50   55   59   65   68   72   74   77   79   81   82   84   86   88   89   90   91 
LCS_GDT     F    52_A     F    52_A     21   62   95     12   24   36   50   55   59   65   68   72   74   77   79   81   82   84   86   88   89   90   91 
LCS_GDT     L    53_A     L    53_A     21   62   95     12   24   36   50   55   59   65   68   72   74   77   79   81   82   84   86   88   89   90   91 
LCS_GDT     K    54_A     K    54_A     21   62   95     11   24   36   50   55   59   65   68   72   74   77   79   81   82   84   86   88   89   90   91 
LCS_GDT     N    55_A     N    55_A     21   62   95      5   21   34   46   55   59   65   68   72   74   77   79   81   82   84   86   88   89   90   91 
LCS_GDT     S    56_A     S    56_A     21   62   95      6   17   34   46   55   59   65   68   72   74   77   79   81   82   84   86   88   89   90   91 
LCS_GDT     S    57_A     S    57_A     21   62   95      5   17   33   44   55   59   65   68   72   74   77   79   81   82   84   86   88   89   90   91 
LCS_GDT     Q    58_A     Q    58_A     21   62   95      5    9   31   42   53   59   64   68   72   74   77   79   81   82   84   86   88   89   90   91 
LCS_GDT     F    59_A     F    59_A     21   62   95      4   12   33   42   53   59   65   68   72   74   77   79   81   82   84   86   88   89   90   91 
LCS_GDT     F    60_A     F    60_A     21   62   95      4   19   36   50   55   59   65   68   72   74   77   79   81   82   84   86   88   89   90   91 
LCS_GDT     Q    61_A     Q    61_A     21   62   95     12   24   36   50   55   59   65   68   72   74   77   79   81   82   84   86   88   89   90   91 
LCS_GDT     S    62_A     S    62_A     21   62   95      8   22   36   50   55   59   65   68   72   74   77   79   81   82   84   86   88   89   90   91 
LCS_GDT     Y    63_A     Y    63_A     21   62   95      8   24   36   50   55   59   65   68   72   74   77   79   81   82   84   86   88   89   90   91 
LCS_GDT     V    64_A     V    64_A     21   62   95     12   24   36   50   55   59   65   68   72   74   77   79   81   82   84   86   88   89   90   91 
LCS_GDT     E    65_A     E    65_A     21   62   95      9   24   36   50   55   59   65   68   72   74   77   79   81   82   84   86   88   89   90   91 
LCS_GDT     R    66_A     R    66_A     21   62   95      8   24   36   50   55   59   65   68   72   74   77   79   81   82   84   86   88   89   90   91 
LCS_GDT     G    67_A     G    67_A     21   62   95      8   24   36   50   55   59   65   68   72   74   77   79   81   82   84   86   88   89   90   91 
LCS_GDT     L    68_A     L    68_A     21   62   95     16   29   36   50   55   59   65   68   72   74   77   79   81   82   84   86   88   89   90   91 
LCS_GDT     R    69_A     R    69_A     19   62   95     16   29   36   50   55   59   65   68   72   74   77   79   81   82   84   86   88   89   90   91 
LCS_GDT     V    70_A     V    70_A     19   62   95     11   29   36   50   55   59   65   68   72   74   77   79   81   82   84   86   88   89   90   91 
LCS_GDT     I    71_A     I    71_A     19   62   95     12   24   36   50   55   59   65   68   72   74   77   79   81   82   84   86   88   89   90   91 
LCS_GDT     E    72_A     E    72_A     19   62   95      6   23   36   50   55   59   65   68   72   74   77   79   81   82   84   86   88   89   90   91 
LCS_GDT     M    73_A     M    73_A     19   62   95      6   21   36   50   55   59   65   68   72   74   77   79   81   82   84   86   88   89   90   91 
LCS_GDT     E    74_A     E    74_A     18   62   95      7   20   36   50   55   59   65   68   72   74   77   79   81   82   84   86   88   89   90   91 
LCS_GDT     R    75_A     R    75_A     18   62   95      7   20   36   50   55   59   65   68   72   74   77   79   81   82   84   86   88   89   90   91 
LCS_GDT     E    76_A     E    76_A     18   62   95      3   12   27   41   53   59   65   68   72   74   77   79   81   82   84   86   88   89   90   91 
LCS_GDT     G    77_A     G    77_A     12   51   95      3    6   14   27   39   53   62   68   72   74   77   79   81   82   84   86   88   89   90   91 
LCS_GDT     K    78_A     K    78_A      4   51   95      3   17   26   36   46   59   63   68   72   74   77   79   81   82   84   86   88   89   90   91 
LCS_GDT     G    79_A     G    79_A      4   49   95      4    9   18   32   42   49   58   64   67   71   73   76   78   81   83   86   88   89   90   91 
LCS_GDT     R    80_A     R    80_A      4   34   95      3    4    4    6   11   15   52   60   65   69   73   76   78   81   83   86   88   89   90   91 
LCS_GDT     I    81_A     I    81_A      3   34   95      3    3    4    4   44   59   65   68   72   74   77   79   81   82   84   86   88   89   90   91 
LCS_GDT     S    82_A     S    82_A      3    6   95      3    3   12   46   55   59   65   68   72   74   77   79   81   82   84   86   88   89   90   91 
LCS_GDT     T    83_A     T    83_A      3    6   95      3    3    4    4    5    7   19   48   62   69   74   79   80   82   84   86   88   89   90   91 
LCS_GDT     S    84_A     S    84_A      3    6   95      3    3    4    4    6    8   11   12   21   49   66   72   77   82   84   85   88   89   90   91 
LCS_GDT     T    85_A     T    85_A      5    8   95      3    5    6    6    8    9   42   47   52   57   67   72   76   79   82   85   86   87   90   91 
LCS_GDT     G    86_A     G    86_A      5    8   95      3    5   22   29   37   43   48   50   59   62   69   72   77   81   84   85   86   87   90   91 
LCS_GDT     I    87_A     I    87_A      5    8   95      3   13   22   33   40   44   48   56   62   65   69   74   79   82   84   85   88   89   90   91 
LCS_GDT     S    88_A     S    88_A      5    8   95      3    5    6   36   42   51   58   61   66   72   74   77   80   82   84   86   88   89   90   91 
LCS_GDT     P    89_A     P    89_A      5    8   95      2    5    6    6    8    8    9   61   68   72   77   79   81   82   84   86   88   89   90   91 
LCS_GDT     Q    90_A     Q    90_A      4    8   95      2    4    4    6    8   46   60   65   71   74   77   79   81   82   84   86   88   89   90   91 
LCS_GDT     M    91_A     M    91_A      4    8   95      2    4    5    6    8   22   65   68   72   74   77   79   81   82   84   86   88   89   90   91 
LCS_GDT     E    92_A     E    92_A      5    8   95      2    3    5    6   35   58   65   68   72   74   77   79   81   82   84   86   88   89   90   91 
LCS_GDT     V    93_A     V    93_A      5    6   95      2    3    5    6    6    8   55   68   72   74   77   79   81   82   84   86   88   89   90   91 
LCS_GDT     T    94_A     T    94_A      5    6   95      2    3    5    5   30   38   49   64   68   72   76   79   81   82   84   86   88   88   90   91 
LCS_GDT     C    95_A     C    95_A      5    8   95      3    4    9   25   36   45   52   64   68   72   76   79   81   82   84   86   88   88   90   91 
LCS_GDT     V    96_A     V    96_A      5    8   95      3    4    5    6    7    8    8   14   40   53   66   71   74   75   79   83   87   87   89   90 
LCS_GDT     P    97_A     P    97_A      5    8   92      3    4    5    6    7    8    8    9   11   12   13   14   15   17   18   69   75   77   82   84 
LCS_GDT     T    98_A     T    98_A      5    8   15      3    4    5    6    7    8    8    9   11   12   13   14   18   22   26   61   64   70   73   73 
LCS_GDT     P    99_A     P    99_A      5    8   15      3    4    5    6    7    8    8    9   11   12   13   14   15   17   18   21   25   28   44   48 
LCS_GDT     T   100_A     T   100_A      3    8   15      3    4    4    6    7    8    8    9   11   12   13   14   15   17   18   23   25   31   36   38 
LCS_GDT     S   101_A     S   101_A      3    8   15      3    3    4    6    7    8    8    9   11   12   13   14   15   17   18   23   25   29   32   36 
LCS_GDT     T   102_A     T   102_A      3    9   16      3    3    4    6    7    8   10   10   11   12   14   14   15   17   18   20   23   26   31   33 
LCS_GDT     V   103_A     V   103_A      5    9   16      2    3    5    7    8    9   11   11   13   13   14   14   15   16   18   19   19   20   23   27 
LCS_GDT     S   104_A     S   104_A      5    9   16      2    4    5    7    8    9   11   11   13   13   14   14   15   16   18   19   20   20   23   27 
LCS_GDT     S   105_A     S   105_A      5   10   16      3    5    7    8   10   10   11   11   13   13   14   14   15   16   18   19   20   20   24   28 
LCS_GDT     I   106_A     I   106_A      5   10   16      3    5    7    8   10   10   11   11   13   13   14   14   15   17   18   20   23   26   31   33 
LCS_GDT     G   107_A     G   107_A      6   10   25      4    5    7    8   10   10   11   11   13   13   14   14   16   23   29   31   34   36   38   40 
LCS_GDT     N   108_A     N   108_A      6   10   32      4    5    7    8   10   10   11   11   14   15   19   22   30   30   31   32   34   36   38   40 
LCS_GDT     T   109_A     T   109_A      6   10   32      4    5    7   10   12   14   16   18   23   25   28   29   30   30   31   32   34   36   38   40 
LCS_GDT     N   110_A     N   110_A      6   10   32      4    5    7    8   11   14   16   19   21   22   22   22   24   24   27   29   31   34   36   38 
LCS_GDT     G   111_A     G   111_A      6   10   32      3    5    7    8   10   10   11   11   18   21   22   22   22   23   26   28   30   32   36   38 
LCS_GDT     E   112_A     E   112_A      6   10   32      3    5    7    8   10   10   11   18   21   22   22   24   29   30   31   31   32   36   38   40 
LCS_GDT     E   113_A     E   113_A      4   10   32      3    4    4    6   11   14   16   19   22   25   28   29   30   30   31   31   32   36   38   40 
LCS_GDT     V   114_A     V   114_A      4   20   32      3    4    7    9   12   14   19   25   26   27   28   29   30   30   31   32   34   36   38   40 
LCS_GDT     G   115_A     G   115_A     17   23   32      8   15   18   20   20   22   24   25   26   27   28   29   30   30   31   32   34   36   38   40 
LCS_GDT     P   116_A     P   116_A     17   23   32      8   15   18   20   20   22   24   25   26   27   28   29   30   30   31   32   34   36   38   40 
LCS_GDT     S   117_A     S   117_A     17   23   32      8   15   18   20   20   22   24   25   26   27   28   29   30   30   31   32   34   36   38   40 
LCS_GDT     V   118_A     V   118_A     17   23   32      8   15   18   20   20   22   24   25   26   27   28   29   30   30   31   32   34   36   38   40 
LCS_GDT     Y   119_A     Y   119_A     17   23   32      8   15   18   20   20   22   24   25   26   27   28   29   30   30   31   32   34   36   38   40 
LCS_GDT     L   120_A     L   120_A     17   23   32      8   15   18   20   20   22   24   25   26   27   28   29   30   30   31   32   34   36   38   40 
LCS_GDT     E   121_A     E   121_A     17   23   32      8   15   18   20   20   22   24   25   26   27   28   29   30   30   31   32   34   36   38   40 
LCS_GDT     R   122_A     R   122_A     17   23   32      8   15   18   20   20   22   24   25   26   27   28   29   30   30   31   32   34   36   38   40 
LCS_GDT     L   123_A     L   123_A     17   23   32      8   15   18   20   20   22   24   25   26   27   28   29   30   30   31   32   34   36   38   40 
LCS_GDT     K   124_A     K   124_A     17   23   32      8   15   18   20   20   22   24   25   26   27   28   29   30   30   31   32   34   36   38   40 
LCS_GDT     I   125_A     I   125_A     17   23   32      8   15   18   20   20   22   24   25   26   27   28   29   30   30   31   32   34   36   38   40 
LCS_GDT     L   126_A     L   126_A     17   23   32      8   15   18   20   20   22   24   25   26   27   28   29   30   30   31   32   34   36   38   40 
LCS_GDT     R   127_A     R   127_A     17   23   32      8   15   18   20   20   22   24   25   26   27   28   29   30   30   31   32   34   36   38   40 
LCS_GDT     Q   128_A     Q   128_A     17   23   32      8   15   18   20   20   22   24   25   26   27   28   29   30   30   31   32   34   36   38   40 
LCS_GDT     R   129_A     R   129_A     17   23   32      7   15   18   20   20   22   24   25   26   27   28   29   30   30   31   31   32   36   38   40 
LCS_GDT     C   130_A     C   130_A     17   23   32      8   15   18   20   20   22   24   25   26   27   28   29   30   30   31   31   32   34   38   40 
LCS_GDT     G   131_A     G   131_A     17   23   32      7   14   18   20   20   22   24   25   26   27   28   29   30   30   31   31   34   36   38   40 
LCS_GDT     L   132_A     L   132_A      3   23   32      3    3    4   12   20   21   24   25   26   27   28   29   30   30   31   32   34   36   38   40 
LCS_GDT     D   133_A     D   133_A      3   23   32      3    3   17   20   20   22   24   25   26   27   28   29   30   30   31   32   34   36   38   40 
LCS_GDT     N   134_A     N   134_A      4   23   32      3    4   10   17   20   21   24   24   26   27   28   29   30   30   31   32   34   36   38   40 
LCS_GDT     T   135_A     T   135_A      4   23   32      3    4   17   20   20   22   24   25   26   27   28   29   30   30   31   32   34   36   38   40 
LCS_GDT     K   136_A     K   136_A      4   23   32      2    4    5    7   15   22   24   25   26   27   28   29   30   30   31   32   34   36   38   40 
LCS_GDT     Q   137_A     Q   137_A      4   23   32      0    4    4    6   18   22   24   25   26   27   28   29   30   30   31   32   34   36   38   40 
LCS_GDT     D   138_A     D   138_A      4    8   32      3    4    5    6   15   20   22   25   26   27   28   29   30   30   31   32   34   36   38   40 
LCS_GDT     D   139_A     D   139_A      4    8   32      3    4    5    5   11   15   22   25   26   27   28   29   30   30   31   32   34   36   38   40 
LCS_GDT     R   140_A     R   140_A      4    8   32      3   12   18   20   20   22   24   25   26   27   28   29   30   30   31   32   34   36   38   40 
LCS_GDT     P   141_A     P   141_A      3    3   31      3    3    3    3    3    4    4    4    5    5    5   25   27   28   30   31   32   36   37   40 
LCS_AVERAGE  LCS_A:  30.82  (  12.39   27.43   52.63 )

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     16     29     36     50     55     59     65     68     72     74     77     79     81     82     84     86     88     89     90     91 
GDT PERCENT_AT  11.35  20.57  25.53  35.46  39.01  41.84  46.10  48.23  51.06  52.48  54.61  56.03  57.45  58.16  59.57  60.99  62.41  63.12  63.83  64.54
GDT RMS_LOCAL    0.27   0.58   0.98   1.32   1.46   1.64   1.94   2.08   2.32   2.47   2.74   2.89   3.19   3.48   3.55   3.62   3.85   4.02   4.11   4.24
GDT RMS_ALL_AT  34.47  34.45  33.82  34.36  34.53  34.56  34.01  33.96  33.73  33.72  33.70  33.78  33.28  34.16  33.27  33.40  33.35  33.92  33.45  33.54

# 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:  F    52_A      F    52_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:  Y   119_A      Y   119_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    A     1_A      A     1_A    17.010     0    0.191   0.226    19.461    0.000    0.000
LGA    S     2_A      S     2_A    18.288     0    0.647   0.805    22.149    0.000    0.000
LGA    R     3_A      R     3_A    14.207     0    0.138   1.129    19.899    0.000    0.000
LGA    I     4_A      I     4_A    12.929     0    0.116   0.604    18.054    0.000    0.000
LGA    D     5_A      D     5_A    12.457     0    0.029   0.742    13.075    0.000    0.000
LGA    E     6_A      E     6_A    11.526     0    0.032   0.613    13.984    0.119    0.053
LGA    K     7_A      K     7_A    10.166     0    0.046   0.536    15.299    1.548    0.688
LGA    S     8_A      S     8_A     8.112     0    0.014   0.641     9.102    6.667    5.714
LGA    S     9_A      S     9_A     7.900     0    0.060   0.805     9.311    9.762    6.984
LGA    K    10_A      K    10_A     6.652     0    0.099   0.617    10.141   16.548   10.106
LGA    A    11_A      A    11_A     5.422     0    0.036   0.042     5.983   29.048   28.476
LGA    K    12_A      K    12_A     4.158     0    0.022   0.068     5.807   40.476   33.810
LGA    V    13_A      V    13_A     3.733     0    0.034   0.870     5.483   46.905   40.340
LGA    N    14_A      N    14_A     3.663     0    0.027   0.934     5.384   48.452   40.000
LGA    D    15_A      D    15_A     2.778     0    0.017   0.969     4.889   61.190   51.726
LGA    F    16_A      F    16_A     1.472     0    0.019   0.092     1.968   81.548   76.017
LGA    L    17_A      L    17_A     1.493     0    0.020   1.382     2.914   75.000   72.024
LGA    A    18_A      A    18_A     2.014     0    0.019   0.020     2.279   70.833   69.619
LGA    E    19_A      E    19_A     1.339     0    0.012   0.870     2.161   81.429   77.725
LGA    I    20_A      I    20_A     0.791     0    0.012   0.036     1.227   85.952   91.786
LGA    F    21_A      F    21_A     1.627     0    0.039   0.137     2.331   70.952   74.502
LGA    K    22_A      K    22_A     2.462     0    0.015   0.527     4.011   62.857   54.339
LGA    K    23_A      K    23_A     2.077     0    0.012   0.852     2.805   64.762   68.519
LGA    I    24_A      I    24_A     1.646     0    0.053   0.064     2.117   70.833   77.262
LGA    G    25_A      G    25_A     2.181     0    0.167   0.167     3.227   61.190   61.190
LGA    S    26_A      S    26_A     2.377     0    0.104   0.159     2.788   64.762   63.492
LGA    K    27_A      K    27_A     2.808     0    0.040   1.039     8.029   57.143   38.095
LGA    E    28_A      E    28_A     2.577     0    0.077   0.669     5.258   60.952   50.159
LGA    N    29_A      N    29_A     1.696     0    0.025   0.134     2.020   72.976   77.202
LGA    T    30_A      T    30_A     2.230     0    0.024   0.776     4.558   64.762   56.803
LGA    K    31_A      K    31_A     2.456     0    0.021   1.096     9.133   64.762   41.905
LGA    E    32_A      E    32_A     1.470     0    0.023   1.097     4.231   79.286   69.206
LGA    G    33_A      G    33_A     0.822     0    0.005   0.005     1.025   88.214   88.214
LGA    L    34_A      L    34_A     0.989     0    0.010   0.097     1.557   90.476   84.881
LGA    A    35_A      A    35_A     0.993     0    0.016   0.018     1.132   88.214   86.857
LGA    E    36_A      E    36_A     0.778     0    0.006   0.087     1.719   90.476   85.503
LGA    L    37_A      L    37_A     0.336     0    0.025   0.098     0.506   97.619   98.810
LGA    Y    38_A      Y    38_A     0.365     0    0.010   0.109     0.772   97.619   96.032
LGA    E    39_A      E    39_A     0.549     0    0.036   0.863     2.918   92.857   82.169
LGA    Y    40_A      Y    40_A     0.706     0    0.012   0.126     1.839   90.476   84.563
LGA    K    41_A      K    41_A     0.772     0    0.022   0.481     1.344   88.214   86.455
LGA    K    42_A      K    42_A     1.112     0    0.012   0.663     2.834   81.548   83.862
LGA    K    43_A      K    43_A     1.791     0    0.021   0.948     3.563   69.048   63.545
LGA    Y    44_A      Y    44_A     2.565     0    0.368   0.382     3.758   59.048   53.730
LGA    S    45_A      S    45_A     3.148     0    0.333   0.527     4.048   46.905   48.016
LGA    D    46_A      D    46_A     6.417     0    0.542   1.245    11.455   27.976   14.167
LGA    A    47_A      A    47_A     4.906     0    0.534   0.569     5.850   39.524   35.905
LGA    D    48_A      D    48_A     1.033     0    0.619   1.368     6.266   83.810   58.155
LGA    I    49_A      I    49_A     0.659     0    0.145   1.178     2.528   88.214   78.988
LGA    E    50_A      E    50_A     0.986     0    0.066   1.303     3.869   83.690   74.497
LGA    P    51_A      P    51_A     1.610     0    0.038   0.050     1.728   75.000   74.082
LGA    F    52_A      F    52_A     1.593     0    0.053   1.492     5.267   72.857   65.974
LGA    L    53_A      L    53_A     1.001     0    0.075   0.580     2.456   83.690   82.738
LGA    K    54_A      K    54_A     0.831     0    0.017   0.600     2.822   83.810   84.868
LGA    N    55_A      N    55_A     2.422     0    0.194   0.195     3.124   64.881   59.226
LGA    S    56_A      S    56_A     2.368     0    0.032   0.689     2.575   60.952   65.000
LGA    S    57_A      S    57_A     2.750     0    0.035   0.708     4.864   57.143   52.857
LGA    Q    58_A      Q    58_A     3.447     0    0.036   1.192     9.521   50.000   29.894
LGA    F    59_A      F    59_A     3.126     0    0.022   0.087     4.554   53.571   46.061
LGA    F    60_A      F    60_A     1.336     0    0.125   0.252     1.907   79.286   82.381
LGA    Q    61_A      Q    61_A     1.192     0    0.057   0.962     5.033   81.429   64.233
LGA    S    62_A      S    62_A     1.819     0    0.018   0.043     2.325   72.857   70.159
LGA    Y    63_A      Y    63_A     1.405     0    0.025   0.175     2.621   81.429   72.460
LGA    V    64_A      V    64_A     0.345     0    0.028   1.072     2.182   95.238   87.211
LGA    E    65_A      E    65_A     1.249     0    0.029   0.905     5.516   83.690   62.487
LGA    R    66_A      R    66_A     1.487     0    0.028   0.973     5.169   81.429   69.004
LGA    G    67_A      G    67_A     0.910     0    0.060   0.060     1.027   88.214   88.214
LGA    L    68_A      L    68_A     0.158     0    0.018   0.080     0.696   97.619   97.619
LGA    R    69_A      R    69_A     1.090     0    0.009   1.305     6.678   85.952   65.584
LGA    V    70_A      V    70_A     0.576     0    0.070   1.111     3.130   92.857   83.537
LGA    I    71_A      I    71_A     0.664     0    0.019   0.643     2.185   88.333   85.060
LGA    E    72_A      E    72_A     1.583     0    0.005   0.271     2.754   72.976   68.466
LGA    M    73_A      M    73_A     1.494     0    0.015   0.979     2.507   77.143   74.167
LGA    E    74_A      E    74_A     1.410     0    0.013   0.239     1.563   79.286   80.476
LGA    R    75_A      R    75_A     1.346     0    0.031   1.172     3.673   75.119   74.632
LGA    E    76_A      E    76_A     2.842     0    0.152   0.745     5.334   49.167   43.386
LGA    G    77_A      G    77_A     4.794     0    0.601   0.601     4.794   40.357   40.357
LGA    K    78_A      K    78_A     4.389     0    0.457   1.067     8.491   43.690   25.132
LGA    G    79_A      G    79_A     6.222     0    0.621   0.621     7.026   17.619   17.619
LGA    R    80_A      R    80_A     6.625     0    0.592   1.313    17.405   20.595    7.749
LGA    I    81_A      I    81_A     3.470     0    0.615   1.449     8.988   59.643   35.774
LGA    S    82_A      S    82_A     3.359     0    0.057   0.542     6.197   56.190   45.556
LGA    T    83_A      T    83_A     6.540     0    0.593   1.178     9.076   12.024   10.884
LGA    S    84_A      S    84_A     9.937     0    0.111   0.563    10.263    2.619    1.984
LGA    T    85_A      T    85_A    14.346     0    0.599   0.606    17.518    0.000    0.000
LGA    G    86_A      G    86_A    14.927     0    0.331   0.331    14.927    0.000    0.000
LGA    I    87_A      I    87_A    12.680     0    0.013   0.938    16.579    1.190    0.595
LGA    S    88_A      S    88_A     9.699     0    0.032   0.413    13.316    3.095    2.063
LGA    P    89_A      P    89_A     6.663     0    0.131   0.409     6.873   19.881   17.619
LGA    Q    90_A      Q    90_A     5.721     0    0.031   1.196    12.886   32.381   15.344
LGA    M    91_A      M    91_A     3.580     0    0.531   0.852     4.904   46.667   41.369
LGA    E    92_A      E    92_A     3.219     0    0.437   0.577     4.331   45.119   51.852
LGA    V    93_A      V    93_A     5.161     0    0.016   1.319     6.404   29.286   27.415
LGA    T    94_A      T    94_A     9.390     0    0.098   1.100    12.990    6.071    3.469
LGA    C    95_A      C    95_A    10.873     0    0.609   0.999    12.463    0.000    0.238
LGA    V    96_A      V    96_A    16.798     0    0.016   1.236    21.206    0.000    0.000
LGA    P    97_A      P    97_A    20.602     0    0.029   0.385    22.826    0.000    0.000
LGA    T    98_A      T    98_A    27.310     0    0.097   0.163    29.018    0.000    0.000
LGA    P    99_A      P    99_A    32.882     0    0.091   0.310    35.290    0.000    0.000
LGA    T   100_A      T   100_A    37.661     0    0.160   0.934    39.013    0.000    0.000
LGA    S   101_A      S   101_A    42.910     0    0.601   0.774    44.893    0.000    0.000
LGA    T   102_A      T   102_A    43.392     0    0.596   0.849    45.922    0.000    0.000
LGA    V   103_A      V   103_A    42.064     0    0.610   1.498    42.398    0.000    0.000
LGA    S   104_A      S   104_A    45.114     0    0.083   0.691    48.933    0.000    0.000
LGA    S   105_A      S   105_A    47.421     0    0.045   0.123    47.965    0.000    0.000
LGA    I   106_A      I   106_A    50.896     0    0.006   0.102    56.631    0.000    0.000
LGA    G   107_A      G   107_A    50.168     0    0.173   0.173    50.783    0.000    0.000
LGA    N   108_A      N   108_A    53.149     0    0.008   0.700    56.475    0.000    0.000
LGA    T   109_A      T   109_A    51.971     0    0.047   0.067    52.184    0.000    0.000
LGA    N   110_A      N   110_A    53.457     0    0.278   0.287    57.342    0.000    0.000
LGA    G   111_A      G   111_A    50.182     0    0.150   0.150    51.246    0.000    0.000
LGA    E   112_A      E   112_A    44.608     0    0.359   0.910    46.728    0.000    0.000
LGA    E   113_A      E   113_A    40.023     0    0.402   0.857    41.917    0.000    0.000
LGA    V   114_A      V   114_A    41.488     0    0.014   0.824    45.855    0.000    0.000
LGA    G   115_A      G   115_A    36.875     0    0.572   0.572    39.405    0.000    0.000
LGA    P   116_A      P   116_A    39.702     0    0.024   0.027    43.023    0.000    0.000
LGA    S   117_A      S   117_A    44.342     0    0.009   0.609    46.831    0.000    0.000
LGA    V   118_A      V   118_A    44.353     0    0.027   0.884    46.550    0.000    0.000
LGA    Y   119_A      Y   119_A    44.125     0    0.009   0.168    47.655    0.000    0.000
LGA    L   120_A      L   120_A    48.783     0    0.011   0.086    52.278    0.000    0.000
LGA    E   121_A      E   121_A    52.023     0    0.019   0.912    54.193    0.000    0.000
LGA    R   122_A      R   122_A    50.611     0    0.012   1.271    52.924    0.000    0.000
LGA    L   123_A      L   123_A    51.322     0    0.010   1.406    55.147    0.000    0.000
LGA    K   124_A      K   124_A    57.246     0    0.027   0.938    64.082    0.000    0.000
LGA    I   125_A      I   125_A    58.954     0    0.011   0.046    60.668    0.000    0.000
LGA    L   126_A      L   126_A    56.808     0    0.038   0.914    59.846    0.000    0.000
LGA    R   127_A      R   127_A    60.300     0    0.029   0.983    64.520    0.000    0.000
LGA    Q   128_A      Q   128_A    66.143     0    0.049   0.799    69.117    0.000    0.000
LGA    R   129_A      R   129_A    66.164     0    0.069   1.101    68.529    0.000    0.000
LGA    C   130_A      C   130_A    66.150     0    0.186   0.187    69.007    0.000    0.000
LGA    G   131_A      G   131_A    71.301     0    0.644   0.644    71.301    0.000    0.000
LGA    L   132_A      L   132_A    69.845     0    0.556   0.541    70.554    0.000    0.000
LGA    D   133_A      D   133_A    70.702     0    0.566   1.268    73.601    0.000    0.000
LGA    N   134_A      N   134_A    73.140     0    0.182   1.082    75.388    0.000    0.000
LGA    T   135_A      T   135_A    77.879     0    0.136   0.255    80.677    0.000    0.000
LGA    K   136_A      K   136_A    84.260     0    0.103   1.146    89.993    0.000    0.000
LGA    Q   137_A      Q   137_A    88.776     0    0.077   0.412    93.700    0.000    0.000
LGA    D   138_A      D   138_A    92.080     0    0.596   0.991    93.920    0.000    0.000
LGA    D   139_A      D   139_A    97.508     0    0.023   1.162   102.059    0.000    0.000
LGA    R   140_A      R   140_A    97.977     0    0.286   1.512   100.217    0.000    0.000
LGA    P   141_A      P   141_A    98.009     0    0.183   0.442    99.086    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):    24.883         24.737                 25.136           37.411   34.162

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  141  141    4.0     68    2.08    41.312    39.388     3.124

LGA_LOCAL      RMSD:   2.077  Number of atoms:   68  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  33.962  Number of assigned atoms:  141 
Std_ASGN_ATOMS RMSD:  24.883  Standard rmsd on all 141 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.312625 * X  +   0.908891 * Y  +  -0.276013 * Z  +  -0.290200
  Y_new =   0.773001 * X  +   0.412305 * Y  +   0.482155 * Z  +  -5.219789
  Z_new =   0.552028 * X  +  -0.062625 * Y  +  -0.831471 * Z  +   2.640916 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.955116 -0.584794 -3.066416   [DEG:  112.0199  -33.5062 -175.6927 ]
ZXZ: -2.621671  2.552546  1.683759   [DEG: -150.2107  146.2501   96.4723 ]
 
# END of job
