
#######################################################
#                                                     #
#                        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        4.82    30.79
  LONGEST_CONTINUOUS_SEGMENT:    93       3_A - 95_A        4.86    30.57
  LCS_AVERAGE:     50.73

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    66      12_A - 77_A        1.95    30.51
  LONGEST_CONTINUOUS_SEGMENT:    66      13_A - 78_A        1.95    30.66
  LCS_AVERAGE:     28.96

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    35      10_A - 44_A        0.98    30.49
  LONGEST_CONTINUOUS_SEGMENT:    35      11_A - 45_A        0.94    30.43
  LCS_AVERAGE:     12.58

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      3    3    3    3    4    6    6   10   13   16   19   25   32   35   45   63   68   75   84   86 
LCS_GDT     S     2_A     S     2_A      4    5   93      3    4    4    4    4    6    8   10   14   21   28   39   53   61   63   77   79   82   85   88 
LCS_GDT     R     3_A     R     3_A      4   33   93      3    4    4    4    9   19   32   47   50   55   59   65   70   80   82   83   87   89   90   90 
LCS_GDT     I     4_A     I     4_A     17   41   93      3   13   18   27   32   42   48   51   59   64   68   72   79   82   83   85   88   89   90   90 
LCS_GDT     D     5_A     D     5_A     17   41   93      5   11   16   23   36   42   48   51   59   64   68   77   79   82   83   85   88   89   90   90 
LCS_GDT     E     6_A     E     6_A     17   42   93      5   13   18   27   39   42   48   51   59   64   70   77   79   82   83   85   88   89   90   90 
LCS_GDT     K     7_A     K     7_A     17   44   93      5   13   19   33   39   45   48   55   64   68   73   77   79   82   83   85   88   89   90   90 
LCS_GDT     S     8_A     S     8_A     18   45   93      5   14   28   37   42   53   58   64   67   71   73   77   79   82   83   85   88   89   90   90 
LCS_GDT     S     9_A     S     9_A     18   45   93      5   13   21   36   41   53   61   64   68   71   74   77   79   82   83   85   88   89   90   90 
LCS_GDT     K    10_A     K    10_A     35   46   93      7   20   32   38   48   55   61   65   69   71   74   77   79   82   83   85   88   89   90   90 
LCS_GDT     A    11_A     A    11_A     35   65   93      8   25   33   42   51   59   62   67   69   71   74   77   79   82   83   85   88   89   90   90 
LCS_GDT     K    12_A     K    12_A     35   66   93      8   25   36   47   56   61   64   67   69   71   74   77   79   82   83   85   88   89   90   90 
LCS_GDT     V    13_A     V    13_A     35   66   93     10   28   36   50   57   61   64   67   69   71   74   77   79   82   83   85   88   89   90   90 
LCS_GDT     N    14_A     N    14_A     35   66   93     12   28   36   50   57   61   64   67   69   71   74   77   79   82   83   85   88   89   90   90 
LCS_GDT     D    15_A     D    15_A     35   66   93     12   29   36   53   57   62   64   67   69   71   74   77   79   82   83   85   88   89   90   90 
LCS_GDT     F    16_A     F    16_A     35   66   93      8   29   38   53   57   62   64   67   69   71   74   77   79   82   83   85   88   89   90   90 
LCS_GDT     L    17_A     L    17_A     35   66   93     22   30   39   53   57   62   64   67   69   71   74   77   79   82   83   85   88   89   90   90 
LCS_GDT     A    18_A     A    18_A     35   66   93     22   30   39   53   57   62   64   67   69   71   74   77   79   82   83   85   88   89   90   90 
LCS_GDT     E    19_A     E    19_A     35   66   93     23   30   39   53   57   62   64   67   69   71   74   77   79   82   83   85   88   89   90   90 
LCS_GDT     I    20_A     I    20_A     35   66   93     23   30   39   53   57   62   64   67   69   71   74   77   79   82   83   85   88   89   90   90 
LCS_GDT     F    21_A     F    21_A     35   66   93     23   30   39   53   57   62   64   67   69   71   74   77   79   82   83   85   88   89   90   90 
LCS_GDT     K    22_A     K    22_A     35   66   93     23   30   39   53   57   62   64   67   69   71   74   77   79   82   83   85   88   89   90   90 
LCS_GDT     K    23_A     K    23_A     35   66   93     23   30   39   53   57   62   64   67   69   71   74   77   79   82   83   85   88   89   90   90 
LCS_GDT     I    24_A     I    24_A     35   66   93     23   30   39   53   57   62   64   67   69   71   74   77   79   82   83   85   88   89   90   90 
LCS_GDT     G    25_A     G    25_A     35   66   93     23   30   39   53   57   62   64   67   69   71   74   77   79   82   83   85   88   89   90   90 
LCS_GDT     S    26_A     S    26_A     35   66   93     23   30   39   53   57   62   64   67   69   71   74   77   79   82   83   85   88   89   90   90 
LCS_GDT     K    27_A     K    27_A     35   66   93     23   30   39   53   57   62   64   67   69   71   74   77   79   82   83   85   88   89   90   90 
LCS_GDT     E    28_A     E    28_A     35   66   93     23   30   39   53   57   62   64   67   69   71   74   77   79   82   83   85   88   89   90   90 
LCS_GDT     N    29_A     N    29_A     35   66   93     23   30   39   53   57   62   64   67   69   71   74   77   79   82   83   85   88   89   90   90 
LCS_GDT     T    30_A     T    30_A     35   66   93     23   30   39   53   57   62   64   67   69   71   74   77   79   82   83   85   88   89   90   90 
LCS_GDT     K    31_A     K    31_A     35   66   93     17   30   39   53   57   62   64   67   69   71   74   77   79   82   83   85   88   89   90   90 
LCS_GDT     E    32_A     E    32_A     35   66   93     20   30   39   53   57   62   64   67   69   71   74   77   79   82   83   85   88   89   90   90 
LCS_GDT     G    33_A     G    33_A     35   66   93     23   30   39   53   57   62   64   67   69   71   74   77   79   82   83   85   88   89   90   90 
LCS_GDT     L    34_A     L    34_A     35   66   93     23   30   39   53   57   62   64   67   69   71   74   77   79   82   83   85   88   89   90   90 
LCS_GDT     A    35_A     A    35_A     35   66   93     23   30   39   53   57   62   64   67   69   71   74   77   79   82   83   85   88   89   90   90 
LCS_GDT     E    36_A     E    36_A     35   66   93     23   30   39   53   57   62   64   67   69   71   74   77   79   82   83   85   88   89   90   90 
LCS_GDT     L    37_A     L    37_A     35   66   93     23   30   39   53   57   62   64   67   69   71   74   77   79   82   83   85   88   89   90   90 
LCS_GDT     Y    38_A     Y    38_A     35   66   93     23   30   39   53   57   62   64   67   69   71   74   77   79   82   83   85   88   89   90   90 
LCS_GDT     E    39_A     E    39_A     35   66   93     23   30   39   53   57   62   64   67   69   71   74   77   79   82   83   85   88   89   90   90 
LCS_GDT     Y    40_A     Y    40_A     35   66   93     23   30   39   53   57   62   64   67   69   71   74   77   79   82   83   85   88   89   90   90 
LCS_GDT     K    41_A     K    41_A     35   66   93     23   30   39   53   57   62   64   67   69   71   74   77   79   82   83   85   88   89   90   90 
LCS_GDT     K    42_A     K    42_A     35   66   93     17   30   39   53   57   62   64   67   69   71   74   77   79   82   83   85   88   89   90   90 
LCS_GDT     K    43_A     K    43_A     35   66   93     17   30   39   53   57   62   64   67   69   71   74   77   79   82   83   85   88   89   90   90 
LCS_GDT     Y    44_A     Y    44_A     35   66   93     14   29   38   53   57   62   64   67   69   71   74   77   79   82   83   85   88   89   90   90 
LCS_GDT     S    45_A     S    45_A     35   66   93      7   22   36   50   57   62   64   67   69   71   74   77   79   82   83   85   88   89   90   90 
LCS_GDT     D    46_A     D    46_A      4   66   93      3    4    4    6   13   28   42   50   63   68   71   76   79   82   83   85   88   89   90   90 
LCS_GDT     A    47_A     A    47_A      4   66   93      3    4    4   23   43   52   62   67   69   71   74   77   79   82   83   85   88   89   90   90 
LCS_GDT     D    48_A     D    48_A     21   66   93      7   23   39   53   57   62   64   67   69   71   74   77   79   82   83   85   88   89   90   90 
LCS_GDT     I    49_A     I    49_A     21   66   93     11   26   39   53   57   62   64   67   69   71   74   77   79   82   83   85   88   89   90   90 
LCS_GDT     E    50_A     E    50_A     21   66   93     11   23   39   53   57   62   64   67   69   71   74   77   79   82   83   85   88   89   90   90 
LCS_GDT     P    51_A     P    51_A     21   66   93     10   21   37   53   57   62   64   67   69   71   74   77   79   82   83   85   88   89   90   90 
LCS_GDT     F    52_A     F    52_A     21   66   93     10   23   37   53   57   62   64   67   69   71   74   77   79   82   83   85   88   89   90   90 
LCS_GDT     L    53_A     L    53_A     21   66   93     11   23   39   53   57   62   64   67   69   71   74   77   79   82   83   85   88   89   90   90 
LCS_GDT     K    54_A     K    54_A     21   66   93      8   23   39   53   57   62   64   67   69   71   74   77   79   82   83   85   88   89   90   90 
LCS_GDT     N    55_A     N    55_A     21   66   93      6   23   37   52   57   62   64   67   69   71   74   77   79   82   83   85   88   89   90   90 
LCS_GDT     S    56_A     S    56_A     21   66   93      7   18   36   51   57   62   64   67   69   71   74   77   79   82   83   85   88   89   90   90 
LCS_GDT     S    57_A     S    57_A     21   66   93      6   18   35   49   57   62   64   67   69   71   74   77   79   82   83   85   88   89   90   90 
LCS_GDT     Q    58_A     Q    58_A     21   66   93      3    6   32   45   57   62   64   67   69   71   74   77   79   82   83   85   88   89   90   90 
LCS_GDT     F    59_A     F    59_A     21   66   93      3    6   35   45   56   62   64   67   69   71   74   77   79   82   83   85   88   89   90   90 
LCS_GDT     F    60_A     F    60_A     21   66   93      3   20   37   53   57   62   64   67   69   71   74   77   79   82   83   85   88   89   90   90 
LCS_GDT     Q    61_A     Q    61_A     21   66   93     11   24   39   53   57   62   64   67   69   71   74   77   79   82   83   85   88   89   90   90 
LCS_GDT     S    62_A     S    62_A     21   66   93      8   23   39   53   57   62   64   67   69   71   74   77   79   82   83   85   88   89   90   90 
LCS_GDT     Y    63_A     Y    63_A     21   66   93      8   23   39   53   57   62   64   67   69   71   74   77   79   82   83   85   88   89   90   90 
LCS_GDT     V    64_A     V    64_A     21   66   93     11   30   39   53   57   62   64   67   69   71   74   77   79   82   83   85   88   89   90   90 
LCS_GDT     E    65_A     E    65_A     21   66   93      8   23   39   53   57   62   64   67   69   71   74   77   79   82   83   85   88   89   90   90 
LCS_GDT     R    66_A     R    66_A     21   66   93      8   24   39   53   57   62   64   67   69   71   74   77   79   82   83   85   88   89   90   90 
LCS_GDT     G    67_A     G    67_A     21   66   93      9   24   39   53   57   62   64   67   69   71   74   77   79   82   83   85   88   89   90   90 
LCS_GDT     L    68_A     L    68_A     21   66   93     23   30   39   53   57   62   64   67   69   71   74   77   79   82   83   85   88   89   90   90 
LCS_GDT     R    69_A     R    69_A     18   66   93     20   30   39   53   57   62   64   67   69   71   74   77   79   82   83   85   88   89   90   90 
LCS_GDT     V    70_A     V    70_A     18   66   93     23   30   39   53   57   62   64   67   69   71   74   77   79   82   83   85   88   89   90   90 
LCS_GDT     I    71_A     I    71_A     18   66   93     11   23   39   53   57   62   64   67   69   71   74   77   79   82   83   85   88   89   90   90 
LCS_GDT     E    72_A     E    72_A     18   66   93      7   28   37   53   57   62   64   67   69   71   74   77   79   82   83   85   88   89   90   90 
LCS_GDT     M    73_A     M    73_A     18   66   93      6   29   38   53   57   62   64   67   69   71   74   77   79   82   83   85   88   89   90   90 
LCS_GDT     E    74_A     E    74_A     18   66   93     10   22   38   53   57   62   64   67   69   71   74   77   79   82   83   85   88   89   90   90 
LCS_GDT     R    75_A     R    75_A     18   66   93      5   21   37   53   57   62   64   67   69   71   74   77   79   82   83   85   88   89   90   90 
LCS_GDT     E    76_A     E    76_A     18   66   93      4   15   36   45   57   62   64   67   69   71   74   77   79   82   83   85   88   89   90   90 
LCS_GDT     G    77_A     G    77_A     18   66   93      4   14   29   44   52   61   64   67   69   71   74   77   79   82   83   85   88   89   90   90 
LCS_GDT     K    78_A     K    78_A      4   66   93      3   15   30   44   54   62   64   66   68   70   73   75   79   81   83   85   88   89   90   90 
LCS_GDT     G    79_A     G    79_A      4   65   93      4   11   19   36   47   55   62   65   68   69   72   74   77   80   83   85   88   89   90   90 
LCS_GDT     R    80_A     R    80_A      4   49   93      1    3    4    6   13   52   59   65   68   69   72   74   77   80   83   85   88   89   90   90 
LCS_GDT     I    81_A     I    81_A      4   34   93      3    3    4    5   57   62   64   67   69   71   74   77   79   82   83   85   88   89   90   90 
LCS_GDT     S    82_A     S    82_A      4    6   93      3    3    4    6   28   40   56   63   66   69   72   75   79   82   83   85   88   89   90   90 
LCS_GDT     T    83_A     T    83_A      4    6   93      3    3    4    5    7    8   20   29   52   61   66   70   74   77   83   85   88   89   90   90 
LCS_GDT     S    84_A     S    84_A      4    6   93      2    3    4    5    7    8   11   12   23   42   54   67   72   77   83   85   88   89   90   90 
LCS_GDT     T    85_A     T    85_A      7    8   93      2    4    7    7   26   32   38   43   49   52   55   61   66   71   77   83   84   88   90   90 
LCS_GDT     G    86_A     G    86_A      7    8   93      3    6   18   25   34   41   44   47   51   57   63   68   74   80   83   85   88   89   90   90 
LCS_GDT     I    87_A     I    87_A      7    8   93      3    5    7    7   32   39   44   47   51   58   69   75   76   80   83   85   88   89   90   90 
LCS_GDT     S    88_A     S    88_A      7    8   93      3    5    7    7    8   12   49   57   60   67   72   75   79   82   83   85   88   89   90   90 
LCS_GDT     P    89_A     P    89_A      7    8   93      2    5    7    7    8   10   16   23   52   68   74   77   79   82   83   85   88   89   90   90 
LCS_GDT     Q    90_A     Q    90_A      7    8   93      0    5    7    7    8   10   16   35   64   71   74   77   79   82   83   85   88   89   90   90 
LCS_GDT     M    91_A     M    91_A      7    8   93      2    5    7    7    8   10   11   14   21   68   74   76   79   82   83   85   88   89   90   90 
LCS_GDT     E    92_A     E    92_A      4    8   93      3    4    5    5    8   16   24   63   69   71   74   77   79   82   83   85   88   89   90   90 
LCS_GDT     V    93_A     V    93_A      4    6   93      3    4    4    5    5    6    8   27   63   71   74   77   79   82   83   85   86   88   90   90 
LCS_GDT     T    94_A     T    94_A      4    8   93      3    4    4    5    5    6    8   25   31   51   72   74   79   81   82   84   86   87   87   88 
LCS_GDT     C    95_A     C    95_A      4    8   93      3    4    7    7    8    8   22   26   40   51   60   73   76   81   82   83   85   87   87   87 
LCS_GDT     V    96_A     V    96_A      6    8   15      3    4    7    7    8    8    8    9   16   21   25   32   48   60   68   76   81   83   85   86 
LCS_GDT     P    97_A     P    97_A      6    8   15      3    5    7    7    8    8    8    9   10   10   22   32   34   37   45   64   70   74   81   85 
LCS_GDT     T    98_A     T    98_A      6    8   15      3    5    7    7    8    8    8    9   10   10   13   17   19   27   42   60   62   66   75   76 
LCS_GDT     P    99_A     P    99_A      6    8   15      3    5    7    7    8    8    8    9   10   10   13   17   19   25   27   43   55   60   65   71 
LCS_GDT     T   100_A     T   100_A      6    8   15      3    5    7    7    8    8    8    9   10   10   13   17   19   25   27   30   34   38   55   58 
LCS_GDT     S   101_A     S   101_A      6    8   16      3    5    7    7    8    8    8    9   10   10   12   17   19   22   25   30   32   38   38   41 
LCS_GDT     T   102_A     T   102_A      3    8   16      0    3    3    6    8    9    9   10   11   13   14   14   16   18   21   23   25   26   33   40 
LCS_GDT     V   103_A     V   103_A      4    8   17      4    4    4    6    8    9   11   11   13   14   14   14   18   20   23   24   25   26   34   39 
LCS_GDT     S   104_A     S   104_A      4    8   17      4    4    4    5    8    9   11   11   13   14   14   15   18   20   27   30   32   38   38   40 
LCS_GDT     S   105_A     S   105_A      4    8   17      4    4    6    9   10   11   11   11   13   14   14   15   18   25   27   30   32   38   38   40 
LCS_GDT     I   106_A     I   106_A      5    8   17      4    4    6    9   10   11   11   11   13   14   14   16   22   27   28   43   45   47   50   50 
LCS_GDT     G   107_A     G   107_A      6    8   27      4    5    6    8   10   11   11   11   13   16   32   38   41   43   44   46   47   48   50   52 
LCS_GDT     N   108_A     N   108_A      6    8   28      4    5    6    9   10   11   12   16   22   28   35   39   41   43   44   46   47   48   50   52 
LCS_GDT     T   109_A     T   109_A      6    8   28      4    5    6    9   11   13   16   18   22   27   32   39   41   43   44   46   47   48   50   58 
LCS_GDT     N   110_A     N   110_A      6    8   31      4    5    6    9   10   11   14   17   19   21   22   22   23   23   25   30   33   46   48   53 
LCS_GDT     G   111_A     G   111_A      6    8   31      3    5    6    9   10   11   11   11   13   14   21   21   23   25   30   40   47   52   58   66 
LCS_GDT     E   112_A     E   112_A      6    8   31      3    4    6    9   10   11   11   11   17   21   22   24   38   40   43   46   48   60   64   67 
LCS_GDT     E   113_A     E   113_A      4    7   31      3    4    5    7   11   14   16   21   25   31   35   39   41   43   44   46   48   60   64   72 
LCS_GDT     V   114_A     V   114_A      4   18   31      3    4    6    9   10   14   19   25   27   31   35   39   41   43   44   46   47   48   50   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   43   44   46   47   48   50   51 
LCS_GDT     P   116_A     P   116_A     17   22   31      8   14   17   18   19   20   22   25   27   31   35   39   41   43   44   46   47   48   50   51 
LCS_GDT     S   117_A     S   117_A     17   22   31      8   14   17   18   19   20   22   25   27   31   34   39   41   43   44   46   47   48   50   51 
LCS_GDT     V   118_A     V   118_A     17   22   31      8   14   17   18   19   20   22   25   26   30   34   39   41   43   44   45   47   48   50   51 
LCS_GDT     Y   119_A     Y   119_A     17   22   31      8   14   17   18   19   20   22   25   27   31   35   39   41   43   44   46   47   48   50   51 
LCS_GDT     L   120_A     L   120_A     17   22   31      8   14   17   18   19   20   22   25   27   31   35   39   41   43   44   46   47   48   50   51 
LCS_GDT     E   121_A     E   121_A     17   22   31      8   14   17   18   19   20   22   25   27   31   35   39   41   43   44   46   47   48   50   51 
LCS_GDT     R   122_A     R   122_A     17   22   31      7   14   17   18   19   20   22   25   27   31   35   39   41   43   44   46   47   48   50   51 
LCS_GDT     L   123_A     L   123_A     17   22   31      7   14   17   18   19   20   22   25   27   31   35   39   41   43   44   46   47   48   50   51 
LCS_GDT     K   124_A     K   124_A     17   22   31      7   14   17   18   19   20   22   25   27   31   35   39   41   43   44   46   47   48   50   51 
LCS_GDT     I   125_A     I   125_A     17   22   31      8   14   17   18   19   20   22   25   27   31   35   39   41   43   44   46   47   48   50   51 
LCS_GDT     L   126_A     L   126_A     17   22   31      7   14   17   18   19   20   22   25   27   31   35   39   41   43   44   46   47   48   50   51 
LCS_GDT     R   127_A     R   127_A     17   22   31      7   14   17   18   19   20   22   25   27   31   35   39   41   43   44   46   47   48   50   51 
LCS_GDT     Q   128_A     Q   128_A     17   22   31      6   14   17   18   19   20   22   25   27   31   35   39   41   43   44   46   47   48   50   51 
LCS_GDT     R   129_A     R   129_A     17   22   31      6   13   17   18   19   20   22   25   27   31   35   39   41   43   44   46   47   48   50   51 
LCS_GDT     C   130_A     C   130_A     17   22   31      8   13   17   18   19   20   22   25   27   31   35   39   41   43   44   46   47   48   50   51 
LCS_GDT     G   131_A     G   131_A     17   22   31      5   13   17   18   19   20   22   25   27   31   35   39   41   43   44   46   47   48   50   51 
LCS_GDT     L   132_A     L   132_A      3   22   31      3    3    4   13   17   20   22   24   27   31   35   39   41   43   44   46   47   48   50   51 
LCS_GDT     D   133_A     D   133_A      3   22   31      3    3    4   18   19   20   22   25   27   31   35   39   41   43   44   46   47   48   50   51 
LCS_GDT     N   134_A     N   134_A      3   22   31      3    3   11   17   19   20   22   24   27   31   35   39   41   43   44   46   47   48   50   51 
LCS_GDT     T   135_A     T   135_A      3   22   31      3    3    5    7   19   20   22   25   27   31   35   39   41   43   44   46   47   48   50   51 
LCS_GDT     K   136_A     K   136_A      3   22   31      3    3    4    5    7   10   22   24   27   31   35   39   41   43   44   46   47   48   50   51 
LCS_GDT     Q   137_A     Q   137_A      4    6   31      3    3    4    5    8   10   22   24   27   31   35   39   41   43   44   46   47   48   50   51 
LCS_GDT     D   138_A     D   138_A      4    6   31      3    3    4    5    6    8    9   19   25   31   35   39   41   43   44   46   47   48   50   51 
LCS_GDT     D   139_A     D   139_A      4    5   31      3    3    4    5    6    9    9   13   14   28   35   39   41   43   44   46   47   48   50   51 
LCS_GDT     R   140_A     R   140_A      4    5   31      3    3    5    7   18   20   21   25   27   31   35   39   41   43   44   46   47   48   50   51 
LCS_GDT     P   141_A     P   141_A      3    4   31      3    3    3    4    4    4   15   25   26   28   34   39   41   43   44   45   45   48   50   50 
LCS_AVERAGE  LCS_A:  30.76  (  12.58   28.96   50.73 )

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     23     30     39     53     57     62     64     67     69     71     74     77     79     82     83     85     88     89     90     90 
GDT PERCENT_AT  16.31  21.28  27.66  37.59  40.43  43.97  45.39  47.52  48.94  50.35  52.48  54.61  56.03  58.16  58.87  60.28  62.41  63.12  63.83  63.83
GDT RMS_LOCAL    0.35   0.47   0.91   1.29   1.41   1.62   1.70   1.92   2.12   2.36   2.66   3.07   3.10   3.46   3.52   3.67   4.08   4.20   4.27   4.27
GDT RMS_ALL_AT  31.08  30.94  31.21  30.80  30.74  30.92  30.68  30.54  30.39  30.29  30.23  30.19  30.51  30.32  30.35  30.42  31.02  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:  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:  D   133_A      D   133_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    A     1_A      A     1_A    18.799     0    0.222   0.264    21.408    0.000    0.000
LGA    S     2_A      S     2_A    18.907     0    0.648   0.772    22.362    0.000    0.000
LGA    R     3_A      R     3_A    14.815     0    0.243   1.106    20.827    0.000    0.000
LGA    I     4_A      I     4_A    13.037     0    0.076   0.253    17.907    0.000    0.000
LGA    D     5_A      D     5_A    12.336     0    0.111   0.830    13.041    0.000    0.000
LGA    E     6_A      E     6_A    11.077     0    0.057   0.730    12.596    0.357    0.159
LGA    K     7_A      K     7_A     9.693     0    0.049   0.576    12.774    2.619    1.164
LGA    S     8_A      S     8_A     7.780     0    0.015   0.109     9.112    9.286    7.222
LGA    S     9_A      S     9_A     7.360     0    0.016   0.764     8.942   15.119   11.349
LGA    K    10_A      K    10_A     5.794     0    0.093   1.025    12.708   23.095   12.857
LGA    A    11_A      A    11_A     4.716     0    0.046   0.058     5.248   34.524   33.905
LGA    K    12_A      K    12_A     3.628     0    0.041   0.084     5.407   46.905   38.413
LGA    V    13_A      V    13_A     2.963     0    0.027   0.698     4.364   57.262   50.476
LGA    N    14_A      N    14_A     2.711     0    0.027   0.876     4.395   60.952   53.869
LGA    D    15_A      D    15_A     1.949     0    0.016   1.006     4.209   75.119   61.964
LGA    F    16_A      F    16_A     1.061     0    0.024   0.075     1.568   85.952   82.294
LGA    L    17_A      L    17_A     0.942     0    0.029   1.373     2.851   85.952   78.571
LGA    A    18_A      A    18_A     1.431     0    0.029   0.034     1.636   81.429   79.714
LGA    E    19_A      E    19_A     0.961     0    0.048   0.830     3.118   85.952   80.053
LGA    I    20_A      I    20_A     0.772     0    0.032   0.069     1.191   85.952   90.595
LGA    F    21_A      F    21_A     1.440     0    0.024   0.099     1.974   77.143   79.091
LGA    K    22_A      K    22_A     1.905     0    0.025   0.686     4.299   70.833   61.164
LGA    K    23_A      K    23_A     1.602     0    0.037   0.628     1.861   72.857   75.714
LGA    I    24_A      I    24_A     1.401     0    0.017   0.044     1.732   77.143   81.548
LGA    G    25_A      G    25_A     1.865     0    0.159   0.159     2.711   66.905   66.905
LGA    S    26_A      S    26_A     1.970     0    0.092   0.195     2.658   72.857   68.889
LGA    K    27_A      K    27_A     2.136     0    0.042   0.833     4.768   64.762   56.984
LGA    E    28_A      E    28_A     2.027     0    0.016   1.007     5.522   68.810   51.376
LGA    N    29_A      N    29_A     1.539     0    0.064   1.018     3.479   77.143   76.488
LGA    T    30_A      T    30_A     1.903     0    0.006   0.235     2.692   72.857   68.299
LGA    K    31_A      K    31_A     1.939     0    0.021   1.123     8.381   72.857   48.201
LGA    E    32_A      E    32_A     1.115     0    0.045   1.063     4.191   85.952   69.947
LGA    G    33_A      G    33_A     0.856     0    0.006   0.006     0.947   90.476   90.476
LGA    L    34_A      L    34_A     0.845     0    0.024   0.091     1.179   90.476   85.952
LGA    A    35_A      A    35_A     0.679     0    0.025   0.039     0.817   90.476   90.476
LGA    E    36_A      E    36_A     0.684     0    0.033   0.121     1.663   90.476   84.550
LGA    L    37_A      L    37_A     0.352     0    0.030   0.108     0.582  100.000   98.810
LGA    Y    38_A      Y    38_A     0.341     0    0.023   0.213     0.830   97.619   95.238
LGA    E    39_A      E    39_A     0.576     0    0.021   0.926     3.005   92.857   81.376
LGA    Y    40_A      Y    40_A     0.581     0    0.057   0.153     1.369   90.476   88.214
LGA    K    41_A      K    41_A     0.664     0    0.030   0.612     2.371   90.476   86.614
LGA    K    42_A      K    42_A     0.820     0    0.042   0.640     2.965   85.952   84.815
LGA    K    43_A      K    43_A     1.372     0    0.062   0.962     3.353   75.119   68.783
LGA    Y    44_A      Y    44_A     2.057     0    0.311   0.390     3.261   64.881   59.841
LGA    S    45_A      S    45_A     2.590     0    0.340   0.319     3.490   57.262   62.540
LGA    D    46_A      D    46_A     6.053     0    0.593   1.263    10.883   30.714   15.714
LGA    A    47_A      A    47_A     4.476     0    0.541   0.571     5.497   47.262   43.048
LGA    D    48_A      D    48_A     1.571     0    0.576   1.219     6.238   81.667   55.595
LGA    I    49_A      I    49_A     0.767     0    0.094   0.137     1.313   83.690   90.655
LGA    E    50_A      E    50_A     1.145     0    0.046   1.271     3.601   81.429   72.646
LGA    P    51_A      P    51_A     1.796     0    0.038   0.078     1.938   72.857   72.857
LGA    F    52_A      F    52_A     1.788     0    0.013   1.539     5.188   72.857   66.494
LGA    L    53_A      L    53_A     1.216     0    0.025   0.685     2.789   81.429   78.393
LGA    K    54_A      K    54_A     1.201     0    0.024   0.985     3.953   77.143   69.153
LGA    N    55_A      N    55_A     2.516     0    0.189   0.174     3.128   61.071   58.214
LGA    S    56_A      S    56_A     2.639     0    0.070   0.662     2.899   59.048   62.302
LGA    S    57_A      S    57_A     3.035     0    0.029   0.703     4.945   53.571   50.476
LGA    Q    58_A      Q    58_A     3.650     0    0.032   1.255     9.973   48.333   28.730
LGA    F    59_A      F    59_A     3.409     0    0.023   0.055     4.940   53.571   45.022
LGA    F    60_A      F    60_A     1.587     0    0.130   0.283     2.168   75.119   80.823
LGA    Q    61_A      Q    61_A     1.336     0    0.096   1.001     5.273   81.429   63.598
LGA    S    62_A      S    62_A     1.924     0    0.038   0.061     2.397   70.833   68.810
LGA    Y    63_A      Y    63_A     1.452     0    0.051   0.174     2.434   81.429   74.444
LGA    V    64_A      V    64_A     0.467     0    0.048   1.039     2.218   92.857   85.646
LGA    E    65_A      E    65_A     1.277     0    0.033   0.960     5.771   83.690   62.804
LGA    R    66_A      R    66_A     1.568     0    0.033   1.021     5.187   79.286   67.403
LGA    G    67_A      G    67_A     0.972     0    0.089   0.089     1.048   88.214   88.214
LGA    L    68_A      L    68_A     0.184     0    0.040   0.074     0.923   97.619   96.429
LGA    R    69_A      R    69_A     0.818     0    0.033   1.276     6.671   90.595   67.273
LGA    V    70_A      V    70_A     0.362     0    0.099   1.122     3.275   97.619   86.258
LGA    I    71_A      I    71_A     0.835     0    0.040   0.662     2.298   86.190   83.988
LGA    E    72_A      E    72_A     1.651     0    0.059   0.427     3.306   75.000   66.878
LGA    M    73_A      M    73_A     1.382     0    0.026   1.016     2.384   79.286   76.190
LGA    E    74_A      E    74_A     1.370     0    0.049   0.213     1.432   81.429   83.439
LGA    R    75_A      R    75_A     1.537     0    0.047   1.040     3.978   70.833   69.437
LGA    E    76_A      E    76_A     2.538     0    0.030   0.824     4.922   55.476   49.683
LGA    G    77_A      G    77_A     3.416     0    0.458   0.458     3.416   53.690   53.690
LGA    K    78_A      K    78_A     4.565     0    0.509   1.012     9.442   43.929   22.593
LGA    G    79_A      G    79_A     6.297     0    0.626   0.626     6.297   22.738   22.738
LGA    R    80_A      R    80_A     6.183     0    0.585   1.323    15.964   31.905   12.251
LGA    I    81_A      I    81_A     2.735     0    0.620   1.172     8.846   57.143   38.274
LGA    S    82_A      S    82_A     7.226     0    0.093   0.563    10.967   10.952    7.381
LGA    T    83_A      T    83_A    10.042     0    0.586   1.312    11.790    0.952    1.020
LGA    S    84_A      S    84_A    12.332     0    0.108   0.510    12.789    0.000    0.000
LGA    T    85_A      T    85_A    15.787     0    0.563   0.565    19.366    0.000    0.000
LGA    G    86_A      G    86_A    14.206     0    0.412   0.412    14.206    0.000    0.000
LGA    I    87_A      I    87_A    13.175     0    0.126   1.402    14.273    0.119    0.060
LGA    S    88_A      S    88_A    11.790     0    0.078   0.203    14.761    0.119    0.079
LGA    P    89_A      P    89_A     9.220     0    0.121   0.354    11.588    1.429    0.884
LGA    Q    90_A      Q    90_A     8.814     0    0.058   1.323    15.632    8.690    3.862
LGA    M    91_A      M    91_A     6.605     0    0.533   0.526     7.771   17.738   13.690
LGA    E    92_A      E    92_A     6.334     0    0.385   0.920     6.930   15.238   19.683
LGA    V    93_A      V    93_A     9.372     0    0.190   1.159    10.615    1.905    2.177
LGA    T    94_A      T    94_A    14.367     0    0.148   1.000    17.295    0.000    0.000
LGA    C    95_A      C    95_A    17.275     0    0.599   0.815    18.358    0.000    0.000
LGA    V    96_A      V    96_A    22.131     0    0.136   1.211    26.129    0.000    0.000
LGA    P    97_A      P    97_A    22.893     0    0.061   0.387    26.952    0.000    0.000
LGA    T    98_A      T    98_A    28.273     0    0.102   0.370    30.179    0.000    0.000
LGA    P    99_A      P    99_A    31.370     0    0.039   0.161    34.437    0.000    0.000
LGA    T   100_A      T   100_A    34.327     0    0.257   1.116    35.478    0.000    0.000
LGA    S   101_A      S   101_A    39.468     0    0.613   0.703    42.609    0.000    0.000
LGA    T   102_A      T   102_A    38.651     0    0.584   0.947    41.676    0.000    0.000
LGA    V   103_A      V   103_A    35.136     0    0.562   0.761    36.336    0.000    0.000
LGA    S   104_A      S   104_A    34.567     0    0.159   0.704    36.551    0.000    0.000
LGA    S   105_A      S   105_A    36.394     0    0.207   0.225    37.028    0.000    0.000
LGA    I   106_A      I   106_A    37.258     0    0.148   0.316    43.734    0.000    0.000
LGA    G   107_A      G   107_A    33.660     0    0.041   0.041    34.730    0.000    0.000
LGA    N   108_A      N   108_A    34.619     0    0.078   0.512    37.939    0.000    0.000
LGA    T   109_A      T   109_A    32.371     0    0.113   0.157    33.544    0.000    0.000
LGA    N   110_A      N   110_A    32.638     0    0.066   0.156    35.068    0.000    0.000
LGA    G   111_A      G   111_A    30.528     0    0.128   0.128    31.345    0.000    0.000
LGA    E   112_A      E   112_A    28.910     0    0.528   1.291    32.977    0.000    0.000
LGA    E   113_A      E   113_A    27.012     0    0.561   0.875    28.517    0.000    0.000
LGA    V   114_A      V   114_A    31.012     0    0.145   1.005    34.558    0.000    0.000
LGA    G   115_A      G   115_A    31.306     0    0.592   0.592    34.140    0.000    0.000
LGA    P   116_A      P   116_A    36.785     0    0.031   0.064    39.687    0.000    0.000
LGA    S   117_A      S   117_A    41.194     0    0.037   0.102    42.486    0.000    0.000
LGA    V   118_A      V   118_A    38.143     0    0.069   0.942    39.480    0.000    0.000
LGA    Y   119_A      Y   119_A    37.742     0    0.009   1.365    41.271    0.000    0.000
LGA    L   120_A      L   120_A    44.605     0    0.018   0.057    47.499    0.000    0.000
LGA    E   121_A      E   121_A    46.583     0    0.038   0.932    47.755    0.000    0.000
LGA    R   122_A      R   122_A    42.758     0    0.020   1.105    44.646    0.000    0.000
LGA    L   123_A      L   123_A    44.364     0    0.012   0.162    48.143    0.000    0.000
LGA    K   124_A      K   124_A    51.644     0    0.053   0.943    61.554    0.000    0.000
LGA    I   125_A      I   125_A    51.557     0    0.007   0.055    52.421    0.000    0.000
LGA    L   126_A      L   126_A    47.830     0    0.062   1.405    50.637    0.000    0.000
LGA    R   127_A      R   127_A    52.434     0    0.038   0.996    57.125    0.000    0.000
LGA    Q   128_A      Q   128_A    58.673     0    0.059   0.849    61.501    0.000    0.000
LGA    R   129_A      R   129_A    56.646     0    0.080   1.095    57.929    0.000    0.000
LGA    C   130_A      C   130_A    55.331     0    0.199   0.185    58.199    0.000    0.000
LGA    G   131_A      G   131_A    61.926     0    0.676   0.676    62.067    0.000    0.000
LGA    L   132_A      L   132_A    62.260     0    0.570   0.589    63.340    0.000    0.000
LGA    D   133_A      D   133_A    64.969     0    0.392   0.520    68.773    0.000    0.000
LGA    N   134_A      N   134_A    69.661     0    0.465   1.163    72.780    0.000    0.000
LGA    T   135_A      T   135_A    74.459     0    0.586   0.979    77.630    0.000    0.000
LGA    K   136_A      K   136_A    81.218     0    0.406   1.089    83.740    0.000    0.000
LGA    Q   137_A      Q   137_A    86.474     0    0.212   0.359    90.408    0.000    0.000
LGA    D   138_A      D   138_A    90.122     0    0.529   0.652    91.730    0.000    0.000
LGA    D   139_A      D   139_A    95.371     0    0.137   0.885    98.196    0.000    0.000
LGA    R   140_A      R   140_A    98.264     0    0.230   1.534   106.965    0.000    0.000
LGA    P   141_A      P   141_A    96.644     0    0.158   0.482    98.799    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):    21.603         21.410                 21.979           37.626   34.354

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  141  141    4.0     67    1.92    41.667    39.879     3.311

LGA_LOCAL      RMSD:   1.924  Number of atoms:   67  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  30.543  Number of assigned atoms:  141 
Std_ASGN_ATOMS RMSD:  21.603  Standard rmsd on all 141 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.236132 * X  +  -0.689009 * Y  +   0.685206 * Z  +  -2.974973
  Y_new =  -0.622541 * X  +  -0.648697 * Y  +  -0.437761 * Z  +  -6.625867
  Z_new =   0.746113 * X  +  -0.323200 * Y  +  -0.582115 * Z  +  -0.414280 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.208258 -0.842205 -2.634753   [DEG:  -69.2281  -48.2548 -150.9603 ]
ZXZ:  1.002282  2.192124  1.979573   [DEG:   57.4265  125.5994  113.4212 ]
 
# END of job
