
#######################################################
#                                                     #
#                        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        4.97    28.88
  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    28.10
  LCS_AVERAGE:     29.22

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    35      10_A - 44_A        0.98    28.41
  LONGEST_CONTINUOUS_SEGMENT:    35      11_A - 45_A        0.96    28.32
  LCS_AVERAGE:     12.73

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   11   14   17   24   31   43   52   61   64   77   82   88   92   92 
LCS_GDT     S     2_A     S     2_A      4    5   95      3    4    4    4    4    8    9   10   17   24   28   45   59   63   71   75   76   88   92   92 
LCS_GDT     R     3_A     R     3_A      4   40   95      3    4    4    4    7   15   43   48   54   58   65   70   74   81   85   86   87   90   92   92 
LCS_GDT     I     4_A     I     4_A     18   42   95      3   13   20   29   38   45   49   54   61   67   68   72   74   84   85   88   88   90   92   92 
LCS_GDT     D     5_A     D     5_A     18   42   95      4   11   17   23   40   43   49   54   61   67   68   72   82   84   85   88   88   90   92   92 
LCS_GDT     E     6_A     E     6_A     18   43   95      4   13   21   32   40   45   49   57   61   67   74   80   82   84   85   88   88   90   92   92 
LCS_GDT     K     7_A     K     7_A     18   44   95      5   15   23   35   41   46   51   59   65   75   78   80   82   84   85   88   88   90   92   92 
LCS_GDT     S     8_A     S     8_A     19   45   95      5   15   30   37   42   51   60   65   70   75   78   80   82   84   85   88   88   90   92   92 
LCS_GDT     S     9_A     S     9_A     30   45   95      4   15   23   36   42   48   60   66   70   75   78   80   82   84   85   88   88   90   92   92 
LCS_GDT     K    10_A     K    10_A     35   46   95      7   23   32   39   50   56   63   67   70   75   78   80   82   84   85   88   88   90   92   92 
LCS_GDT     A    11_A     A    11_A     35   67   95      8   26   34   42   53   60   65   67   70   75   78   80   82   84   85   88   88   90   92   92 
LCS_GDT     K    12_A     K    12_A     35   67   95      8   26   36   47   58   62   65   67   70   75   78   80   82   84   85   88   88   90   92   92 
LCS_GDT     V    13_A     V    13_A     35   67   95      8   28   36   50   58   62   65   67   70   75   78   80   82   84   85   88   88   90   92   92 
LCS_GDT     N    14_A     N    14_A     35   67   95     11   28   36   50   58   62   65   67   70   75   78   80   82   84   85   88   88   90   92   92 
LCS_GDT     D    15_A     D    15_A     35   67   95     11   28   37   52   58   62   65   67   70   75   78   80   82   84   85   88   88   90   92   92 
LCS_GDT     F    16_A     F    16_A     35   67   95      8   28   41   52   58   62   65   67   70   75   78   80   82   84   85   88   88   90   92   92 
LCS_GDT     L    17_A     L    17_A     35   67   95     22   29   41   52   58   62   65   67   70   75   78   80   82   84   85   88   88   90   92   92 
LCS_GDT     A    18_A     A    18_A     35   67   95     22   29   41   52   58   62   65   67   70   75   78   80   82   84   85   88   88   90   92   92 
LCS_GDT     E    19_A     E    19_A     35   67   95     22   29   41   52   58   62   65   67   70   75   78   80   82   84   85   88   88   90   92   92 
LCS_GDT     I    20_A     I    20_A     35   67   95     22   29   41   52   58   62   65   67   70   75   78   80   82   84   85   88   88   90   92   92 
LCS_GDT     F    21_A     F    21_A     35   67   95     22   29   41   52   58   62   65   67   70   75   78   80   82   84   85   88   88   90   92   92 
LCS_GDT     K    22_A     K    22_A     35   67   95     22   29   41   52   58   62   65   67   70   75   78   80   82   84   85   88   88   90   92   92 
LCS_GDT     K    23_A     K    23_A     35   67   95     22   29   41   52   58   62   65   67   70   75   78   80   82   84   85   88   88   90   92   92 
LCS_GDT     I    24_A     I    24_A     35   67   95     22   29   41   52   58   62   65   67   70   75   78   80   82   84   85   88   88   90   92   92 
LCS_GDT     G    25_A     G    25_A     35   67   95     22   29   41   52   58   62   65   67   70   75   78   80   82   84   85   88   88   90   92   92 
LCS_GDT     S    26_A     S    26_A     35   67   95     22   29   41   52   58   62   65   67   70   75   78   80   82   84   85   88   88   90   92   92 
LCS_GDT     K    27_A     K    27_A     35   67   95     22   29   41   52   58   62   65   67   70   75   78   80   82   84   85   88   88   90   92   92 
LCS_GDT     E    28_A     E    28_A     35   67   95     22   29   41   52   58   62   65   67   70   75   78   80   82   84   85   88   88   90   92   92 
LCS_GDT     N    29_A     N    29_A     35   67   95     22   29   41   52   58   62   65   67   70   75   78   80   82   84   85   88   88   90   92   92 
LCS_GDT     T    30_A     T    30_A     35   67   95     22   29   41   52   58   62   65   67   70   75   78   80   82   84   85   88   88   90   92   92 
LCS_GDT     K    31_A     K    31_A     35   67   95     16   29   41   52   58   62   65   67   70   75   78   80   82   84   85   88   88   90   92   92 
LCS_GDT     E    32_A     E    32_A     35   67   95     20   29   41   52   58   62   65   67   70   75   78   80   82   84   85   88   88   90   92   92 
LCS_GDT     G    33_A     G    33_A     35   67   95     22   29   41   52   58   62   65   67   70   75   78   80   82   84   85   88   88   90   92   92 
LCS_GDT     L    34_A     L    34_A     35   67   95     22   29   41   52   58   62   65   67   70   75   78   80   82   84   85   88   88   90   92   92 
LCS_GDT     A    35_A     A    35_A     35   67   95     22   29   41   52   58   62   65   67   70   75   78   80   82   84   85   88   88   90   92   92 
LCS_GDT     E    36_A     E    36_A     35   67   95     22   29   41   52   58   62   65   67   70   75   78   80   82   84   85   88   88   90   92   92 
LCS_GDT     L    37_A     L    37_A     35   67   95     22   29   41   52   58   62   65   67   70   75   78   80   82   84   85   88   88   90   92   92 
LCS_GDT     Y    38_A     Y    38_A     35   67   95     22   29   41   52   58   62   65   67   70   75   78   80   82   84   85   88   88   90   92   92 
LCS_GDT     E    39_A     E    39_A     35   67   95     21   29   41   52   58   62   65   67   70   75   78   80   82   84   85   88   88   90   92   92 
LCS_GDT     Y    40_A     Y    40_A     35   67   95     16   29   41   52   58   62   65   67   70   75   78   80   82   84   85   88   88   90   92   92 
LCS_GDT     K    41_A     K    41_A     35   67   95     21   29   41   52   58   62   65   67   70   75   78   80   82   84   85   88   88   90   92   92 
LCS_GDT     K    42_A     K    42_A     35   67   95     16   29   41   52   58   62   65   67   70   75   78   80   82   84   85   88   88   90   92   92 
LCS_GDT     K    43_A     K    43_A     35   67   95     15   29   39   52   58   62   65   67   70   75   78   80   82   84   85   88   88   90   92   92 
LCS_GDT     Y    44_A     Y    44_A     35   67   95     11   27   35   51   58   62   65   67   70   75   78   80   82   84   85   88   88   90   92   92 
LCS_GDT     S    45_A     S    45_A     35   67   95      5   21   35   49   56   61   65   67   70   75   78   80   82   84   85   88   88   90   92   92 
LCS_GDT     D    46_A     D    46_A      4   67   95      3    4    4    6    9   17   38   49   59   66   70   79   82   84   85   88   88   90   92   92 
LCS_GDT     A    47_A     A    47_A      4   67   95      3    4    4   26   43   50   61   66   70   75   78   80   82   84   85   88   88   90   92   92 
LCS_GDT     D    48_A     D    48_A     21   67   95     11   23   41   52   58   62   65   67   70   75   78   80   82   84   85   88   88   90   92   92 
LCS_GDT     I    49_A     I    49_A     21   67   95     13   29   41   52   58   62   65   67   70   75   78   80   82   84   85   88   88   90   92   92 
LCS_GDT     E    50_A     E    50_A     21   67   95     13   26   41   52   58   62   65   67   70   75   78   80   82   84   85   88   88   90   92   92 
LCS_GDT     P    51_A     P    51_A     21   67   95     13   22   41   52   58   62   65   67   70   75   78   80   82   84   85   88   88   90   92   92 
LCS_GDT     F    52_A     F    52_A     21   67   95     13   22   41   52   58   62   65   67   70   75   78   80   82   84   85   88   88   90   92   92 
LCS_GDT     L    53_A     L    53_A     21   67   95     13   22   41   52   58   62   65   67   70   75   78   80   82   84   85   88   88   90   92   92 
LCS_GDT     K    54_A     K    54_A     21   67   95      7   21   41   52   58   62   65   67   70   75   78   80   82   84   85   88   88   90   92   92 
LCS_GDT     N    55_A     N    55_A     21   67   95      7   21   38   52   57   62   65   67   70   75   78   80   82   84   85   88   88   90   92   92 
LCS_GDT     S    56_A     S    56_A     21   67   95      7   21   38   50   57   62   65   67   70   75   78   80   82   84   85   88   88   90   92   92 
LCS_GDT     S    57_A     S    57_A     21   67   95      6   21   36   49   57   62   65   67   70   75   78   80   82   84   85   88   88   90   92   92 
LCS_GDT     Q    58_A     Q    58_A     21   67   95      4   12   34   47   56   61   65   67   70   75   78   80   82   84   85   88   88   90   92   92 
LCS_GDT     F    59_A     F    59_A     21   67   95      4   14   34   46   56   62   65   67   70   75   78   80   82   84   85   88   88   90   92   92 
LCS_GDT     F    60_A     F    60_A     21   67   95      3   18   39   52   58   62   65   67   70   75   78   80   82   84   85   88   88   90   92   92 
LCS_GDT     Q    61_A     Q    61_A     21   67   95     13   22   41   52   58   62   65   67   70   75   78   80   82   84   85   88   88   90   92   92 
LCS_GDT     S    62_A     S    62_A     21   67   95      7   21   39   52   58   62   65   67   70   75   78   80   82   84   85   88   88   90   92   92 
LCS_GDT     Y    63_A     Y    63_A     21   67   95      7   19   41   52   58   62   65   67   70   75   78   80   82   84   85   88   88   90   92   92 
LCS_GDT     V    64_A     V    64_A     21   67   95     11   29   41   52   58   62   65   67   70   75   78   80   82   84   85   88   88   90   92   92 
LCS_GDT     E    65_A     E    65_A     21   67   95      7   22   41   52   58   62   65   67   70   75   78   80   82   84   85   88   88   90   92   92 
LCS_GDT     R    66_A     R    66_A     21   67   95      7   22   41   52   58   62   65   67   70   75   78   80   82   84   85   88   88   90   92   92 
LCS_GDT     G    67_A     G    67_A     21   67   95      9   25   41   52   58   62   65   67   70   75   78   80   82   84   85   88   88   90   92   92 
LCS_GDT     L    68_A     L    68_A     21   67   95     22   29   41   52   58   62   65   67   70   75   78   80   82   84   85   88   88   90   92   92 
LCS_GDT     R    69_A     R    69_A     19   67   95     20   29   41   52   58   62   65   67   70   75   78   80   82   84   85   88   88   90   92   92 
LCS_GDT     V    70_A     V    70_A     19   67   95     22   29   41   52   58   62   65   67   70   75   78   80   82   84   85   88   88   90   92   92 
LCS_GDT     I    71_A     I    71_A     19   67   95     11   22   41   52   58   62   65   67   70   75   78   80   82   84   85   88   88   90   92   92 
LCS_GDT     E    72_A     E    72_A     19   67   95     11   19   38   52   58   62   65   67   70   75   78   80   82   84   85   88   88   90   92   92 
LCS_GDT     M    73_A     M    73_A     19   67   95     11   28   41   52   58   62   65   67   70   75   78   80   82   84   85   88   88   90   92   92 
LCS_GDT     E    74_A     E    74_A     19   67   95     11   22   41   52   58   62   65   67   70   75   78   80   82   84   85   88   88   90   92   92 
LCS_GDT     R    75_A     R    75_A     19   67   95     11   19   41   52   58   62   65   67   70   75   78   80   82   84   85   88   88   90   92   92 
LCS_GDT     E    76_A     E    76_A     19   67   95     11   20   35   51   58   62   65   67   70   75   78   80   82   84   85   88   88   90   92   92 
LCS_GDT     G    77_A     G    77_A     19   67   95     11   20   35   50   58   62   65   67   70   75   78   80   82   84   85   88   88   90   92   92 
LCS_GDT     K    78_A     K    78_A      4   66   95      7   13   24   45   53   56   62   65   70   74   78   80   82   84   85   88   88   90   92   92 
LCS_GDT     G    79_A     G    79_A      4   32   95      4   10   12   23   39   49   54   59   63   67   69   72   79   81   85   88   88   90   92   92 
LCS_GDT     R    80_A     R    80_A      4    8   95      3    4    5    6    8    9   12   15   19   61   67   71   71   74   85   88   88   90   92   92 
LCS_GDT     I    81_A     I    81_A      4    8   95      2    3    5    7    8    9   12   64   67   75   78   80   82   84   85   88   88   90   92   92 
LCS_GDT     S    82_A     S    82_A      4    8   95      2    3   10   17   39   55   56   63   70   73   77   80   82   84   85   88   88   90   92   92 
LCS_GDT     T    83_A     T    83_A      4    8   95      3    4    5    6   25   30   51   53   59   65   67   72   77   79   82   88   88   90   92   92 
LCS_GDT     S    84_A     S    84_A      4    6   95      3    4    5    5    6    9   10   13   15   40   56   61   70   78   82   83   85   90   92   92 
LCS_GDT     T    85_A     T    85_A      4    8   95      3    5    6    7    8   11   13   15   19   22   27   33   46   71   79   83   87   90   92   92 
LCS_GDT     G    86_A     G    86_A      4    8   95      3    5    6    7    8   11   13   15   20   31   53   75   82   83   85   88   88   90   92   92 
LCS_GDT     I    87_A     I    87_A      4    8   95      3    4    6    7    8   11   13   15   19   31   72   80   82   83   85   88   88   90   92   92 
LCS_GDT     S    88_A     S    88_A      5    8   95      3    3    5    5    7   51   60   66   70   75   78   80   82   84   85   88   88   90   92   92 
LCS_GDT     P    89_A     P    89_A      5    8   95      3    5    6    7    8   57   61   67   70   75   78   80   82   84   85   88   88   90   92   92 
LCS_GDT     Q    90_A     Q    90_A      5    8   95      3    5    6    7    8   55   60   66   70   75   78   80   82   84   85   88   88   90   92   92 
LCS_GDT     M    91_A     M    91_A      5    8   95      3    5    6    7    8    9   58   64   70   75   78   80   82   84   85   88   88   90   92   92 
LCS_GDT     E    92_A     E    92_A      5    8   95      3    4    5    6    7   11   58   64   70   74   78   80   82   84   85   88   88   90   92   92 
LCS_GDT     V    93_A     V    93_A      4    6   95      3    4    4    5    5    7    9    9   13   75   78   80   82   84   85   88   88   90   92   92 
LCS_GDT     T    94_A     T    94_A      4    6   95      3    4    4    5    5    7    9    9   11   24   72   79   81   84   85   86   87   90   92   92 
LCS_GDT     C    95_A     C    95_A      4    8   95      3    4    4    5    7    8   11   11   13   40   67   69   70   75   80   85   86   88   92   92 
LCS_GDT     V    96_A     V    96_A      3    8   95      0    3    6    8    8    9   11   11   13   13   16   18   22   67   71   73   78   80   84   86 
LCS_GDT     P    97_A     P    97_A      6    8   92      2    5    5    8    8    9   11   11   13   13   16   18   19   20   23   42   54   70   75   80 
LCS_GDT     T    98_A     T    98_A      6    8   16      3    5    6    8    8    9   11   11   13   13   16   18   20   35   48   59   62   64   72   75 
LCS_GDT     P    99_A     P    99_A      6    8   16      3    5    6    8    8    9   11   11   13   13   16   18   21   26   37   50   57   64   66   70 
LCS_GDT     T   100_A     T   100_A      6    8   16      3    5    6    8    8    9   11   11   13   13   16   18   19   21   28   30   33   36   44   52 
LCS_GDT     S   101_A     S   101_A      6    8   16      3    5    6    8    8    9   11   11   13   13   16   18   19   21   28   30   33   36   41   42 
LCS_GDT     T   102_A     T   102_A      6    9   16      0    3    6    8    8    9   11   11   13   13   16   19   21   24   25   27   31   36   41   42 
LCS_GDT     V   103_A     V   103_A      8   10   17      4    7    8    8    8   10   10   12   13   13   15   18   21   24   25   27   31   34   37   40 
LCS_GDT     S   104_A     S   104_A      8   10   20      3    7    8    8    8   10   11   12   13   13   15   20   22   24   25   27   31   34   41   42 
LCS_GDT     S   105_A     S   105_A      8   10   27      5    7    8    8    8   10   11   12   14   17   20   23   24   25   27   27   31   34   41   42 
LCS_GDT     I   106_A     I   106_A      8   10   27      5    7    8    8    8   10   11   12   14   17   20   23   25   26   28   31   33   37   41   46 
LCS_GDT     G   107_A     G   107_A      8   10   27      4    7    8    8    8   10   11   12   15   18   20   23   28   35   37   39   43   44   47   49 
LCS_GDT     N   108_A     N   108_A      8   10   27      5    7    8    8    8   10   11   12   15   17   20   23   28   35   37   39   43   45   47   49 
LCS_GDT     T   109_A     T   109_A      8   10   27      5    7    8    8    8   10   11   12   13   16   19   22   25   26   28   36   43   45   47   49 
LCS_GDT     N   110_A     N   110_A      8   10   27      5    7    8    8    8   10   11   12   13   15   17   20   24   26   28   30   33   36   41   46 
LCS_GDT     G   111_A     G   111_A      3   10   31      3    3    3    7    8   10   11   12   13   16   19   23   25   26   28   30   33   36   41   46 
LCS_GDT     E   112_A     E   112_A      3   10   31      3    3    3    6    8   10   11   12   13   19   20   22   25   29   35   39   43   45   47   49 
LCS_GDT     E   113_A     E   113_A      4    9   31      3    3    6    7    9   14   17   19   25   28   32   34   37   40   40   42   43   45   47   49 
LCS_GDT     V   114_A     V   114_A      4   20   31      3    3    4    8    8   11   14   24   26   28   32   34   37   40   40   42   43   45   47   49 
LCS_GDT     G   115_A     G   115_A     17   23   31      7   14   17   18   19   20   23   24   26   27   28   31   37   40   40   42   43   45   47   49 
LCS_GDT     P   116_A     P   116_A     17   23   31      7   14   17   18   19   20   23   24   26   27   28   31   37   40   40   42   43   45   47   49 
LCS_GDT     S   117_A     S   117_A     17   23   31      7   14   17   18   19   20   23   24   26   27   32   34   37   40   40   42   43   45   47   49 
LCS_GDT     V   118_A     V   118_A     17   23   31      7   14   17   18   19   20   23   24   26   28   32   34   37   40   40   42   43   45   47   49 
LCS_GDT     Y   119_A     Y   119_A     17   23   31      7   14   17   18   19   20   23   24   26   28   32   34   37   40   40   42   43   45   47   49 
LCS_GDT     L   120_A     L   120_A     17   23   31      7   14   17   18   19   20   23   24   26   28   32   34   37   40   40   42   43   45   47   49 
LCS_GDT     E   121_A     E   121_A     17   23   31      7   14   17   18   19   20   23   24   26   28   32   34   37   40   40   42   43   45   47   49 
LCS_GDT     R   122_A     R   122_A     17   23   31      7   14   17   18   19   20   23   24   26   28   32   34   37   40   40   42   43   45   47   49 
LCS_GDT     L   123_A     L   123_A     17   23   31      7   14   17   18   19   20   23   24   26   28   32   34   37   40   40   42   43   45   47   49 
LCS_GDT     K   124_A     K   124_A     17   23   31      7   14   17   18   19   20   23   24   26   28   32   34   37   40   40   42   43   45   47   49 
LCS_GDT     I   125_A     I   125_A     17   23   31      7   14   17   18   19   20   23   24   26   28   32   34   37   40   40   42   43   45   47   49 
LCS_GDT     L   126_A     L   126_A     17   23   31      7   14   17   18   19   20   23   24   26   28   32   34   37   40   40   42   43   45   47   49 
LCS_GDT     R   127_A     R   127_A     17   23   31      7   14   17   18   19   20   23   24   26   28   32   34   37   40   40   42   43   45   47   49 
LCS_GDT     Q   128_A     Q   128_A     17   23   31      6   14   17   18   19   20   23   24   26   28   32   34   37   40   40   42   43   45   47   49 
LCS_GDT     R   129_A     R   129_A     17   23   31      7   14   17   18   19   20   23   24   26   28   32   34   37   40   40   42   43   45   47   49 
LCS_GDT     C   130_A     C   130_A     17   23   31      7   14   17   18   19   20   23   24   26   28   32   34   37   40   40   42   43   45   47   49 
LCS_GDT     G   131_A     G   131_A     17   23   31      6   14   17   18   19   20   23   24   26   28   32   34   37   40   40   42   43   45   47   49 
LCS_GDT     L   132_A     L   132_A      3   23   31      3    3    5    6   19   20   23   24   26   28   32   34   37   40   40   42   43   45   47   49 
LCS_GDT     D   133_A     D   133_A      3   23   31      3    3   14   18   19   20   23   24   26   28   32   34   37   40   40   42   43   45   47   49 
LCS_GDT     N   134_A     N   134_A      3   23   31      3    3   12   17   19   20   23   24   26   28   32   34   37   40   40   42   43   45   47   49 
LCS_GDT     T   135_A     T   135_A      4   23   31      0    4    5    6   14   20   23   24   26   28   32   34   37   40   40   42   43   45   47   49 
LCS_GDT     K   136_A     K   136_A      4   23   31      2    4    5    6    8   20   23   24   26   27   32   34   37   40   40   42   43   45   47   49 
LCS_GDT     Q   137_A     Q   137_A      4   23   31      3    4    5    6   15   20   23   24   26   27   32   34   37   40   40   42   43   45   47   49 
LCS_GDT     D   138_A     D   138_A      4    8   31      3    4    5    6    7    8   10   18   26   28   32   34   37   40   40   42   43   45   47   49 
LCS_GDT     D   139_A     D   139_A      4    8   31      3    3    4    6    8   11   18   24   26   28   32   34   37   40   40   42   43   45   47   49 
LCS_GDT     R   140_A     R   140_A      3    8   31      3    3    4    6   19   19   21   24   26   28   32   34   37   40   40   42   43   45   47   49 
LCS_GDT     P   141_A     P   141_A      3    4   31      0    2    3    3    4    4    4    5    5   22   23   31   37   40   40   42   43   45   47   49 
LCS_AVERAGE  LCS_A:  31.51  (  12.73   29.22   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     41     52     58     62     65     67     70     75     78     80     82     84     85     88     88     90     92     92 
GDT PERCENT_AT  15.60  20.57  29.08  36.88  41.13  43.97  46.10  47.52  49.65  53.19  55.32  56.74  58.16  59.57  60.28  62.41  62.41  63.83  65.25  65.25
GDT RMS_LOCAL    0.32   0.51   0.98   1.23   1.46   1.61   1.77   1.98   2.30   2.67   2.90   3.08   3.26   3.56   3.59   3.94   3.94   4.15   4.33   4.33
GDT RMS_ALL_AT  28.81  28.76  28.80  28.44  28.16  28.18  28.15  28.34  29.12  28.73  28.80  29.00  29.12  28.71  29.13  29.18  29.18  29.43  29.28  29.28

# 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    16.252     0    0.653   0.613    18.844    0.000    0.000
LGA    S     2_A      S     2_A    16.532     0    0.682   0.618    20.514    0.000    0.000
LGA    R     3_A      R     3_A    12.111     0    0.192   1.115    17.042    0.357    0.130
LGA    I     4_A      I     4_A    11.552     0    0.058   0.791    17.706    0.000    0.000
LGA    D     5_A      D     5_A    11.010     0    0.087   0.830    11.586    0.357    0.179
LGA    E     6_A      E     6_A     9.723     0    0.046   0.690    11.105    2.619    1.164
LGA    K     7_A      K     7_A     8.438     0    0.023   0.826    14.236    6.667    3.439
LGA    S     8_A      S     8_A     6.964     0    0.039   0.059     8.143   13.810   11.667
LGA    S     9_A      S     9_A     6.803     0    0.052   0.771     8.484   19.048   14.683
LGA    K    10_A      K    10_A     5.205     0    0.110   0.604     7.940   29.048   21.429
LGA    A    11_A      A    11_A     4.149     0    0.047   0.056     4.637   40.476   39.810
LGA    K    12_A      K    12_A     3.312     0    0.031   0.057     5.469   51.905   41.905
LGA    V    13_A      V    13_A     2.560     0    0.039   0.729     3.887   61.190   55.510
LGA    N    14_A      N    14_A     2.328     0    0.030   0.896     4.220   68.810   59.583
LGA    D    15_A      D    15_A     1.693     0    0.017   1.009     3.831   79.405   67.619
LGA    F    16_A      F    16_A     0.927     0    0.023   0.086     1.535   90.595   83.983
LGA    L    17_A      L    17_A     0.677     0    0.038   1.374     2.667   90.476   79.881
LGA    A    18_A      A    18_A     1.096     0    0.027   0.036     1.235   85.952   85.048
LGA    E    19_A      E    19_A     0.647     0    0.046   0.917     3.053   90.476   79.365
LGA    I    20_A      I    20_A     0.682     0    0.032   0.072     1.104   88.214   91.726
LGA    F    21_A      F    21_A     1.305     0    0.019   0.396     2.083   77.143   77.576
LGA    K    22_A      K    22_A     1.558     0    0.027   0.691     3.814   75.000   67.989
LGA    K    23_A      K    23_A     1.334     0    0.036   0.796     3.037   79.286   77.037
LGA    I    24_A      I    24_A     1.271     0    0.021   0.047     1.649   77.143   81.548
LGA    G    25_A      G    25_A     1.550     0    0.152   0.152     2.228   72.976   72.976
LGA    S    26_A      S    26_A     1.456     0    0.120   0.699     1.652   81.429   81.508
LGA    K    27_A      K    27_A     1.650     0    0.054   0.854     5.070   72.857   62.593
LGA    E    28_A      E    28_A     1.501     0    0.009   0.346     2.494   77.143   74.815
LGA    N    29_A      N    29_A     1.161     0    0.077   1.094     3.080   83.690   80.893
LGA    T    30_A      T    30_A     1.652     0    0.006   0.322     2.404   75.000   71.769
LGA    K    31_A      K    31_A     1.762     0    0.019   1.101     8.038   75.000   50.794
LGA    E    32_A      E    32_A     1.044     0    0.049   1.225     4.937   83.690   69.841
LGA    G    33_A      G    33_A     0.797     0    0.005   0.005     0.861   90.476   90.476
LGA    L    34_A      L    34_A     0.853     0    0.024   0.080     1.227   90.476   85.952
LGA    A    35_A      A    35_A     0.673     0    0.034   0.048     0.766   90.476   90.476
LGA    E    36_A      E    36_A     0.751     0    0.035   0.101     1.969   90.476   83.598
LGA    L    37_A      L    37_A     0.514     0    0.029   0.093     0.762   90.476   92.857
LGA    Y    38_A      Y    38_A     0.641     0    0.020   0.229     1.081   90.476   89.762
LGA    E    39_A      E    39_A     0.867     0    0.019   0.930     3.111   88.214   79.312
LGA    Y    40_A      Y    40_A     0.942     0    0.053   0.175     2.255   85.952   80.159
LGA    K    41_A      K    41_A     0.944     0    0.029   0.853     3.131   85.952   80.000
LGA    K    42_A      K    42_A     1.345     0    0.036   0.651     3.187   77.143   76.085
LGA    K    43_A      K    43_A     1.771     0    0.047   1.058     4.608   69.048   61.481
LGA    Y    44_A      Y    44_A     2.631     0    0.321   0.384     3.513   59.048   54.841
LGA    S    45_A      S    45_A     3.399     0    0.301   0.547     4.232   45.119   45.635
LGA    D    46_A      D    46_A     6.622     0    0.539   0.942    11.312   23.095   11.726
LGA    A    47_A      A    47_A     4.940     0    0.540   0.566     5.925   41.190   37.238
LGA    D    48_A      D    48_A     1.695     0    0.579   1.360     6.778   77.381   51.548
LGA    I    49_A      I    49_A     0.783     0    0.075   0.329     1.190   85.952   87.083
LGA    E    50_A      E    50_A     0.995     0    0.044   0.816     2.579   83.690   76.878
LGA    P    51_A      P    51_A     1.684     0    0.016   0.070     1.878   72.857   72.857
LGA    F    52_A      F    52_A     1.732     0    0.018   1.149     4.278   72.857   65.022
LGA    L    53_A      L    53_A     1.215     0    0.026   0.554     2.303   79.286   78.274
LGA    K    54_A      K    54_A     1.525     0    0.029   0.591     2.176   72.976   76.720
LGA    N    55_A      N    55_A     2.613     0    0.171   0.887     5.839   59.048   47.917
LGA    S    56_A      S    56_A     2.617     0    0.071   0.571     3.410   57.143   57.222
LGA    S    57_A      S    57_A     3.037     0    0.039   0.721     5.135   53.571   49.603
LGA    Q    58_A      Q    58_A     3.634     0    0.031   1.192    10.066   48.333   28.148
LGA    F    59_A      F    59_A     3.462     0    0.018   0.067     5.249   53.571   42.771
LGA    F    60_A      F    60_A     1.610     0    0.144   0.318     2.195   75.119   79.221
LGA    Q    61_A      Q    61_A     1.317     0    0.112   0.990     5.415   81.429   63.598
LGA    S    62_A      S    62_A     1.869     0    0.060   0.079     2.299   70.833   68.810
LGA    Y    63_A      Y    63_A     1.362     0    0.051   0.154     2.318   81.429   74.444
LGA    V    64_A      V    64_A     0.444     0    0.047   1.036     2.218   92.857   85.646
LGA    E    65_A      E    65_A     1.205     0    0.030   0.967     5.879   83.690   62.804
LGA    R    66_A      R    66_A     1.404     0    0.025   1.054     4.320   81.429   72.121
LGA    G    67_A      G    67_A     0.854     0    0.091   0.091     0.888   90.476   90.476
LGA    L    68_A      L    68_A     0.414     0    0.045   0.075     1.034   95.238   91.726
LGA    R    69_A      R    69_A     0.925     0    0.035   1.330     6.944   88.214   64.632
LGA    V    70_A      V    70_A     0.230     0    0.096   1.127     3.060   92.976   83.605
LGA    I    71_A      I    71_A     1.266     0    0.042   0.651     2.493   77.381   76.250
LGA    E    72_A      E    72_A     2.144     0    0.069   0.824     5.291   66.786   55.714
LGA    M    73_A      M    73_A     1.826     0    0.024   1.013     2.874   70.833   70.119
LGA    E    74_A      E    74_A     1.856     0    0.036   0.328     1.929   72.857   74.762
LGA    R    75_A      R    75_A     2.050     0    0.047   1.048     4.661   62.857   60.260
LGA    E    76_A      E    76_A     2.693     0    0.036   0.840     4.947   55.357   49.735
LGA    G    77_A      G    77_A     2.812     0    0.342   0.342     3.518   53.690   53.690
LGA    K    78_A      K    78_A     6.135     0    0.500   1.234     8.879   23.810   13.545
LGA    G    79_A      G    79_A     9.354     0    0.194   0.194    11.260    2.262    2.262
LGA    R    80_A      R    80_A    10.183     0    0.587   1.386    21.300    3.333    1.212
LGA    I    81_A      I    81_A     6.169     0    0.586   1.362     8.973   27.262   19.048
LGA    S    82_A      S    82_A     7.329     0    0.217   0.677    11.481    7.143    5.476
LGA    T    83_A      T    83_A    10.783     0    0.606   1.191    13.426    0.714    0.476
LGA    S    84_A      S    84_A    11.975     0    0.180   0.654    13.280    0.119    0.079
LGA    T    85_A      T    85_A    12.714     0    0.585   0.717    15.628    0.714    0.408
LGA    G    86_A      G    86_A    10.631     0    0.202   0.202    10.631    0.119    0.119
LGA    I    87_A      I    87_A    10.239     0    0.184   0.711    16.809    1.905    0.952
LGA    S    88_A      S    88_A     5.930     0    0.288   0.732     6.699   23.095   23.492
LGA    P    89_A      P    89_A     5.108     0    0.241   0.407     5.998   23.810   26.395
LGA    Q    90_A      Q    90_A     6.640     0    0.049   1.217    15.627   14.405    6.720
LGA    M    91_A      M    91_A     6.462     0    0.532   1.245     9.657   12.738   13.095
LGA    E    92_A      E    92_A     7.218     0    0.431   0.474     9.002    9.524    7.037
LGA    V    93_A      V    93_A     6.720     0    0.178   1.280     9.776   20.595   13.946
LGA    T    94_A      T    94_A     7.330     0    0.115   1.178    10.477   11.071    6.735
LGA    C    95_A      C    95_A    10.335     0    0.582   1.050    11.700    0.714    0.556
LGA    V    96_A      V    96_A    14.950     0    0.096   1.133    19.148    0.000    0.000
LGA    P    97_A      P    97_A    18.305     0    0.138   0.364    20.285    0.000    0.000
LGA    T    98_A      T    98_A    23.136     0    0.101   0.191    24.192    0.000    0.000
LGA    P    99_A      P    99_A    26.699     0    0.095   0.196    29.882    0.000    0.000
LGA    T   100_A      T   100_A    30.536     0    0.207   1.347    31.476    0.000    0.000
LGA    S   101_A      S   101_A    35.203     0    0.611   0.672    38.564    0.000    0.000
LGA    T   102_A      T   102_A    34.273     0    0.595   0.702    36.181    0.000    0.000
LGA    V   103_A      V   103_A    31.384     0    0.567   1.471    32.486    0.000    0.000
LGA    S   104_A      S   104_A    31.973     0    0.049   0.767    35.169    0.000    0.000
LGA    S   105_A      S   105_A    34.177     0    0.162   0.182    35.240    0.000    0.000
LGA    I   106_A      I   106_A    35.483     0    0.043   0.227    36.560    0.000    0.000
LGA    G   107_A      G   107_A    36.875     0    0.186   0.186    37.268    0.000    0.000
LGA    N   108_A      N   108_A    38.746     0    0.025   0.918    39.630    0.000    0.000
LGA    T   109_A      T   109_A    41.873     0    0.011   0.173    42.318    0.000    0.000
LGA    N   110_A      N   110_A    44.362     0    0.109   0.150    48.268    0.000    0.000
LGA    G   111_A      G   111_A    41.824     0    0.391   0.391    42.580    0.000    0.000
LGA    E   112_A      E   112_A    40.096     0    0.034   0.781    40.952    0.000    0.000
LGA    E   113_A      E   113_A    36.045     0    0.495   1.188    37.989    0.000    0.000
LGA    V   114_A      V   114_A    35.640     0    0.114   1.042    37.054    0.000    0.000
LGA    G   115_A      G   115_A    35.708     0    0.588   0.588    36.537    0.000    0.000
LGA    P   116_A      P   116_A    38.376     0    0.031   0.069    40.176    0.000    0.000
LGA    S   117_A      S   117_A    43.141     0    0.020   0.093    45.703    0.000    0.000
LGA    V   118_A      V   118_A    39.070     0    0.049   0.911    40.080    0.000    0.000
LGA    Y   119_A      Y   119_A    36.941     0    0.025   1.379    39.226    0.000    0.000
LGA    L   120_A      L   120_A    43.271     0    0.034   0.062    46.351    0.000    0.000
LGA    E   121_A      E   121_A    44.614     0    0.030   1.180    47.522    0.000    0.000
LGA    R   122_A      R   122_A    39.079     0    0.015   1.287    40.697    0.000    0.000
LGA    L   123_A      L   123_A    40.468     0    0.012   0.134    43.090    0.000    0.000
LGA    K   124_A      K   124_A    46.950     0    0.053   0.963    57.806    0.000    0.000
LGA    I   125_A      I   125_A    44.679     0    0.000   0.056    45.380    0.000    0.000
LGA    L   126_A      L   126_A    40.226     0    0.059   1.052    42.092    0.000    0.000
LGA    R   127_A      R   127_A    45.490     0    0.070   0.973    53.058    0.000    0.000
LGA    Q   128_A      Q   128_A    49.788     0    0.055   0.720    52.952    0.000    0.000
LGA    R   129_A      R   129_A    45.356     0    0.088   1.142    46.517    0.000    0.000
LGA    C   130_A      C   130_A    45.240     0    0.182   0.171    48.382    0.000    0.000
LGA    G   131_A      G   131_A    51.884     0    0.652   0.652    52.471    0.000    0.000
LGA    L   132_A      L   132_A    53.910     0    0.569   0.504    56.570    0.000    0.000
LGA    D   133_A      D   133_A    57.372     0    0.483   1.231    59.933    0.000    0.000
LGA    N   134_A      N   134_A    61.796     0    0.205   1.242    66.040    0.000    0.000
LGA    T   135_A      T   135_A    68.266     0    0.438   0.708    69.937    0.000    0.000
LGA    K   136_A      K   136_A    72.114     0    0.254   1.150    74.419    0.000    0.000
LGA    Q   137_A      Q   137_A    79.181     0    0.271   0.365    83.374    0.000    0.000
LGA    D   138_A      D   138_A    83.153     0    0.512   0.559    86.355    0.000    0.000
LGA    D   139_A      D   139_A    88.566     0    0.059   1.162    93.489    0.000    0.000
LGA    R   140_A      R   140_A    89.153     0    0.262   1.398    93.707    0.000    0.000
LGA    P   141_A      P   141_A    87.897     0    0.160   0.537    88.855    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):    21.894         21.682                 22.119           37.311   34.179

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  141  141    4.0     67    1.98    41.844    40.560     3.216

LGA_LOCAL      RMSD:   1.983  Number of atoms:   67  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  28.339  Number of assigned atoms:  141 
Std_ASGN_ATOMS RMSD:  21.894  Standard rmsd on all 141 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.056087 * X  +  -0.676855 * Y  +   0.733977 * Z  +  -3.322302
  Y_new =  -0.654189 * X  +  -0.580261 * Y  +  -0.485112 * Z  +  -2.166090
  Z_new =   0.754248 * X  +  -0.452952 * Y  +  -0.475336 * Z  +   0.648958 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.485271 -0.854508 -2.380304   [DEG:  -85.0997  -48.9597 -136.3814 ]
ZXZ:  0.986772  2.066142  2.111608   [DEG:   56.5378  118.3812  120.9862 ]
 
# END of job
