
#######################################################
#                                                     #
#                        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  207 ( 1714),  selected  207 , name one
# Molecule2: number of CA atoms  207 ( 1714),  selected  207 , 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:    60      77_A - 136_A       5.00    19.61
  LONGEST_CONTINUOUS_SEGMENT:    60      78_A - 137_A       4.96    19.56
  LCS_AVERAGE:     21.66

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    31     146_A - 176_A       1.89    27.55
  LCS_AVERAGE:      8.43

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    23     146_A - 168_A       0.88    28.36
  LONGEST_CONTINUOUS_SEGMENT:    23     147_A - 169_A       1.00    28.19
  LCS_AVERAGE:      5.63

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  207
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     G     1_A     G     1_A      3    4   18      0    3    3    3    4    7    8   10   13   14   14   20   21   24   26   28   30   31   32   33 
LCS_GDT     I     2_A     I     2_A      8    9   18      5    8    8    8    8    8    9   10   13   14   16   20   21   24   26   28   30   31   32   34 
LCS_GDT     D     3_A     D     3_A      8    9   18      5    8    8    8    8    8    9   10   13   14   16   20   21   24   33   35   38   39   44   47 
LCS_GDT     P     4_A     P     4_A      8    9   18      5    8    8    8    8    8    9   10   15   17   22   24   31   33   35   43   46   47   53   53 
LCS_GDT     F     5_A     F     5_A      8    9   18      5    8    8    8    8    8    9   15   17   21   23   28   33   37   39   43   48   54   55   58 
LCS_GDT     T     6_A     T     6_A      8    9   18      5    8    8    8    8    8    9   15   17   17   21   27   33   37   39   43   48   54   55   56 
LCS_GDT     W     7_A     W     7_A      8    9   18      5    8    8    8    8    8    9   10   13   14   14   15   27   37   39   45   48   54   56   58 
LCS_GDT     G     8_A     G     8_A      8    9   18      5    8    8    8   12   12   15   20   24   28   31   34   38   42   50   55   59   64   69   72 
LCS_GDT     F     9_A     F     9_A      8    9   18      5    8    8    8   12   12   15   20   24   28   31   34   38   42   50   55   59   64   69   75 
LCS_GDT     G    10_A     G    10_A      3    9   18      3    3    4    5    8   11   16   18   24   27   31   34   38   42   50   55   59   64   75   84 
LCS_GDT     G    11_A     G    11_A      4    6   18      4    4    5    6    7    8    9   10   21   28   30   33   37   40   50   55   65   71   80   90 
LCS_GDT     S    12_A     S    12_A      4    6   18      4    4    5    6   10   12   15   19   22   26   28   37   42   51   57   70   75   80   88   96 
LCS_GDT     S    13_A     S    13_A      4    6   22      4    4    5    6    7    7    8   10   13   14   14   28   36   40   44   51   57   66   80   90 
LCS_GDT     K    14_A     K    14_A      4    6   23      4    4    5    6    7    7    8   11   16   26   28   37   40   42   46   58   72   76   88   96 
LCS_GDT     E    15_A     E    15_A      5    6   23      4    5    6    7   10   12   15   18   22   26   30   37   40   42   50   59   72   79   88   96 
LCS_GDT     K    16_A     K    16_A      5    6   23      4    5    6    7   10   12   15   18   22   26   30   37   40   42   52   61   72   80   88   96 
LCS_GDT     P    17_A     P    17_A      5   15   23      4    5    6    7   10   15   15   18   22   26   30   37   40   42   52   62   72   79   88   96 
LCS_GDT     N    18_A     N    18_A     14   15   23      9   13   14   14   15   17   18   18   22   26   28   33   36   42   46   53   72   76   84   96 
LCS_GDT     Y    19_A     Y    19_A     14   15   23      9   13   14   14   15   17   18   18   20   26   28   33   36   41   46   51   68   76   84   96 
LCS_GDT     D    20_A     D    20_A     14   15   23      6   13   14   14   15   17   18   18   20   20   22   27   30   33   36   38   53   60   65   72 
LCS_GDT     Y    21_A     Y    21_A     14   15   23      9   13   14   14   15   17   18   18   18   19   22   26   30   41   49   66   73   77   82   86 
LCS_GDT     S    22_A     S    22_A     14   15   23      8   13   14   14   15   17   18   18   18   19   22   26   30   33   36   38   41   44   45   47 
LCS_GDT     A    23_A     A    23_A     14   15   23      7   13   14   14   15   17   18   18   18   19   22   26   30   33   36   38   41   44   45   48 
LCS_GDT     D    24_A     D    24_A     14   15   23      9   13   14   14   15   17   18   18   18   19   22   42   44   53   59   66   73   79   87   92 
LCS_GDT     K    25_A     K    25_A     14   15   23      9   13   14   14   15   17   18   18   18   19   22   26   44   47   50   57   65   77   82   83 
LCS_GDT     K    26_A     K    26_A     14   15   23      9   13   14   14   15   17   18   18   18   19   22   26   30   33   36   38   41   44   75   79 
LCS_GDT     L    27_A     L    27_A     14   15   23      9   13   14   14   15   17   18   18   18   19   23   42   44   47   59   66   73   77   82   86 
LCS_GDT     I    28_A     I    28_A     14   15   23      9   13   14   14   15   17   18   18   18   19   24   28   36   47   50   57   65   71   82   85 
LCS_GDT     E    29_A     E    29_A     14   15   23      9   13   14   14   15   17   18   18   18   19   20   23   33   41   45   50   53   58   60   71 
LCS_GDT     I    30_A     I    30_A     14   15   23      6   13   14   14   15   17   18   18   18   19   20   23   33   41   45   50   53   66   67   79 
LCS_GDT     N    31_A     N    31_A     14   15   23      4    6   12   14   14   17   18   18   18   19   22   25   33   41   45   50   65   69   75   79 
LCS_GDT     T    32_A     T    32_A      5   15   23      4    4    6    7    7    8   14   15   17   18   19   23   23   25   27   31   52   54   57   60 
LCS_GDT     R    33_A     R    33_A      5    8   23      4    5    6    7    7    9   13   14   17   18   19   24   29   32   36   38   52   54   57   60 
LCS_GDT     P    34_A     P    34_A      5    8   23      4    5    6    7    7   10   13   14   17   19   22   26   33   41   45   49   58   66   67   71 
LCS_GDT     I    35_A     I    35_A      5    8   23      4    5    6    7    7   10   13   14   16   25   29   33   44   53   60   69   74   80   83   87 
LCS_GDT     S    36_A     S    36_A      5    8   23      4    5    6    7    8   12   20   28   34   39   42   50   59   65   69   74   78   83   90   93 
LCS_GDT     T    37_A     T    37_A      5    9   22      4    5    5    7   13   20   25   35   37   42   47   54   59   65   69   74   78   84   90   95 
LCS_GDT     D    38_A     D    38_A      5    9   22      4    4    6   12   15   22   27   35   41   45   50   54   59   66   69   75   81   87   91   99 
LCS_GDT     N    39_A     N    39_A      7    9   22      5    7    8   12   15   22   27   34   44   51   55   58   63   66   70   75   81   87   91   99 
LCS_GDT     A    40_A     A    40_A      7    9   48      4    7    8    8   13   21   26   35   41   45   50   58   61   66   70   75   81   87   91   99 
LCS_GDT     K    41_A     K    41_A      7    9   53      5    7    8    8   14   21   26   34   40   44   49   58   61   64   68   74   80   85   90   97 
LCS_GDT     Y    42_A     Y    42_A      7    9   53      4    8   11   16   26   30   36   39   44   51   55   58   62   66   70   74   80   85   91   99 
LCS_GDT     W    43_A     W    43_A      7    9   53      5    7   11   18   26   30   36   39   45   51   55   58   63   66   70   74   81   87   91   99 
LCS_GDT     C    44_A     C    44_A      7    9   53      5    7    8    8   17   24   29   35   39   44   48   52   56   64   66   74   77   85   89   94 
LCS_GDT     F    45_A     F    45_A      7    9   53      5    7    8    8    9   10   13   17   20   26   35   43   48   51   55   60   66   72   77   86 
LCS_GDT     D    46_A     D    46_A      4    8   53      3    4    5    7    9   12   15   19   26   30   37   44   48   51   55   60   66   72   77   86 
LCS_GDT     K    47_A     K    47_A      4    7   53      3    4    5    7    9   12   14   17   20   24   27   29   33   38   44   51   57   62   68   72 
LCS_GDT     G    48_A     G    48_A      4    7   53      3    4    5    7    9   12   14   17   20   21   26   28   33   34   44   45   49   61   68   72 
LCS_GDT     N    49_A     N    49_A      3    7   54      3    3    4    5    7   10   15   19   22   30   37   44   48   51   55   60   66   70   79   86 
LCS_GDT     D    50_A     D    50_A      3    7   55      3    3    4   14   24   27   31   33   33   34   40   44   48   51   56   61   70   76   86   91 
LCS_GDT     L    51_A     L    51_A      3    7   55      3    8   13   19   26   30   36   39   45   51   55   58   63   66   70   75   81   87   91   99 
LCS_GDT     G    52_A     G    52_A      4    7   55      4    8   11   18   26   30   36   39   45   51   55   58   63   66   70   74   81   87   91   99 
LCS_GDT     C    53_A     C    53_A      4   27   55      3    8   13   19   26   30   36   39   45   51   55   58   63   66   70   75   81   87   91   99 
LCS_GDT     L    54_A     L    54_A      4   30   55      3    3    5   22   26   32   36   39   45   51   55   58   63   66   70   75   81   87   91   99 
LCS_GDT     S    55_A     S    55_A     22   30   55      4   15   21   23   28   32   34   36   40   50   55   58   63   66   70   75   81   87   91   99 
LCS_GDT     L    56_A     L    56_A     22   30   55     10   16   21   23   28   32   34   37   42   50   55   58   63   66   70   74   81   85   91   99 
LCS_GDT     E    57_A     E    57_A     22   30   55     10   16   21   23   28   32   34   37   42   50   55   58   63   66   70   74   81   85   91   99 
LCS_GDT     K    58_A     K    58_A     22   30   55      8   16   21   23   28   32   34   39   45   51   55   58   63   66   70   75   81   87   91   99 
LCS_GDT     L    59_A     L    59_A     22   30   55     10   16   21   23   28   32   36   39   45   51   55   58   63   66   70   74   81   87   91   99 
LCS_GDT     E    60_A     E    60_A     22   30   55     10   16   21   23   28   32   36   39   45   51   55   58   63   66   70   74   80   85   91   99 
LCS_GDT     A    61_A     A    61_A     22   30   55     10   16   21   23   28   32   36   39   45   51   55   58   63   66   70   74   80   85   91   99 
LCS_GDT     L    62_A     L    62_A     22   30   55     10   16   21   23   28   32   36   39   45   51   55   58   63   66   70   74   80   85   91   99 
LCS_GDT     E    63_A     E    63_A     22   30   55     10   16   21   23   28   32   36   39   45   51   55   58   63   66   70   74   80   85   90   97 
LCS_GDT     S    64_A     S    64_A     22   30   55     10   16   21   23   28   32   36   39   45   51   55   58   63   66   70   74   80   85   90   97 
LCS_GDT     K    65_A     K    65_A     22   30   55     10   16   21   23   28   32   36   39   45   51   55   58   63   66   70   74   80   85   87   97 
LCS_GDT     D    66_A     D    66_A     22   30   55     10   16   21   23   28   32   36   39   45   51   55   58   63   66   70   74   80   85   90   97 
LCS_GDT     L    67_A     L    67_A     22   30   55      7   16   21   23   28   32   36   39   45   51   55   58   63   66   70   74   80   85   90   97 
LCS_GDT     K    68_A     K    68_A     22   30   55      7   16   21   23   28   32   36   39   45   51   55   58   63   66   70   74   80   85   90   97 
LCS_GDT     K    69_A     K    69_A     22   30   55      7   12   21   23   28   32   36   39   45   51   55   58   63   66   70   74   80   85   90   97 
LCS_GDT     V    70_A     V    70_A     22   30   55      7   16   21   23   28   32   36   39   45   51   55   58   63   66   70   74   81   87   91   99 
LCS_GDT     V    71_A     V    71_A     22   30   55      7   16   21   23   28   32   36   39   45   51   55   58   63   66   70   74   81   87   91   99 
LCS_GDT     K    72_A     K    72_A     22   30   55      7   13   21   23   28   32   36   39   45   51   55   58   63   66   70   74   81   85   91   99 
LCS_GDT     F    73_A     F    73_A     22   30   55      7   12   21   22   26   32   36   39   45   51   55   58   63   66   70   75   81   87   91   99 
LCS_GDT     Y    74_A     Y    74_A     22   30   55      7   16   21   23   28   32   36   39   45   51   55   58   63   66   70   75   81   87   91   99 
LCS_GDT     E    75_A     E    75_A     22   30   55      6   16   21   23   28   32   36   39   45   51   55   58   63   66   70   75   81   87   91   99 
LCS_GDT     K    76_A     K    76_A     22   30   55      4   10   21   23   28   32   36   39   45   51   55   58   63   66   70   75   81   87   91   99 
LCS_GDT     T    77_A     T    77_A     11   30   60      5   10   17   23   28   32   36   39   45   51   55   58   63   66   70   75   81   87   91   99 
LCS_GDT     I    78_A     I    78_A     11   30   60      5   10   17   23   28   32   36   39   45   51   55   58   63   66   70   75   81   87   91   99 
LCS_GDT     P    79_A     P    79_A     11   30   60      5   10   17   22   28   32   36   39   45   51   55   58   63   66   70   75   81   87   91   99 
LCS_GDT     E    80_A     E    80_A     11   30   60      4   10   14   22   28   32   36   39   45   51   55   58   63   66   70   75   81   87   91   99 
LCS_GDT     Y    81_A     Y    81_A     11   30   60      5   10   15   22   28   32   36   39   45   51   55   58   63   66   70   75   81   87   91   99 
LCS_GDT     C    82_A     C    82_A     11   30   60      5   10   15   22   28   32   36   39   45   51   55   58   63   66   70   75   81   87   91   99 
LCS_GDT     Y    83_A     Y    83_A     11   30   60      4    8   14   22   28   32   36   39   45   51   55   58   63   66   70   75   81   87   91   99 
LCS_GDT     D    84_A     D    84_A      8   29   60      3    4    9   17   24   30   36   39   45   51   55   58   63   66   70   75   81   87   91   99 
LCS_GDT     K    85_A     K    85_A      5   16   60      3    4    9   16   19   23   29   38   45   51   55   58   63   66   70   75   81   87   91   99 
LCS_GDT     K    86_A     K    86_A      5   13   60      1    4    5    7   13   20   27   38   44   51   55   58   63   66   70   75   81   87   91   99 
LCS_GDT     F    87_A     F    87_A      5    7   60      3    3    9   13   16   22   27   35   44   51   55   58   63   66   70   75   81   87   91   99 
LCS_GDT     A    88_A     A    88_A      5    7   60      3    4    5   10   13   20   25   34   44   51   55   58   63   66   70   75   81   87   91   99 
LCS_GDT     P    89_A     P    89_A      5    7   60      3    4    6    6    9   12   14   22   29   36   41   45   59   65   69   74   79   87   90   97 
LCS_GDT     A    90_A     A    90_A      3    7   60      3    4    5    6    8   12   17   32   36   40   44   52   61   65   70   74   81   87   91   99 
LCS_GDT     C    91_A     C    91_A      4    5   60      3    4    9   18   24   30   36   39   45   51   55   58   63   66   70   75   81   87   91   99 
LCS_GDT     N    92_A     N    92_A      4    5   60      3    4    9   18   22   30   36   39   45   51   55   58   63   66   70   75   81   87   91   99 
LCS_GDT     I    93_A     I    93_A      4    5   60      3    3    4    6   17   25   32   38   45   51   55   58   63   66   70   75   81   87   91   99 
LCS_GDT     P    94_A     P    94_A      4   15   60      3    3    6   21   28   32   34   39   45   51   55   58   63   66   70   75   81   87   91   99 
LCS_GDT     A    95_A     A    95_A      5   15   60      3    4    5   16   25   32   34   37   45   51   55   58   63   66   70   75   81   87   91   99 
LCS_GDT     I    96_A     I    96_A      5   15   60      4    5    6   18   26   30   36   39   45   51   55   58   63   66   70   75   81   87   91   99 
LCS_GDT     D    97_A     D    97_A      5   15   60      4    4    5   11   15   18   21   30   45   51   55   58   63   66   70   74   80   85   91   99 
LCS_GDT     L    98_A     L    98_A     11   15   60      4    7   12   14   16   20   32   36   39   42   53   57   63   66   70   74   80   87   91   99 
LCS_GDT     I    99_A     I    99_A     11   15   60      8   10   12   15   17   23   27   35   39   45   50   56   63   66   70   75   81   87   91   99 
LCS_GDT     Q   100_A     Q   100_A     11   15   60      8   10   12   15   17   23   27   35   41   45   50   54   59   66   69   75   81   87   91   99 
LCS_GDT     Q   101_A     Q   101_A     11   15   60      8   10   12   15   18   27   32   36   41   45   53   58   63   66   70   75   81   87   91   99 
LCS_GDT     K   102_A     K   102_A     11   15   60      8   10   12   15   17   23   27   35   41   45   50   54   59   66   69   75   81   87   91   99 
LCS_GDT     L   103_A     L   103_A     11   15   60      8   10   12   15   17   23   27   35   41   45   50   54   59   66   69   75   81   87   91   99 
LCS_GDT     S   104_A     S   104_A     11   15   60      8   10   12   15   17   23   27   35   41   45   50   54   59   66   69   75   81   87   91   99 
LCS_GDT     Y   105_A     Y   105_A     11   15   60      8   10   12   15   17   23   27   35   41   45   50   54   59   66   69   75   81   87   91   99 
LCS_GDT     Y   106_A     Y   106_A     11   15   60      8   10   12   15   16   22   27   33   41   45   50   54   59   66   69   75   81   87   91   99 
LCS_GDT     V   107_A     V   107_A     11   15   60      6   10   12   15   16   22   25   33   41   45   50   52   59   66   69   75   81   87   91   99 
LCS_GDT     R   108_A     R   108_A     11   15   60      6   10   12   15   16   22   27   35   41   45   50   54   59   66   69   75   81   87   91   99 
LCS_GDT     N   109_A     N   109_A      3   12   60      4    6   10   12   17   22   27   35   41   45   50   54   59   66   69   75   81   87   91   99 
LCS_GDT     D   110_A     D   110_A      3    4   60      4    4    4    5   16   22   27   35   41   45   50   54   59   66   69   75   81   87   91   99 
LCS_GDT     I   111_A     I   111_A      4    5   60      3    3    8   12   16   20   27   35   41   45   50   54   59   66   69   75   81   87   91   99 
LCS_GDT     D   112_A     D   112_A      4    5   60      3    3    4    5   16   18   24   28   35   39   47   53   59   66   69   75   81   87   91   99 
LCS_GDT     N   113_A     N   113_A      4    5   60      3    4    4    9   16   18   25   31   37   41   48   54   59   66   69   75   81   87   91   99 
LCS_GDT     K   114_A     K   114_A      4    6   60      3    4    5   10   12   15   26   31   38   43   50   54   59   66   69   75   81   87   91   99 
LCS_GDT     T   115_A     T   115_A      9   18   60      4    9   11   15   19   24   27   35   41   45   50   54   59   66   69   75   81   87   91   99 
LCS_GDT     I   116_A     I   116_A     15   18   60      4   14   15   17   19   24   27   34   41   45   50   52   59   66   69   74   81   87   91   99 
LCS_GDT     K   117_A     K   117_A     15   18   60      4    5    9   15   16   24   26   35   41   45   50   54   59   66   69   75   81   87   91   99 
LCS_GDT     T   118_A     T   118_A     15   19   60     10   14   15   17   19   24   27   35   41   45   50   54   59   66   69   75   81   87   91   99 
LCS_GDT     F   119_A     F   119_A     15   19   60     12   14   15   17   19   24   27   34   41   45   50   54   59   66   69   74   81   86   91   99 
LCS_GDT     Y   120_A     Y   120_A     15   19   60     12   14   15   17   19   24   26   34   41   45   50   54   59   66   69   75   81   87   91   99 
LCS_GDT     S   121_A     S   121_A     15   19   60     12   14   15   17   19   24   27   35   41   45   50   54   59   66   69   75   81   87   91   99 
LCS_GDT     D   122_A     D   122_A     15   19   60     12   14   15   17   19   24   27   35   41   45   50   54   59   66   69   75   81   87   91   99 
LCS_GDT     Y   123_A     Y   123_A     15   19   60     12   14   15   17   19   24   27   35   41   45   50   54   59   66   69   75   81   87   91   99 
LCS_GDT     A   124_A     A   124_A     15   19   60     12   14   15   17   19   24   27   35   41   45   50   54   59   66   69   75   81   87   91   99 
LCS_GDT     K   125_A     K   125_A     15   19   60     12   14   15   17   19   24   27   35   41   45   50   54   59   66   69   75   81   87   91   99 
LCS_GDT     A   126_A     A   126_A     15   19   60     12   14   15   17   19   24   27   35   41   45   50   54   59   66   69   75   81   87   91   99 
LCS_GDT     L   127_A     L   127_A     15   19   60     12   14   15   17   19   24   27   35   41   45   50   54   59   66   69   75   81   87   91   99 
LCS_GDT     S   128_A     S   128_A     15   19   60     12   14   15   17   19   24   27   35   41   45   50   54   59   66   69   75   81   87   91   99 
LCS_GDT     E   129_A     E   129_A     15   19   60     12   14   15   17   19   24   27   35   41   45   50   54   59   66   69   75   81   87   91   99 
LCS_GDT     S   130_A     S   130_A     15   19   60     12   14   15   17   19   24   27   35   41   45   50   54   59   66   69   75   81   87   91   99 
LCS_GDT     K   131_A     K   131_A     14   19   60      3    9   15   17   19   24   27   35   41   45   50   54   63   66   70   75   81   87   91   99 
LCS_GDT     A   132_A     A   132_A      6   19   60      3    6    7   13   16   20   26   35   41   45   50   58   63   66   70   75   81   87   91   99 
LCS_GDT     D   133_A     D   133_A      6   19   60      3    6   12   15   25   32   34   39   45   51   55   58   63   66   70   75   81   87   91   99 
LCS_GDT     V   134_A     V   134_A      6   19   60      3    6    6    9   15   23   34   37   42   50   55   58   63   66   70   75   81   87   91   99 
LCS_GDT     K   135_A     K   135_A      6   19   60      3   13   15   17   19   24   26   35   41   45   50   58   63   66   70   75   81   87   91   99 
LCS_GDT     M   136_A     M   136_A      6   19   60      3    9   15   17   19   24   32   36   41   45   52   58   63   66   70   75   81   87   91   99 
LCS_GDT     L   137_A     L   137_A      4   10   60      3    4    5    8   18   27   32   36   39   45   49   58   63   66   70   75   81   87   91   99 
LCS_GDT     E   138_A     E   138_A      6   10   53      3    3    7    8   11   15   26   36   38   42   46   51   59   65   70   74   77   85   91   99 
LCS_GDT     Y   139_A     Y   139_A      6   10   50      4    5    7   14   16   24   26   28   30   41   46   51   59   60   65   74   77   85   91   99 
LCS_GDT     G   140_A     G   140_A      6   10   48      4    5    7   14   17   24   26   28   31   41   46   51   54   59   65   73   77   83   91   97 
LCS_GDT     C   141_A     C   141_A      6   10   48      4    5    7   14   18   24   26   28   30   34   46   51   54   59   63   68   76   79   86   93 
LCS_GDT     N   142_A     N   142_A      6   10   48      4    5    7    8   16   24   26   28   30   36   46   51   54   59   63   67   74   79   84   93 
LCS_GDT     E   143_A     E   143_A      6   10   48      4    5    7    8   12   20   26   28   30   35   44   49   54   59   63   67   71   76   83   92 
LCS_GDT     L   144_A     L   144_A      5   10   48      4    5    7    8   12   20   26   28   30   34   38   49   54   59   63   67   71   79   84   92 
LCS_GDT     K   145_A     K   145_A      5   27   48      4    5    7   14   19   24   26   28   30   39   44   51   54   59   63   69   76   79   86   93 
LCS_GDT     S   146_A     S   146_A     23   31   48      8   19   22   25   27   28   31   33   35   41   47   51   59   66   70   74   77   85   91   99 
LCS_GDT     A   147_A     A   147_A     23   31   48      7   19   22   23   26   28   32   36   38   42   46   51   54   59   63   67   73   79   85   91 
LCS_GDT     Y   148_A     Y   148_A     23   31   46      9   19   22   25   27   28   31   33   34   40   46   51   54   59   63   67   74   79   85   93 
LCS_GDT     I   149_A     I   149_A     23   31   45      9   19   22   25   27   28   31   33   33   35   37   43   49   55   60   64   71   75   78   87 
LCS_GDT     C   150_A     C   150_A     23   31   45      9   19   22   25   27   28   31   33   33   37   39   44   51   55   57   64   70   74   78   82 
LCS_GDT     R   151_A     R   151_A     23   31   45      8   19   22   25   27   28   31   33   33   37   39   44   49   54   55   61   69   74   78   82 
LCS_GDT     D   152_A     D   152_A     23   31   45      8   19   22   25   27   28   31   33   33   35   37   39   42   47   55   59   64   68   71   74 
LCS_GDT     L   153_A     L   153_A     23   31   45      9   19   22   25   27   28   31   33   33   35   37   39   42   47   53   59   64   68   71   74 
LCS_GDT     R   154_A     R   154_A     23   31   45      9   19   22   25   27   28   31   33   33   35   37   40   46   49   55   59   64   68   71   74 
LCS_GDT     D   155_A     D   155_A     23   31   45      9   19   22   25   27   28   31   33   33   35   37   39   44   47   55   59   64   68   71   74 
LCS_GDT     M   156_A     M   156_A     23   31   45      9   19   22   25   27   28   31   33   33   35   37   39   42   44   50   57   64   68   71   74 
LCS_GDT     Y   157_A     Y   157_A     23   31   45      9   19   22   25   27   28   31   33   33   35   37   39   42   44   49   57   61   68   71   74 
LCS_GDT     K   158_A     K   158_A     23   31   45      9   19   22   25   27   28   31   33   33   35   37   39   42   44   50   57   64   68   71   74 
LCS_GDT     Y   159_A     Y   159_A     23   31   45      7   19   22   25   27   28   31   33   33   35   37   39   42   44   50   57   64   68   71   74 
LCS_GDT     L   160_A     L   160_A     23   31   45      9   19   22   25   27   28   31   33   33   35   37   39   42   44   47   51   55   63   68   74 
LCS_GDT     G   161_A     G   161_A     23   31   45      9   19   22   25   27   28   31   33   33   35   37   39   42   44   47   51   57   63   67   74 
LCS_GDT     D   162_A     D   162_A     23   31   45     10   19   22   25   27   28   31   33   33   35   37   39   42   44   47   51   55   57   67   73 
LCS_GDT     K   163_A     K   163_A     23   31   45     11   17   22   25   27   28   31   33   33   35   37   39   42   44   47   51   57   63   71   74 
LCS_GDT     E   164_A     E   164_A     23   31   45     11   15   22   25   27   28   31   33   33   34   34   36   40   42   45   48   52   56   63   70 
LCS_GDT     K   165_A     K   165_A     23   31   45     11   18   22   25   27   28   31   33   33   34   37   39   41   44   47   51   55   63   71   74 
LCS_GDT     T   166_A     T   166_A     23   31   45     11   19   22   25   27   28   31   33   33   35   37   39   42   47   53   59   64   68   71   74 
LCS_GDT     K   167_A     K   167_A     23   31   45     11   19   22   25   27   28   31   33   33   35   37   39   42   47   55   59   64   68   71   74 
LCS_GDT     E   168_A     E   168_A     23   31   45     11   15   20   25   27   28   31   33   33   34   37   39   40   44   52   59   64   68   71   74 
LCS_GDT     Y   169_A     Y   169_A     23   31   45     11   15   20   25   27   28   31   33   33   35   37   39   46   49   55   59   64   68   74   77 
LCS_GDT     N   170_A     N   170_A     20   31   45     11   15   20   25   27   28   31   33   33   35   37   41   46   49   55   59   66   68   74   77 
LCS_GDT     D   171_A     D   171_A     20   31   45     11   15   20   25   27   28   31   33   33   35   37   41   46   49   55   63   67   70   74   77 
LCS_GDT     K   172_A     K   172_A     20   31   45      8   15   20   23   27   28   31   33   33   37   39   44   49   54   57   63   69   74   78   83 
LCS_GDT     M   173_A     M   173_A     20   31   45     11   15   20   23   26   28   31   33   33   37   43   48   51   54   61   63   70   74   79   83 
LCS_GDT     K   174_A     K   174_A     20   31   45     11   15   20   24   27   28   31   33   33   37   39   45   49   54   61   63   69   73   77   82 
LCS_GDT     N   175_A     N   175_A     20   31   45      5   15   18   23   25   27   31   33   33   37   43   48   52   59   61   65   70   75   82   88 
LCS_GDT     G   176_A     G   176_A     20   31   45      7   15   18   23   24   26   28   32   33   37   45   49   59   61   70   73   77   81   87   91 
LCS_GDT     D   177_A     D   177_A      6   27   45      3    6    7    9   10   17   28   30   31   33   34   43   51   65   70   74   80   85   91   97 
LCS_GDT     E   178_A     E   178_A      6   10   45      4    6    7    9   15   23   31   38   45   51   55   58   63   66   70   75   81   87   91   99 
LCS_GDT     K   179_A     K   179_A      6   10   45      4    6    6    9   10   12   15   19   24   34   41   52   58   63   69   75   81   87   91   99 
LCS_GDT     W   180_A     W   180_A      6   10   45      4    6    7    9   10   12   15   19   26   33   34   41   49   56   64   70   80   85   91   99 
LCS_GDT     N   181_A     N   181_A      6   10   45      4    6    7    9   12   25   32   38   45   51   55   58   63   66   70   75   81   87   91   99 
LCS_GDT     S   182_A     S   182_A      6   10   45      4    5    9   13   16   20   25   28   35   42   47   58   61   64   70   74   81   87   90   99 
LCS_GDT     V   183_A     V   183_A      6   10   45      4    5    9   13   16   20   23   28   35   38   43   55   61   64   70   74   80   85   90   97 
LCS_GDT     L   184_A     L   184_A      6    8   45      4    5    9   13   16   20   23   28   35   39   47   58   61   65   70   75   81   87   90   99 
LCS_GDT     Y   185_A     Y   185_A      6    8   45      4    5    9   21   23   25   28   31   40   46   55   58   61   65   70   75   81   87   91   99 
LCS_GDT     D   186_A     D   186_A      6    8   45      3    5    9   16   22   24   28   31   42   50   55   58   61   65   70   74   80   87   91   99 
LCS_GDT     Y   187_A     Y   187_A      6    8   45      4    4   16   21   23   25   28   30   31   38   42   54   59   65   70   74   80   85   90   97 
LCS_GDT     K   188_A     K   188_A      4    8   45      4    4    7   16   22   24   30   37   45   51   55   58   63   66   70   74   80   87   91   99 
LCS_GDT     H   189_A     H   189_A      4    8   45      4    4    7    9   12   13   30   37   45   51   55   58   63   66   70   75   81   87   91   99 
LCS_GDT     M   190_A     M   190_A      4    7   45      4    4    5    7    8   28   31   37   45   51   55   58   63   66   70   75   81   87   91   99 
LCS_GDT     R   191_A     R   191_A      4    6   45      4    4    5   10   15   22   36   39   45   51   55   58   63   66   70   75   81   87   91   99 
LCS_GDT     Y   192_A     Y   192_A      4    6   43      4    4    5    7    7    7   11   13   15   19   25   30   46   55   61   70   78   85   90   99 
LCS_GDT     I   193_A     I   193_A      3    6   18      3    3    4    5    5    7   10   13   16   35   36   47   54   58   64   70   78   85   90   99 
LCS_GDT     H   194_A     H   194_A      4    6   18      4    5    5    7    9    9   11   13   15   17   21   24   26   32   37   44   50   69   72   79 
LCS_GDT     G   195_A     G   195_A      4    6   18      4    5    5    5    9   10   12   15   16   22   26   31   34   37   39   46   56   69   72   79 
LCS_GDT     G   196_A     G   196_A      4   12   18      4    5    5    5    7   11   11   12   13   13   14   18   28   37   38   42   44   48   53   67 
LCS_GDT     Y   197_A     Y   197_A     10   12   18      4   10   10   10   11   11   11   13   15   17   21   24   26   28   30   34   43   46   50   55 
LCS_GDT     S   198_A     S   198_A     10   12   18      6   10   10   10   11   11   11   13   15   17   21   24   26   28   34   39   43   48   53   55 
LCS_GDT     S   199_A     S   199_A     10   12   18      4   10   10   10   11   11   11   12   13   14   19   22   25   28   30   33   34   36   40   40 
LCS_GDT     W   200_A     W   200_A     10   12   18      4   10   10   10   11   11   11   12   13   15   17   20   21   25   30   33   34   36   40   40 
LCS_GDT     W   201_A     W   201_A     10   12   18      6   10   10   10   11   11   11   12   13   17   21   24   26   28   30   33   34   36   48   52 
LCS_GDT     L   202_A     L   202_A     10   12   18      6   10   10   10   11   11   12   13   15   17   21   24   26   28   30   33   34   36   40   40 
LCS_GDT     L   203_A     L   203_A     10   12   18      6   10   10   10   11   11   12   13   15   17   21   24   26   28   30   33   34   36   40   40 
LCS_GDT     E   204_A     E   204_A     10   12   18      6   10   10   10   11   11   12   13   15   17   21   24   26   28   30   33   34   36   40   40 
LCS_GDT     K   205_A     K   205_A     10   12   18      6   10   10   10   11   11   12   13   13   16   18   24   26   28   30   33   34   36   40   40 
LCS_GDT     I   206_A     I   206_A     10   12   16      6   10   10   10   11   12   12   13   15   17   21   24   26   26   30   33   34   36   40   40 
LCS_GDT     K   207_A     K   207_A      7   12   16      0    3    3    7   11   12   12   13   15   17   21   24   26   28   30   30   33   34   37   39 
LCS_AVERAGE  LCS_A:  11.91  (   5.63    8.43   21.66 )

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     12     19     22     25     28     32     36     39     45     51     55     58     63     66     70     75     81     87     91     99 
GDT PERCENT_AT   5.80   9.18  10.63  12.08  13.53  15.46  17.39  18.84  21.74  24.64  26.57  28.02  30.43  31.88  33.82  36.23  39.13  42.03  43.96  47.83
GDT RMS_LOCAL    0.24   0.60   0.77   1.17   1.71   1.88   2.25   2.49   2.98   3.28   3.52   3.89   4.14   4.34   4.59   5.43   5.70   6.04   6.40   6.72
GDT RMS_ALL_AT  21.08  28.31  28.42  28.08  18.71  18.70  20.16  19.95  19.59  19.72  19.75  19.98  19.18  19.15  19.05  19.09  19.21  19.20  18.83  19.11

# Checking swapping
#   possible swapping detected:  F     5_A      F     5_A
#   possible swapping detected:  D    20_A      D    20_A
#   possible swapping detected:  Y    21_A      Y    21_A
#   possible swapping detected:  E    29_A      E    29_A
#   possible swapping detected:  D    38_A      D    38_A
#   possible swapping detected:  D    50_A      D    50_A
#   possible swapping detected:  F    73_A      F    73_A
#   possible swapping detected:  Y    74_A      Y    74_A
#   possible swapping detected:  E    75_A      E    75_A
#   possible swapping detected:  F    87_A      F    87_A
#   possible swapping detected:  D    97_A      D    97_A
#   possible swapping detected:  Y   105_A      Y   105_A
#   possible swapping detected:  Y   106_A      Y   106_A
#   possible swapping detected:  D   110_A      D   110_A
#   possible swapping detected:  D   112_A      D   112_A
#   possible swapping detected:  Y   120_A      Y   120_A
#   possible swapping detected:  D   152_A      D   152_A
#   possible swapping detected:  Y   159_A      Y   159_A
#   possible swapping detected:  D   162_A      D   162_A
#   possible swapping detected:  E   164_A      E   164_A
#   possible swapping detected:  E   168_A      E   168_A
#   possible swapping detected:  D   177_A      D   177_A
#   possible swapping detected:  Y   185_A      Y   185_A
#   possible swapping detected:  Y   187_A      Y   187_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     1_A      G     1_A    46.218     0    0.122   0.122    46.218    0.000    0.000
LGA    I     2_A      I     2_A    44.597     0    0.613   0.608    45.156    0.000    0.000
LGA    D     3_A      D     3_A    42.303     0    0.031   0.121    42.941    0.000    0.000
LGA    P     4_A      P     4_A    39.215     0    0.055   0.345    42.966    0.000    0.000
LGA    F     5_A      F     5_A    35.562     0    0.209   1.300    37.948    0.000    0.000
LGA    T     6_A      T     6_A    33.474     0    0.128   1.127    36.743    0.000    0.000
LGA    W     7_A      W     7_A    32.127     0    0.050   0.260    36.754    0.000    0.000
LGA    G     8_A      G     8_A    29.635     0    0.057   0.057    30.837    0.000    0.000
LGA    F     9_A      F     9_A    27.128     0    0.406   1.072    28.314    0.000    0.000
LGA    G    10_A      G    10_A    26.766     0    0.181   0.181    26.967    0.000    0.000
LGA    G    11_A      G    11_A    25.057     0    0.709   0.709    25.579    0.000    0.000
LGA    S    12_A      S    12_A    19.950     0    0.110   0.172    21.682    0.000    0.000
LGA    S    13_A      S    13_A    20.848     0    0.081   0.602    22.619    0.000    0.000
LGA    K    14_A      K    14_A    17.029     0    0.648   0.868    18.165    0.000    0.000
LGA    E    15_A      E    15_A    17.404     0    0.539   0.932    19.901    0.000    0.000
LGA    K    16_A      K    16_A    18.792     0    0.027   0.919    23.238    0.000    0.000
LGA    P    17_A      P    17_A    17.535     0    0.071   0.095    19.546    0.000    0.000
LGA    N    18_A      N    18_A    20.505     0    0.304   0.858    22.494    0.000    0.000
LGA    Y    19_A      Y    19_A    20.084     0    0.054   0.851    21.477    0.000    0.000
LGA    D    20_A      D    20_A    24.661     0    0.114   1.086    30.075    0.000    0.000
LGA    Y    21_A      Y    21_A    21.130     0    0.053   0.139    23.305    0.000    0.000
LGA    S    22_A      S    22_A    27.990     0    0.048   0.113    31.439    0.000    0.000
LGA    A    23_A      A    23_A    26.804     0    0.032   0.039    27.063    0.000    0.000
LGA    D    24_A      D    24_A    20.178     0    0.073   1.015    22.341    0.000    0.000
LGA    K    25_A      K    25_A    24.771     0    0.053   0.876    31.938    0.000    0.000
LGA    K    26_A      K    26_A    29.665     0    0.012   1.016    37.840    0.000    0.000
LGA    L    27_A      L    27_A    24.392     0    0.035   1.355    25.903    0.000    0.000
LGA    I    28_A      I    28_A    23.135     0    0.067   0.106    26.243    0.000    0.000
LGA    E    29_A      E    29_A    30.645     0    0.050   1.258    35.051    0.000    0.000
LGA    I    30_A      I    30_A    31.196     0    0.176   1.359    32.254    0.000    0.000
LGA    N    31_A      N    31_A    25.996     0    0.649   0.857    27.341    0.000    0.000
LGA    T    32_A      T    32_A    29.612     0    0.026   1.084    33.401    0.000    0.000
LGA    R    33_A      R    33_A    29.967     0    0.135   1.572    29.967    0.000    0.000
LGA    P    34_A      P    34_A    28.053     0    0.039   0.063    31.575    0.000    0.000
LGA    I    35_A      I    35_A    22.352     0    0.044   0.613    24.427    0.000    0.000
LGA    S    36_A      S    36_A    20.452     0    0.141   0.570    21.008    0.000    0.000
LGA    T    37_A      T    37_A    17.723     0    0.184   1.006    21.318    0.000    0.000
LGA    D    38_A      D    38_A    13.291     0    0.096   1.088    17.199    0.357    0.179
LGA    N    39_A      N    39_A     7.940     0    0.114   0.485    10.324    9.643   10.000
LGA    A    40_A      A    40_A     9.130     0    0.251   0.273    11.744    2.976    2.381
LGA    K    41_A      K    41_A     8.086     0    0.089   0.826    17.974    9.762    4.497
LGA    Y    42_A      Y    42_A     3.084     0    0.012   0.092    12.053   42.381   27.421
LGA    W    43_A      W    43_A     1.914     0    0.118   1.141     6.586   55.119   45.884
LGA    C    44_A      C    44_A     7.302     0    0.381   0.684    11.469    9.405    6.746
LGA    F    45_A      F    45_A    11.177     0    0.534   1.382    14.959    0.357    0.130
LGA    D    46_A      D    46_A    12.363     0    0.132   0.801    15.634    0.000    0.000
LGA    K    47_A      K    47_A    15.934     0    0.102   0.868    18.280    0.000    0.000
LGA    G    48_A      G    48_A    16.929     0    0.638   0.638    16.929    0.000    0.000
LGA    N    49_A      N    49_A    11.842     0    0.331   0.920    13.608    0.000    0.000
LGA    D    50_A      D    50_A     9.844     0    0.637   1.199    12.967    6.786    3.393
LGA    L    51_A      L    51_A     2.814     0    0.046   0.093     6.313   58.214   49.226
LGA    G    52_A      G    52_A     2.544     0    0.134   0.134     3.313   72.143   72.143
LGA    C    53_A      C    53_A     1.520     0    0.261   0.252     4.265   73.214   64.524
LGA    L    54_A      L    54_A     2.565     0    0.037   0.168     7.243   53.333   41.131
LGA    S    55_A      S    55_A     6.432     0    0.505   0.660    10.301   24.048   16.825
LGA    L    56_A      L    56_A     5.759     0    0.058   0.070     6.878   24.048   20.119
LGA    E    57_A      E    57_A     5.000     0    0.025   0.261     5.840   31.548   26.984
LGA    K    58_A      K    58_A     4.465     0    0.083   1.311    11.227   40.476   24.392
LGA    L    59_A      L    59_A     3.313     0    0.020   0.039     4.538   53.810   45.536
LGA    E    60_A      E    60_A     2.474     0    0.033   0.172     5.599   64.881   47.989
LGA    A    61_A      A    61_A     1.912     0    0.025   0.031     2.387   77.381   74.857
LGA    L    62_A      L    62_A     1.578     0    0.020   0.169     3.899   77.143   66.369
LGA    E    63_A      E    63_A     0.636     0    0.028   0.216     1.876   83.810   82.593
LGA    S    64_A      S    64_A     1.983     0    0.070   0.078     2.868   69.048   68.968
LGA    K    65_A      K    65_A     2.613     0    0.073   0.689     3.674   57.619   59.206
LGA    D    66_A      D    66_A     2.214     0    0.114   0.234     2.657   70.952   66.905
LGA    L    67_A      L    67_A     2.494     0    0.039   0.770     5.372   64.881   51.250
LGA    K    68_A      K    68_A     2.826     0    0.083   0.695     6.561   60.952   42.169
LGA    K    69_A      K    69_A     1.973     0    0.068   0.645     6.349   75.000   57.672
LGA    V    70_A      V    70_A     1.322     0    0.022   0.064     2.775   81.548   75.578
LGA    V    71_A      V    71_A     1.532     0    0.024   0.069     3.658   83.810   69.388
LGA    K    72_A      K    72_A     2.017     0    0.019   1.116    10.566   68.929   40.106
LGA    F    73_A      F    73_A     3.150     0    0.040   1.747    11.183   55.476   27.273
LGA    Y    74_A      Y    74_A     2.581     0    0.102   0.136     4.515   60.952   50.079
LGA    E    75_A      E    75_A     0.826     0    0.120   0.622     2.825   88.214   74.656
LGA    K    76_A      K    76_A     1.277     0    0.201   0.700     3.434   75.119   74.180
LGA    T    77_A      T    77_A     1.761     0    0.105   1.065     3.684   77.143   71.156
LGA    I    78_A      I    78_A     1.432     0    0.036   0.679     3.027   79.286   75.357
LGA    P    79_A      P    79_A     1.216     0    0.026   0.125     1.596   81.429   78.980
LGA    E    80_A      E    80_A     1.690     0    0.025   0.866     6.064   79.286   59.735
LGA    Y    81_A      Y    81_A     0.915     0    0.033   0.827     5.313   88.214   66.151
LGA    C    82_A      C    82_A     0.956     0    0.023   0.131     1.368   90.476   88.968
LGA    Y    83_A      Y    83_A     1.636     0    0.103   1.339    12.054   75.000   36.270
LGA    D    84_A      D    84_A     3.576     0    0.606   0.473     5.920   43.810   35.060
LGA    K    85_A      K    85_A     5.159     0    0.671   1.028    15.522   37.619   18.042
LGA    K    86_A      K    86_A     5.028     0    0.548   0.742    10.110   35.476   22.857
LGA    F    87_A      F    87_A     5.971     0    0.232   1.196    11.830   14.762    8.268
LGA    A    88_A      A    88_A     6.139     0    0.673   0.638     6.517   19.524   20.857
LGA    P    89_A      P    89_A     9.603     0    0.385   0.573    12.240    0.952    0.544
LGA    A    90_A      A    90_A     8.790     0    0.238   0.259     9.168    6.190    5.238
LGA    C    91_A      C    91_A     2.504     0    0.121   0.296     4.381   60.119   68.730
LGA    N    92_A      N    92_A     3.390     0    0.258   1.242     8.059   48.333   33.988
LGA    I    93_A      I    93_A     4.162     0    0.583   1.564     9.362   40.476   24.107
LGA    P    94_A      P    94_A     4.170     0    0.077   0.105     7.343   29.643   32.925
LGA    A    95_A      A    95_A     5.619     0    0.562   0.568     6.784   24.286   22.095
LGA    I    96_A      I    96_A     2.902     0    0.057   0.721     7.503   55.357   38.571
LGA    D    97_A      D    97_A     5.417     0    0.026   1.092     9.919   23.452   13.631
LGA    L    98_A      L    98_A     8.954     0    0.117   0.129    12.364    3.571    1.786
LGA    I    99_A      I    99_A     9.417     0    0.141   1.259    10.986    1.667    1.548
LGA    Q   100_A      Q   100_A     9.660     0    0.016   1.186    11.053    0.952    4.444
LGA    Q   101_A      Q   101_A     8.913     0    0.079   0.891    11.124    1.429    8.677
LGA    K   102_A      K   102_A    12.818     0    0.030   0.875    16.607    0.000    0.000
LGA    L   103_A      L   103_A    15.332     0    0.048   1.074    17.738    0.000    0.000
LGA    S   104_A      S   104_A    14.080     0    0.037   0.075    15.965    0.000    0.000
LGA    Y   105_A      Y   105_A    15.414     0    0.031   0.302    20.532    0.000    0.000
LGA    Y   106_A      Y   106_A    20.457     0    0.044   1.092    24.412    0.000    0.000
LGA    V   107_A      V   107_A    21.191     0    0.069   1.244    22.373    0.000    0.000
LGA    R   108_A      R   108_A    18.684     0    0.548   1.409    19.693    0.000    0.000
LGA    N   109_A      N   109_A    17.013     0    0.030   1.068    18.690    0.000    0.000
LGA    D   110_A      D   110_A    22.503     0    0.167   1.052    26.170    0.000    0.000
LGA    I   111_A      I   111_A    19.260     0    0.611   1.045    20.292    0.000    0.000
LGA    D   112_A      D   112_A    19.979     0    0.540   1.152    20.279    0.000    0.000
LGA    N   113_A      N   113_A    18.653     0    0.278   0.299    20.828    0.000    0.000
LGA    K   114_A      K   114_A    16.853     0    0.613   0.910    20.856    0.000    0.000
LGA    T   115_A      T   115_A    21.143     0    0.585   1.407    25.354    0.000    0.000
LGA    I   116_A      I   116_A    21.045     0    0.098   1.212    23.449    0.000    0.000
LGA    K   117_A      K   117_A    20.932     0    0.035   1.052    22.080    0.000    0.000
LGA    T   118_A      T   118_A    21.296     0    0.174   1.109    23.189    0.000    0.000
LGA    F   119_A      F   119_A    20.285     0    0.021   1.216    23.099    0.000    0.000
LGA    Y   120_A      Y   120_A    18.888     0    0.037   0.693    19.660    0.000    0.000
LGA    S   121_A      S   121_A    18.944     0    0.023   0.690    19.770    0.000    0.000
LGA    D   122_A      D   122_A    18.319     0    0.020   0.124    20.807    0.000    0.000
LGA    Y   123_A      Y   123_A    16.544     0    0.017   0.311    17.343    0.000    0.000
LGA    A   124_A      A   124_A    15.433     0    0.013   0.020    16.082    0.000    0.000
LGA    K   125_A      K   125_A    15.072     0    0.014   0.969    20.734    0.000    0.000
LGA    A   126_A      A   126_A    14.217     0    0.024   0.034    14.821    0.000    0.000
LGA    L   127_A      L   127_A    12.325     0    0.032   1.384    14.939    0.000    0.000
LGA    S   128_A      S   128_A    11.655     0    0.100   0.687    12.374    0.000    0.000
LGA    E   129_A      E   129_A    11.166     0    0.119   0.203    14.503    0.119    0.053
LGA    S   130_A      S   130_A     9.963     0    0.431   0.653    10.573    0.595    0.397
LGA    K   131_A      K   131_A     7.832     0    0.377   0.857     8.252    6.548    6.614
LGA    A   132_A      A   132_A     7.599     0    0.024   0.031     8.017   11.190    9.905
LGA    D   133_A      D   133_A     4.172     0    0.592   1.269     5.309   34.405   53.988
LGA    V   134_A      V   134_A     4.468     0    0.130   0.160     5.646   32.976   30.952
LGA    K   135_A      K   135_A     6.930     0    0.305   0.507     8.270   11.310    9.365
LGA    M   136_A      M   136_A     6.754     0    0.097   0.794     7.776   12.500   12.143
LGA    L   137_A      L   137_A     7.343     0    0.130   1.415     9.230    7.381   10.298
LGA    E   138_A      E   138_A     9.166     0    0.088   0.256    10.459    1.786    1.111
LGA    Y   139_A      Y   139_A     9.978     0    0.107   0.248    10.648    0.238    0.476
LGA    G   140_A      G   140_A    10.596     0    0.135   0.135    11.213    0.000    0.000
LGA    C   141_A      C   141_A    12.615     0    0.087   0.765    15.226    0.000    0.000
LGA    N   142_A      N   142_A    12.973     0    0.113   1.267    14.397    0.000    0.000
LGA    E   143_A      E   143_A    13.719     0    0.029   0.818    16.582    0.000    0.000
LGA    L   144_A      L   144_A    13.455     0    0.164   0.331    15.075    0.000    0.000
LGA    K   145_A      K   145_A    12.923     0    0.412   1.160    16.458    0.000    0.000
LGA    S   146_A      S   146_A     8.640     0    0.582   0.525    12.134    0.833    2.540
LGA    A   147_A      A   147_A    12.814     0    0.028   0.038    15.449    0.000    0.000
LGA    Y   148_A      Y   148_A    13.023     0    0.010   1.322    15.770    0.000    0.000
LGA    I   149_A      I   149_A    14.954     0    0.027   0.106    18.590    0.000    0.000
LGA    C   150_A      C   150_A    18.060     0    0.079   0.777    21.452    0.000    0.000
LGA    R   151_A      R   151_A    20.631     0    0.038   1.413    23.379    0.000    0.000
LGA    D   152_A      D   152_A    21.817     0    0.019   1.346    25.248    0.000    0.000
LGA    L   153_A      L   153_A    24.617     0    0.014   0.059    27.679    0.000    0.000
LGA    R   154_A      R   154_A    26.586     0    0.040   1.449    29.925    0.000    0.000
LGA    D   155_A      D   155_A    28.467     0    0.026   0.809    31.624    0.000    0.000
LGA    M   156_A      M   156_A    30.625     0    0.023   0.154    34.110    0.000    0.000
LGA    Y   157_A      Y   157_A    33.775     0    0.046   1.365    36.786    0.000    0.000
LGA    K   158_A      K   158_A    35.494     0    0.012   0.663    38.496    0.000    0.000
LGA    Y   159_A      Y   159_A    36.830     0    0.083   0.208    39.854    0.000    0.000
LGA    L   160_A      L   160_A    39.716     0    0.058   0.063    42.914    0.000    0.000
LGA    G   161_A      G   161_A    42.760     0    0.080   0.080    44.303    0.000    0.000
LGA    D   162_A      D   162_A    40.935     0    0.125   1.086    41.399    0.000    0.000
LGA    K   163_A      K   163_A    40.457     0    0.040   0.621    47.365    0.000    0.000
LGA    E   164_A      E   164_A    39.462     0    0.024   1.130    46.240    0.000    0.000
LGA    K   165_A      K   165_A    34.711     0    0.033   0.861    36.815    0.000    0.000
LGA    T   166_A      T   166_A    32.415     0    0.031   0.041    34.615    0.000    0.000
LGA    K   167_A      K   167_A    32.674     0    0.016   1.326    37.069    0.000    0.000
LGA    E   168_A      E   168_A    29.542     0    0.009   1.015    31.153    0.000    0.000
LGA    Y   169_A      Y   169_A    24.925     0    0.025   1.357    27.033    0.000    0.000
LGA    N   170_A      N   170_A    25.356     0    0.066   1.096    28.864    0.000    0.000
LGA    D   171_A      D   171_A    24.149     0    0.024   0.057    29.295    0.000    0.000
LGA    K   172_A      K   172_A    19.158     0    0.024   0.888    22.587    0.000    0.000
LGA    M   173_A      M   173_A    16.750     0    0.110   0.886    18.188    0.000    0.000
LGA    K   174_A      K   174_A    18.221     0    0.121   0.790    28.881    0.000    0.000
LGA    N   175_A      N   175_A    14.715     0    0.154   1.127    19.344    0.000    0.000
LGA    G   176_A      G   176_A    10.227     0    0.575   0.575    11.889    6.071    6.071
LGA    D   177_A      D   177_A     7.702     0    0.122   1.083    11.415   10.595    5.357
LGA    E   178_A      E   178_A     5.953     0    0.028   1.407    12.356   13.690    8.095
LGA    K   179_A      K   179_A    11.572     0    0.115   0.892    21.590    0.357    0.159
LGA    W   180_A      W   180_A    10.288     0    0.255   1.553    16.312    2.976    0.850
LGA    N   181_A      N   181_A     5.113     0    0.517   0.883     6.941   19.524   19.702
LGA    S   182_A      S   182_A     9.885     0    0.613   0.810    14.498    2.143    1.429
LGA    V   183_A      V   183_A    10.022     0    0.129   1.081    12.853    0.238    0.544
LGA    L   184_A      L   184_A     9.814     0    0.092   0.130    11.685    1.667    0.833
LGA    Y   185_A      Y   185_A     7.343     0    0.217   0.366     8.593   13.571    9.008
LGA    D   186_A      D   186_A     6.996     0    0.601   0.871     8.712   10.952    8.036
LGA    Y   187_A      Y   187_A     8.464     0    0.547   1.219    11.671    4.167    3.254
LGA    K   188_A      K   188_A     5.999     0    0.117   0.103     6.344   18.214   26.349
LGA    H   189_A      H   189_A     6.193     0    0.670   1.198     7.921   13.690   16.095
LGA    M   190_A      M   190_A     6.541     0    0.041   1.070     9.907   20.833   13.571
LGA    R   191_A      R   191_A     3.536     0    0.079   1.225    12.966   30.119   19.177
LGA    Y   192_A      Y   192_A    10.514     0    0.574   1.204    17.385    1.786    0.595
LGA    I   193_A      I   193_A    11.681     0    0.161   1.403    14.620    0.000    0.536
LGA    H   194_A      H   194_A    17.265     0    0.659   0.579    26.141    0.000    0.000
LGA    G   195_A      G   195_A    17.367     0    0.437   0.437    18.884    0.000    0.000
LGA    G   196_A      G   196_A    22.805     0    0.337   0.337    25.006    0.000    0.000
LGA    Y   197_A      Y   197_A    26.620     0    0.419   1.243    28.063    0.000    0.000
LGA    S   198_A      S   198_A    27.071     0    0.072   0.564    29.122    0.000    0.000
LGA    S   199_A      S   199_A    30.442     0    0.155   0.181    33.378    0.000    0.000
LGA    W   200_A      W   200_A    32.407     0    0.106   1.258    40.462    0.000    0.000
LGA    W   201_A      W   201_A    31.916     0    0.020   1.562    34.384    0.000    0.000
LGA    L   202_A      L   202_A    33.484     0    0.016   0.054    36.958    0.000    0.000
LGA    L   203_A      L   203_A    38.151     0    0.031   0.184    41.166    0.000    0.000
LGA    E   204_A      E   204_A    38.993     0    0.062   0.534    41.253    0.000    0.000
LGA    K   205_A      K   205_A    39.166     0    0.037   0.240    41.679    0.000    0.000
LGA    I   206_A      I   206_A    43.846     0    0.055   0.553    46.920    0.000    0.000
LGA    K   207_A      K   207_A    46.232     0    0.553   1.057    48.335    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      207     828    828  100.00    1714   1714  100.00               207
SUMMARY(RMSD_GDC):    16.780         16.770                 17.236           14.938   12.591

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  207  207    4.0     39    2.49    19.082    16.683     1.508

LGA_LOCAL      RMSD:   2.486  Number of atoms:   39  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  19.951  Number of assigned atoms:  207 
Std_ASGN_ATOMS RMSD:  16.780  Standard rmsd on all 207 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.503395 * X  +  -0.697368 * Y  +  -0.510167 * Z  +  -4.984159
  Y_new =  -0.787100 * X  +   0.613680 * Y  +  -0.062212 * Z  +  -2.317316
  Z_new =   0.356464 * X  +   0.370235 * Y  +  -0.857822 * Z  +   9.909358 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.139795 -0.364481  2.734146   [DEG: -122.6012  -20.8832  156.6550 ]
ZXZ: -1.449451  2.601814  0.766450   [DEG:  -83.0474  149.0729   43.9144 ]
 
# END of job
