
#######################################################
#                                                     #
#                        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:    65     114_A - 178_A       4.96    20.18
  LCS_AVERAGE:     21.90

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    33     145_A - 177_A       1.95    20.65
  LCS_AVERAGE:      7.03

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    31     146_A - 176_A       0.94    20.56
  LCS_AVERAGE:      5.41

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   13      0    3    3    3    4    7    8   13   19   21   21   22   22   24   25   28   31   34   37   40 
LCS_GDT     I     2_A     I     2_A      6    6   13      5    6    6    7    9   12   15   17   19   21   21   22   22   24   25   28   31   34   37   40 
LCS_GDT     D     3_A     D     3_A      6    6   13      5    6    6    7    9   12   15   17   19   21   21   22   22   24   25   28   31   34   37   40 
LCS_GDT     P     4_A     P     4_A      6    6   14      5    6    6    7    9   12   15   17   19   21   21   22   22   24   25   28   31   34   37   43 
LCS_GDT     F     5_A     F     5_A      6    6   14      5    6    6    7    9   12   15   17   19   21   21   22   22   24   25   29   31   37   45   54 
LCS_GDT     T     6_A     T     6_A      6    6   14      5    6    6    7    9   10   14   17   19   21   21   22   22   24   25   28   31   37   39   43 
LCS_GDT     W     7_A     W     7_A      6    6   14      3    6    6    7    9   10   14   14   15   21   21   22   22   24   25   29   31   37   39   43 
LCS_GDT     G     8_A     G     8_A      3    5   14      3    4    4    4    6    8    9   10   13   14   18   20   23   25   28   33   37   46   53   59 
LCS_GDT     F     9_A     F     9_A      3    5   14      3    4    4    4    6    8    9   10   14   18   22   26   33   36   41   43   51   55   62   71 
LCS_GDT     G    10_A     G    10_A      3    5   14      3    4    4    5    6    8    9   12   20   23   27   29   38   44   45   50   64   68   72   81 
LCS_GDT     G    11_A     G    11_A      3    6   14      3    3    4    5    7    7    9   15   21   23   27   34   38   44   49   56   64   73   79   83 
LCS_GDT     S    12_A     S    12_A      3    6   14      3    3    4    5    6    8   12   17   21   23   28   34   39   45   52   62   70   74   79   83 
LCS_GDT     S    13_A     S    13_A      5    6   14      3    3    5    5    6    7   13   15   21   23   27   34   38   44   49   54   64   67   74   81 
LCS_GDT     K    14_A     K    14_A      5    6   14      3    4    5    5    6    8   13   15   21   23   27   34   38   44   49   54   64   68   74   81 
LCS_GDT     E    15_A     E    15_A      5    6   14      3    4    5    5    6    8   13   14   21   23   27   34   38   44   48   52   64   67   72   78 
LCS_GDT     K    16_A     K    16_A      5    6   20      3    4    5    5    6    7    8   12   12   20   26   31   38   44   45   50   60   66   72   78 
LCS_GDT     P    17_A     P    17_A      5    6   21      3    4    5    5    6    7    8   10   11   15   18   21   30   32   45   47   60   63   72   75 
LCS_GDT     N    18_A     N    18_A      4    5   21      4    4    5    7    8    8   13   15   21   23   27   34   38   44   49   56   62   66   72   75 
LCS_GDT     Y    19_A     Y    19_A      4    5   21      4    4    5    7    8    9   11   12   16   18   24   27   32   37   42   47   51   55   61   67 
LCS_GDT     D    20_A     D    20_A      4    5   21      4    4    5    5    5    7   12   13   16   19   22   25   31   33   37   39   41   48   51   55 
LCS_GDT     Y    21_A     Y    21_A      4    5   21      4    4    5    5    7   10   12   13   16   19   24   25   31   33   38   40   45   48   51   54 
LCS_GDT     S    22_A     S    22_A      3    5   21      3    3    5    6    8   10   12   13   16   19   22   24   27   31   36   37   40   48   53   54 
LCS_GDT     A    23_A     A    23_A      3    5   21      3    3    3    6    8   10   12   13   16   19   22   24   27   31   36   39   44   49   54   59 
LCS_GDT     D    24_A     D    24_A      3    8   21      3    3    3    4    5    8    9   11   15   19   22   24   27   33   36   39   44   49   54   59 
LCS_GDT     K    25_A     K    25_A      7   11   21      6    7    7    8   10   11   12   13   15   19   22   24   27   33   36   39   44   49   54   59 
LCS_GDT     K    26_A     K    26_A      7   11   21      6    7    7    8   10   11   12   13   15   19   22   24   27   31   36   37   38   40   43   51 
LCS_GDT     L    27_A     L    27_A      7   11   21      6    7    7    8   10   11   12   13   16   19   22   24   27   31   36   37   38   49   54   59 
LCS_GDT     I    28_A     I    28_A      7   11   21      6    7    7    8   10   11   12   13   16   19   25   29   33   35   45   54   65   71   73   76 
LCS_GDT     E    29_A     E    29_A      7   11   21      6    7    7    8   10   11   12   13   16   19   22   24   27   31   36   37   43   49   54   67 
LCS_GDT     I    30_A     I    30_A      7   11   21      6    7    7    8   10   11   12   13   16   17   21   24   27   29   36   37   38   38   44   53 
LCS_GDT     N    31_A     N    31_A      7   11   21      3    7    7    7    8    9   12   13   15   17   20   24   27   29   36   37   38   46   53   59 
LCS_GDT     T    32_A     T    32_A      4   11   21      2    3    6    8   10   11   12   13   16   17   21   24   27   29   36   37   38   40   45   55 
LCS_GDT     R    33_A     R    33_A      4   11   22      0    3    5    8   10   11   12   13   16   19   22   24   27   31   36   37   38   42   53   58 
LCS_GDT     P    34_A     P    34_A      4   11   22      3    3    4    6   10   11   12   13   16   19   22   24   27   31   36   37   38   42   46   53 
LCS_GDT     I    35_A     I    35_A      4   11   22      3    3    6    8   10   11   12   13   19   21   23   24   29   33   38   42   50   54   61   70 
LCS_GDT     S    36_A     S    36_A      4    6   22      3    4    5    9   12   14   15   16   21   21   26   31   36   40   45   53   60   67   72   77 
LCS_GDT     T    37_A     T    37_A      4    7   22      3    4    4    9   12   14   15   16   21   21   26   31   36   40   45   53   61   68   72   77 
LCS_GDT     D    38_A     D    38_A      6    7   22      4    6    6    9   12   14   15   16   21   21   26   31   36   40   45   53   61   68   73   78 
LCS_GDT     N    39_A     N    39_A      6    7   22      4    6    6    6    8   14   15   16   19   21   26   31   36   40   45   53   61   68   73   78 
LCS_GDT     A    40_A     A    40_A      6    7   22      4    6    6    6    8   10   12   12   19   21   24   30   33   37   43   52   61   67   72   77 
LCS_GDT     K    41_A     K    41_A      6    7   27      4    6    6    7    8   10   12   16   21   24   25   27   33   39   45   53   61   68   73   78 
LCS_GDT     Y    42_A     Y    42_A      6    7   27      4    6    6    6    9   11   15   20   25   27   36   36   38   46   51   58   64   68   73   78 
LCS_GDT     W    43_A     W    43_A      6    7   27      4    6    6    8   12   14   15   19   24   27   36   36   38   46   51   58   64   68   73   78 
LCS_GDT     C    44_A     C    44_A      4    7   47      3    3    5    9   12   14   15   17   21   24   25   32   36   43   50   58   64   68   73   78 
LCS_GDT     F    45_A     F    45_A      4    5   47      3    4    4    4    6   10   12   12   21   21   23   29   34   40   45   53   61   67   73   78 
LCS_GDT     D    46_A     D    46_A      4    5   49      3    4    4    5    8   10   12   19   25   30   36   36   39   43   47   55   62   67   73   78 
LCS_GDT     K    47_A     K    47_A      4    4   52      3    4    4    6    6    7   17   22   25   31   34   40   46   48   52   54   57   64   71   75 
LCS_GDT     G    48_A     G    48_A      4   18   52      3    4    4    6    6    8   12   17   26   31   36   40   44   48   50   54   62   67   73   78 
LCS_GDT     N    49_A     N    49_A     16   18   52      4   11   15   17   17   21   26   30   32   36   40   43   46   48   53   58   64   68   75   82 
LCS_GDT     D    50_A     D    50_A     16   18   52      7   11   15   17   20   24   26   30   32   36   40   43   46   48   53   63   69   75   81   88 
LCS_GDT     L    51_A     L    51_A     16   18   52      7   11   15   17   19   23   27   29   32   36   40   43   46   48   52   57   62   67   75   83 
LCS_GDT     G    52_A     G    52_A     16   18   52      7   12   15   17   17   19   25   30   32   36   40   43   46   48   53   58   69   75   81   88 
LCS_GDT     C    53_A     C    53_A     16   18   52      7   12   15   17   20   24   26   30   32   36   40   43   48   56   62   70   78   85   86   92 
LCS_GDT     L    54_A     L    54_A     16   18   52      7   12   15   17   17   17   21   29   31   36   40   43   46   56   62   70   78   85   86   92 
LCS_GDT     S    55_A     S    55_A     16   18   52      9   12   15   17   19   23   27   29   32   35   40   43   46   56   62   70   78   85   86   92 
LCS_GDT     L    56_A     L    56_A     16   18   52      9   12   15   17   20   24   26   30   32   36   40   50   55   63   67   70   78   85   86   92 
LCS_GDT     E    57_A     E    57_A     16   18   52      9   12   29   30   32   33   34   37   40   44   52   56   61   65   68   73   78   85   86   92 
LCS_GDT     K    58_A     K    58_A     16   18   52      9   12   15   17   19   33   33   35   40   44   52   56   61   65   68   73   78   85   86   92 
LCS_GDT     L    59_A     L    59_A     16   18   52      9   12   15   17   17   20   26   30   33   41   46   55   61   65   67   73   78   85   86   92 
LCS_GDT     E    60_A     E    60_A     16   18   52      9   12   15   17   20   22   26   30   31   36   40   43   46   48   60   72   73   81   86   92 
LCS_GDT     A    61_A     A    61_A     16   18   52      9   12   15   17   17   32   32   33   38   42   46   50   54   59   63   72   76   81   86   92 
LCS_GDT     L    62_A     L    62_A     16   18   52      9   12   15   17   19   23   27   30   33   37   40   50   52   57   61   72   74   81   86   92 
LCS_GDT     E    63_A     E    63_A     16   18   52      9   12   15   17   17   18   24   28   31   36   40   43   46   48   52   54   60   68   82   91 
LCS_GDT     S    64_A     S    64_A     16   18   52      5   10   14   17   17   18   26   28   31   36   40   43   46   48   52   54   59   72   82   91 
LCS_GDT     K    65_A     K    65_A     15   18   52      7   11   14   17   20   24   27   30   32   36   40   43   46   48   52   59   65   77   83   91 
LCS_GDT     D    66_A     D    66_A     12   15   52      3   11   14   17   20   24   27   30   32   36   40   43   46   48   52   54   59   68   79   91 
LCS_GDT     L    67_A     L    67_A     12   15   52      8   11   14   17   20   24   27   30   32   36   40   43   46   48   52   54   60   68   80   91 
LCS_GDT     K    68_A     K    68_A     12   15   52      8   11   14   17   20   24   27   30   32   36   40   43   46   48   52   54   59   66   73   82 
LCS_GDT     K    69_A     K    69_A     12   15   52      8   11   14   17   20   24   27   30   32   36   40   43   46   48   52   55   62   68   81   91 
LCS_GDT     V    70_A     V    70_A     12   15   52      8   11   14   17   20   24   27   30   34   37   40   45   48   53   55   59   68   81   86   92 
LCS_GDT     V    71_A     V    71_A     12   15   52      8   11   14   17   20   24   27   30   32   36   40   43   46   48   52   58   64   77   82   92 
LCS_GDT     K    72_A     K    72_A     12   15   52      8   11   14   17   20   24   27   30   32   36   40   43   46   48   52   58   63   68   78   86 
LCS_GDT     F    73_A     F    73_A     12   15   52      8   11   14   17   19   24   27   34   34   37   40   43   46   48   55   62   69   79   86   92 
LCS_GDT     Y    74_A     Y    74_A     12   15   52      8   11   14   20   26   30   32   35   35   37   40   49   53   56   62   69   76   81   86   92 
LCS_GDT     E    75_A     E    75_A     12   15   52      7   11   13   17   20   24   32   34   34   37   40   43   46   49   57   66   69   79   86   92 
LCS_GDT     K    76_A     K    76_A     12   15   52      3    6   11   16   20   24   27   30   32   36   40   43   46   48   54   60   67   75   78   86 
LCS_GDT     T    77_A     T    77_A      6   15   52      3    5    6   13   20   24   27   30   32   36   40   43   46   49   58   66   69   76   83   92 
LCS_GDT     I    78_A     I    78_A      6   15   52      3    5   11   15   20   24   27   30   32   36   40   43   46   53   59   66   72   76   83   92 
LCS_GDT     P    79_A     P    79_A      6   15   52      3    8   12   15   20   24   27   30   32   36   40   43   46   48   53   58   67   69   78   86 
LCS_GDT     E    80_A     E    80_A      3    5   52      3    3    4    4    5    7   13   15   22   33   36   41   46   48   52   54   57   61   70   76 
LCS_GDT     Y    81_A     Y    81_A      3    5   52      3    3    4    5    5    6   10   12   15   19   22   29   32   40   46   52   57   61   70   78 
LCS_GDT     C    82_A     C    82_A      3    5   52      3    3    4    5    5    8   14   14   25   29   36   36   40   44   50   55   63   68   73   78 
LCS_GDT     Y    83_A     Y    83_A      3    5   52      3    3    4    9   12   18   22   30   31   36   40   42   46   48   53   58   64   68   73   78 
LCS_GDT     D    84_A     D    84_A      4    6   52      3    8   13   17   20   24   27   30   32   36   40   43   46   48   53   58   64   68   73   78 
LCS_GDT     K    85_A     K    85_A      4    6   52      3    8   12   15   20   24   27   30   32   36   40   43   46   48   53   58   64   68   73   78 
LCS_GDT     K    86_A     K    86_A      4    6   52      3    4   12   15   20   24   27   30   32   36   40   43   46   48   53   58   64   68   73   78 
LCS_GDT     F    87_A     F    87_A      4    6   52      3    4   11   15   20   24   26   30   32   36   40   43   46   48   53   58   64   68   73   80 
LCS_GDT     A    88_A     A    88_A      4    6   52      0    4    5   13   20   24   27   30   32   36   40   43   46   48   53   58   64   68   76   82 
LCS_GDT     P    89_A     P    89_A      4    6   52      3    4    8   15   20   24   26   30   32   36   40   43   46   48   53   58   67   68   76   82 
LCS_GDT     A    90_A     A    90_A      4    6   52      3    4    4    5    7   13   16   19   20   33   43   46   52   56   62   70   78   85   86   92 
LCS_GDT     C    91_A     C    91_A      4   18   52      3    4    4    5    9   17   18   20   21   36   48   57   61   67   69   72   78   85   86   92 
LCS_GDT     N    92_A     N    92_A      8   18   52      6    7   10   13   17   17   18   25   31   34   39   43   46   48   52   58   71   85   86   88 
LCS_GDT     I    93_A     I    93_A      8   18   52      6    7   11   14   17   17   28   35   40   47   54   59   64   67   69   73   78   85   86   92 
LCS_GDT     P    94_A     P    94_A      8   18   52      6    7   11   14   17   17   18   30   40   48   57   60   65   67   70   75   78   85   86   92 
LCS_GDT     A    95_A     A    95_A      8   18   52      6    7   10   14   17   20   22   25   30   38   51   55   61   64   69   73   78   85   86   92 
LCS_GDT     I    96_A     I    96_A      8   18   52      6    7   10   15   19   23   28   35   42   50   54   59   61   67   69   73   78   85   86   92 
LCS_GDT     D    97_A     D    97_A     11   18   52      6   11   14   18   24   32   40   45   49   51   58   60   65   68   73   76   78   85   86   92 
LCS_GDT     L    98_A     L    98_A     11   18   52      5    9   15   22   26   32   40   45   49   51   58   60   65   69   73   76   79   85   86   92 
LCS_GDT     I    99_A     I    99_A     11   18   52      8    9   11   14   24   32   40   45   49   51   58   60   65   69   73   76   79   85   86   92 
LCS_GDT     Q   100_A     Q   100_A     11   18   52      8    9   11   14   17   28   37   45   49   51   58   60   65   69   73   76   79   85   86   92 
LCS_GDT     Q   101_A     Q   101_A     11   18   37      8    9   11   18   24   32   40   45   49   51   58   60   65   69   73   76   79   85   86   92 
LCS_GDT     K   102_A     K   102_A     11   18   30      8    9   11   14   17   17   40   45   49   51   58   60   65   69   73   76   79   85   86   92 
LCS_GDT     L   103_A     L   103_A     11   18   30      8    9   11   14   17   17   18   20   24   35   58   60   65   69   73   76   79   85   86   92 
LCS_GDT     S   104_A     S   104_A     11   18   30      8    9   11   14   17   17   18   20   38   51   58   60   65   69   73   76   79   85   86   92 
LCS_GDT     Y   105_A     Y   105_A     11   18   30      8    9   11   14   17   17   18   19   21   47   58   60   65   69   73   76   79   85   86   92 
LCS_GDT     Y   106_A     Y   106_A     11   18   30      8    9   11   14   17   17   18   20   21   24   28   48   64   67   73   76   79   85   86   92 
LCS_GDT     V   107_A     V   107_A     11   18   30      6    9   11   14   17   17   18   20   21   23   26   40   55   63   71   76   79   85   86   92 
LCS_GDT     R   108_A     R   108_A      5   18   30      3    5   10   14   17   17   18   20   21   23   31   36   42   59   68   76   78   83   86   92 
LCS_GDT     N   109_A     N   109_A      5    7   30      4    5    5    7    8   16   18   20   21   25   31   36   41   48   53   58   69   78   84   91 
LCS_GDT     D   110_A     D   110_A      5    7   30      4    5    5    7    8   16   18   20   21   24   31   36   41   48   54   63   73   81   86   92 
LCS_GDT     I   111_A     I   111_A      5    7   30      4    5    5    7    8    9   11   14   20   25   31   38   45   55   60   67   78   82   86   92 
LCS_GDT     D   112_A     D   112_A      5    7   30      4    5    5    7    7    9   14   17   29   36   40   48   52   55   60   66   74   82   86   92 
LCS_GDT     N   113_A     N   113_A      3    8   30      3    4    5    7    9   18   23   30   33   38   44   48   54   56   63   72   78   82   86   92 
LCS_GDT     K   114_A     K   114_A      3    8   65      3    4    4    7   11   18   24   29   37   42   47   53   61   69   73   76   79   85   86   92 
LCS_GDT     T   115_A     T   115_A      3    8   65      3    4    4    7    8   28   32   45   49   51   58   60   65   69   73   76   79   85   86   91 
LCS_GDT     I   116_A     I   116_A      6    8   65      3    4   12   14   25   28   40   45   49   51   58   60   65   68   72   76   78   85   86   90 
LCS_GDT     K   117_A     K   117_A      6    8   65      3    4    6    7    8   20   23   28   34   39   50   57   62   66   69   73   77   85   86   88 
LCS_GDT     T   118_A     T   118_A      6    8   65      3    4    6    7   11   20   28   37   47   51   58   60   65   69   73   76   79   85   86   92 
LCS_GDT     F   119_A     F   119_A      6   13   65      9   16   24   31   32   34   40   45   49   51   58   60   65   69   73   76   79   85   86   92 
LCS_GDT     Y   120_A     Y   120_A     12   13   65      6   10   12   12   13   26   35   45   49   51   58   60   63   69   73   76   79   85   86   90 
LCS_GDT     S   121_A     S   121_A     12   13   65      7   10   18   23   29   34   40   45   49   51   58   60   65   69   73   76   79   85   86   92 
LCS_GDT     D   122_A     D   122_A     12   13   65      7   10   12   12   24   31   40   45   49   51   58   60   65   69   73   76   79   85   86   92 
LCS_GDT     Y   123_A     Y   123_A     12   13   65      7   10   12   19   26   32   40   45   49   51   58   60   65   69   73   76   79   85   86   92 
LCS_GDT     A   124_A     A   124_A     12   13   65      6   10   12   12   25   29   40   45   49   51   58   60   65   69   73   76   79   85   86   92 
LCS_GDT     K   125_A     K   125_A     12   13   65      7   10   12   12   14   25   37   45   49   51   58   60   65   69   73   76   79   85   86   92 
LCS_GDT     A   126_A     A   126_A     12   13   65      7   10   12   12   24   32   40   45   49   51   58   60   65   69   73   76   79   85   86   92 
LCS_GDT     L   127_A     L   127_A     12   13   65      7   10   18   23   29   34   40   45   49   51   58   60   65   69   73   76   79   85   86   92 
LCS_GDT     S   128_A     S   128_A     12   13   65      7   10   12   12   15   24   33   38   48   51   58   60   65   69   73   76   79   85   86   92 
LCS_GDT     E   129_A     E   129_A     12   13   65      6   10   12   12   13   14   27   29   38   50   56   60   65   69   73   76   79   85   86   92 
LCS_GDT     S   130_A     S   130_A     12   13   65      5   10   13   17   19   24   38   45   49   51   58   60   65   69   73   76   79   85   86   92 
LCS_GDT     K   131_A     K   131_A     12   13   65      4    9   12   12   13   14   26   37   48   51   56   60   65   69   73   76   79   85   86   92 
LCS_GDT     A   132_A     A   132_A     10   13   65      7    9   10   10   11   11   13   15   31   43   51   58   62   69   73   76   79   85   86   91 
LCS_GDT     D   133_A     D   133_A     10   11   65      7    9   10   10   11   14   17   37   43   51   58   60   65   69   73   76   79   85   86   92 
LCS_GDT     V   134_A     V   134_A     10   11   65      7    9   10   10   11   11   15   23   34   46   56   60   65   69   73   76   79   85   86   92 
LCS_GDT     K   135_A     K   135_A     10   11   65      7    9   10   10   13   14   33   40   48   51   56   60   65   69   73   76   79   85   86   92 
LCS_GDT     M   136_A     M   136_A     10   11   65      7    9   10   10   11   17   27   44   48   51   58   60   65   69   73   76   79   85   86   92 
LCS_GDT     L   137_A     L   137_A     10   11   65      7    9   10   10   11   11   14   16   20   29   39   58   65   67   73   76   79   85   86   92 
LCS_GDT     E   138_A     E   138_A     10   11   65      7    9   10   10   11   11   13   15   21   26   30   38   50   64   68   74   78   85   86   92 
LCS_GDT     Y   139_A     Y   139_A     10   11   65      3    9   10   10   11   17   25   40   48   51   55   59   65   67   72   76   79   85   86   91 
LCS_GDT     G   140_A     G   140_A     10   11   65      3    7   10   10   11   11   14   30   44   51   58   60   65   69   73   76   79   85   86   92 
LCS_GDT     C   141_A     C   141_A      4    5   65      3    4    4    5    6    9   11   15   25   37   56   59   65   67   70   76   79   85   86   92 
LCS_GDT     N   142_A     N   142_A      4    5   65      3    4    4    6    9   12   17   30   39   46   55   58   61   67   69   73   76   79   85   88 
LCS_GDT     E   143_A     E   143_A      4    5   65      3    4    4    5    6   12   15   24   37   45   53   57   61   67   69   73   76   78   80   85 
LCS_GDT     L   144_A     L   144_A      3   32   65      3    3    3    4    5    9   13   20   37   41   53   56   61   65   69   73   76   78   80   85 
LCS_GDT     K   145_A     K   145_A      3   33   65      3    3    3    3    4    7   13   22   33   41   45   54   61   65   69   73   76   78   82   88 
LCS_GDT     S   146_A     S   146_A     31   33   65     15   27   29   31   32   34   37   44   49   51   58   60   65   67   73   76   79   85   86   92 
LCS_GDT     A   147_A     A   147_A     31   33   65     10   27   29   31   32   34   40   45   49   51   58   60   65   69   73   76   79   85   86   92 
LCS_GDT     Y   148_A     Y   148_A     31   33   65     16   27   29   31   32   34   40   45   49   51   58   60   65   69   73   76   79   85   86   92 
LCS_GDT     I   149_A     I   149_A     31   33   65     16   27   29   31   32   34   37   45   49   51   58   60   65   69   73   76   79   85   86   92 
LCS_GDT     C   150_A     C   150_A     31   33   65     16   27   29   31   32   34   40   45   49   51   58   60   65   69   73   76   79   85   86   92 
LCS_GDT     R   151_A     R   151_A     31   33   65     15   27   29   31   32   34   40   45   49   51   58   60   65   69   73   76   79   85   86   92 
LCS_GDT     D   152_A     D   152_A     31   33   65     14   26   29   31   32   34   37   45   49   51   58   60   65   69   73   76   79   85   86   92 
LCS_GDT     L   153_A     L   153_A     31   33   65     16   27   29   31   32   34   40   45   49   51   58   60   65   69   73   76   79   85   86   92 
LCS_GDT     R   154_A     R   154_A     31   33   65     16   27   29   31   32   34   40   45   49   51   58   60   65   69   73   76   79   85   86   92 
LCS_GDT     D   155_A     D   155_A     31   33   65     16   27   29   31   32   34   40   45   49   51   58   60   65   69   73   76   79   85   86   92 
LCS_GDT     M   156_A     M   156_A     31   33   65     16   27   29   31   32   34   40   45   49   51   58   60   65   69   73   76   79   85   86   92 
LCS_GDT     Y   157_A     Y   157_A     31   33   65     16   27   29   31   32   34   40   45   49   51   58   60   65   69   73   76   79   85   86   92 
LCS_GDT     K   158_A     K   158_A     31   33   65     16   27   29   31   32   34   40   45   49   51   58   60   65   69   73   76   79   85   86   92 
LCS_GDT     Y   159_A     Y   159_A     31   33   65     16   27   29   31   32   34   38   45   49   51   58   60   65   69   73   76   79   85   86   92 
LCS_GDT     L   160_A     L   160_A     31   33   65     16   27   29   31   32   34   40   45   49   51   58   60   65   69   73   76   79   85   86   92 
LCS_GDT     G   161_A     G   161_A     31   33   65     16   27   29   31   32   34   40   45   49   51   58   60   65   69   73   76   79   85   86   92 
LCS_GDT     D   162_A     D   162_A     31   33   65     16   27   29   31   32   34   40   45   49   51   58   60   65   69   73   76   79   85   86   92 
LCS_GDT     K   163_A     K   163_A     31   33   65     16   27   29   31   32   34   40   45   49   51   58   60   65   69   73   76   79   85   86   92 
LCS_GDT     E   164_A     E   164_A     31   33   65     16   27   29   31   32   34   40   45   49   51   58   60   65   69   73   76   79   85   86   92 
LCS_GDT     K   165_A     K   165_A     31   33   65     15   27   29   31   32   34   40   45   49   51   58   60   65   69   73   76   79   85   86   92 
LCS_GDT     T   166_A     T   166_A     31   33   65     16   27   29   31   32   34   40   45   49   51   58   60   65   69   73   76   79   85   86   92 
LCS_GDT     K   167_A     K   167_A     31   33   65     16   27   29   31   32   34   40   45   49   51   58   60   65   69   73   76   79   85   86   92 
LCS_GDT     E   168_A     E   168_A     31   33   65     15   27   29   31   32   34   40   45   49   51   58   60   65   69   73   76   79   85   86   92 
LCS_GDT     Y   169_A     Y   169_A     31   33   65     16   27   29   31   32   34   40   45   49   51   58   60   65   69   73   76   79   85   86   92 
LCS_GDT     N   170_A     N   170_A     31   33   65     15   27   29   31   32   34   40   45   49   51   58   60   65   69   73   76   79   85   86   92 
LCS_GDT     D   171_A     D   171_A     31   33   65     12   27   29   31   32   34   40   45   49   51   58   60   65   69   73   76   79   85   86   92 
LCS_GDT     K   172_A     K   172_A     31   33   65     15   27   29   31   32   34   40   45   49   51   58   60   65   69   73   76   79   85   86   92 
LCS_GDT     M   173_A     M   173_A     31   33   65     16   27   29   31   32   34   40   45   49   51   58   60   65   69   73   76   79   85   86   92 
LCS_GDT     K   174_A     K   174_A     31   33   65     12   26   29   31   32   34   40   45   49   51   58   60   65   69   73   76   79   85   86   92 
LCS_GDT     N   175_A     N   175_A     31   33   65      3   12   29   31   32   34   40   45   49   51   58   60   65   69   73   76   79   85   86   91 
LCS_GDT     G   176_A     G   176_A     31   33   65      3    9   22   29   31   34   40   45   49   51   58   60   65   69   73   76   79   85   86   92 
LCS_GDT     D   177_A     D   177_A      6   33   65      3    4    9   19   25   32   37   45   49   51   58   60   65   69   73   76   79   85   86   92 
LCS_GDT     E   178_A     E   178_A      4   31   65      3    4    4    8   14   20   27   36   42   50   54   60   64   69   73   76   79   83   86   91 
LCS_GDT     K   179_A     K   179_A      3    5   47      3    3    4    6   11   14   18   22   30   34   43   50   54   61   68   76   79   83   86   88 
LCS_GDT     W   180_A     W   180_A      4    5   47      4    4    4    6   10   12   14   20   25   31   38   48   54   61   69   76   79   83   86   88 
LCS_GDT     N   181_A     N   181_A      4    6   47      4    4    4    7   11   14   18   25   33   38   47   52   64   69   73   76   79   83   86   90 
LCS_GDT     S   182_A     S   182_A      4    6   47      4    4    4    7   11   14   18   25   33   40   47   52   64   69   73   76   79   83   86   91 
LCS_GDT     V   183_A     V   183_A      4    6   47      4    4    6    8   11   14   18   24   30   37   44   53   64   69   73   76   79   83   86   91 
LCS_GDT     L   184_A     L   184_A      4    7   47      4    4    4    8   11   14   22   30   34   42   50   60   64   69   73   76   79   83   86   91 
LCS_GDT     Y   185_A     Y   185_A      4    7   47      4    4    5    9   14   22   26   33   37   42   49   60   64   69   73   76   79   83   86   91 
LCS_GDT     D   186_A     D   186_A      5    7   47      4    5    5    7   10   12   17   24   31   36   40   48   54   62   71   76   79   83   86   90 
LCS_GDT     Y   187_A     Y   187_A      5    7   47      4    5    5    6   10   12   14   15   16   17   18   22   31   42   47   53   57   67   79   83 
LCS_GDT     K   188_A     K   188_A      5    7   47      4    5    5    7   10   12   14   15   18   22   28   35   40   44   50   54   57   61   67   73 
LCS_GDT     H   189_A     H   189_A      5    7   47      4    5    5    7   11   20   25   30   34   42   47   52   63   69   73   76   79   83   86   91 
LCS_GDT     M   190_A     M   190_A      5    7   47      3    5    5    7   11   22   26   30   36   42   47   53   64   69   73   76   79   83   86   91 
LCS_GDT     R   191_A     R   191_A      4    7   47      3    3    4    5    6    8   13   14   25   32   41   48   53   60   71   76   79   83   86   90 
LCS_GDT     Y   192_A     Y   192_A      4    6   47      3    3    4    5    6    7   13   15   22   31   37   46   53   60   69   76   79   83   86   90 
LCS_GDT     I   193_A     I   193_A      4    5   45      3    3    4    7   10   12   14   15   16   17   22   29   37   45   52   62   71   77   84   87 
LCS_GDT     H   194_A     H   194_A      4    5   23      3    3    4    7   10   12   14   15   16   16   24   30   33   38   46   52   64   68   79   83 
LCS_GDT     G   195_A     G   195_A      4    5   23      3    3    4    4    6    7   14   15   16   17   25   30   33   38   46   53   64   68   79   83 
LCS_GDT     G   196_A     G   196_A      4   12   23      3    4    4    9   11   12   14   15   16   17   24   30   33   38   46   53   64   68   74   81 
LCS_GDT     Y   197_A     Y   197_A     10   12   23      3    6   10   10   11   12   12   13   16   17   18   21   23   29   37   44   50   60   65   73 
LCS_GDT     S   198_A     S   198_A     10   12   23      3    8   10   10   11   12   12   13   13   17   19   24   26   28   37   44   50   60   65   73 
LCS_GDT     S   199_A     S   199_A     10   12   22      3    8   10   10   11   12   12   13   13   17   20   24   26   27   29   31   34   37   39   44 
LCS_GDT     W   200_A     W   200_A     10   12   20      3    6   10   10   11   12   12   13   13   17   18   20   23   25   29   31   32   35   37   40 
LCS_GDT     W   201_A     W   201_A     10   12   20      3    8   10   10   11   12   12   13   13   17   20   24   26   27   31   31   37   42   52   60 
LCS_GDT     L   202_A     L   202_A     10   12   20      5    8   10   10   11   12   12   13   13   17   20   24   26   27   29   31   34   39   43   45 
LCS_GDT     L   203_A     L   203_A     10   12   20      5    8   10   10   11   12   12   13   13   15   18   21   23   26   29   31   32   34   37   39 
LCS_GDT     E   204_A     E   204_A     10   12   20      5    8   10   10   11   12   12   13   13   16   19   21   23   26   29   31   34   37   39   42 
LCS_GDT     K   205_A     K   205_A     10   12   19      5    8   10   10   11   12   12   13   13   15   19   21   23   26   29   31   34   37   39   42 
LCS_GDT     I   206_A     I   206_A     10   12   16      5    8   10   10   11   12   12   13   13   15   18   21   23   25   26   28   29   34   37   39 
LCS_GDT     K   207_A     K   207_A      4   12   16      3    4    4    9   11   12   12   13   13   13   13   16   23   25   26   28   28   30   33   37 
LCS_AVERAGE  LCS_A:  11.45  (   5.41    7.03   21.90 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT     16     27     29     31     32     34     40     45     49     51     58     60     65     69     73     76     79     85     86     92 
GDT PERCENT_AT   7.73  13.04  14.01  14.98  15.46  16.43  19.32  21.74  23.67  24.64  28.02  28.99  31.40  33.33  35.27  36.71  38.16  41.06  41.55  44.44
GDT RMS_LOCAL    0.31   0.56   0.62   0.93   1.09   1.48   2.35   2.56   2.77   2.89   3.37   3.51   3.99   4.65   4.81   4.96   5.38   5.93   5.95   7.14
GDT RMS_ALL_AT  20.89  20.73  20.74  20.50  20.60  20.23  20.33  20.31  20.27  20.27  20.24  20.24  20.20  19.94  19.93  19.95  19.97  20.41  19.88  20.03

# Checking swapping
#   possible swapping detected:  D     3_A      D     3_A
#   possible swapping detected:  F     5_A      F     5_A
#   possible swapping detected:  Y    19_A      Y    19_A
#   possible swapping detected:  E    29_A      E    29_A
#   possible swapping detected:  D    46_A      D    46_A
#   possible swapping detected:  D    50_A      D    50_A
#   possible swapping detected:  E    60_A      E    60_A
#   possible swapping detected:  D    66_A      D    66_A
#   possible swapping detected:  Y    74_A      Y    74_A
#   possible swapping detected:  E    75_A      E    75_A
#   possible swapping detected:  Y    83_A      Y    83_A
#   possible swapping detected:  D    84_A      D    84_A
#   possible swapping detected:  F    87_A      F    87_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:  F   119_A      F   119_A
#   possible swapping detected:  Y   120_A      Y   120_A
#   possible swapping detected:  D   122_A      D   122_A
#   possible swapping detected:  E   138_A      E   138_A
#   possible swapping detected:  E   143_A      E   143_A
#   possible swapping detected:  Y   148_A      Y   148_A
#   possible swapping detected:  D   155_A      D   155_A
#   possible swapping detected:  E   164_A      E   164_A
#   possible swapping detected:  Y   169_A      Y   169_A
#   possible swapping detected:  D   177_A      D   177_A
#   possible swapping detected:  D   186_A      D   186_A
#   possible swapping detected:  Y   187_A      Y   187_A
#   possible swapping detected:  Y   197_A      Y   197_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     1_A      G     1_A    49.715     0    0.091   0.091    50.973    0.000    0.000
LGA    I     2_A      I     2_A    47.942     0    0.643   1.586    50.630    0.000    0.000
LGA    D     3_A      D     3_A    40.885     0    0.094   1.261    43.681    0.000    0.000
LGA    P     4_A      P     4_A    36.400     0    0.038   0.105    37.920    0.000    0.000
LGA    F     5_A      F     5_A    32.361     0    0.060   1.391    33.870    0.000    0.000
LGA    T     6_A      T     6_A    37.682     0    0.623   0.574    42.020    0.000    0.000
LGA    W     7_A      W     7_A    38.727     0    0.671   1.299    41.726    0.000    0.000
LGA    G     8_A      G     8_A    37.633     0    0.302   0.302    37.730    0.000    0.000
LGA    F     9_A      F     9_A    37.011     0    0.230   0.291    41.366    0.000    0.000
LGA    G    10_A      G    10_A    32.382     0    0.175   0.175    34.197    0.000    0.000
LGA    G    11_A      G    11_A    29.637     0    0.171   0.171    31.107    0.000    0.000
LGA    S    12_A      S    12_A    26.713     0    0.308   0.630    27.816    0.000    0.000
LGA    S    13_A      S    13_A    28.007     0    0.725   1.077    28.768    0.000    0.000
LGA    K    14_A      K    14_A    27.957     0    0.077   1.436    29.943    0.000    0.000
LGA    E    15_A      E    15_A    27.267     0    0.050   0.188    27.654    0.000    0.000
LGA    K    16_A      K    16_A    28.998     0    0.611   1.236    34.429    0.000    0.000
LGA    P    17_A      P    17_A    26.850     0    0.667   0.875    28.994    0.000    0.000
LGA    N    18_A      N    18_A    28.180     0    0.520   1.191    30.563    0.000    0.000
LGA    Y    19_A      Y    19_A    28.044     0    0.061   0.932    28.399    0.000    0.000
LGA    D    20_A      D    20_A    29.598     0    0.159   0.231    32.121    0.000    0.000
LGA    Y    21_A      Y    21_A    28.620     0    0.702   1.525    28.960    0.000    0.000
LGA    S    22_A      S    22_A    31.093     0    0.646   0.671    34.931    0.000    0.000
LGA    A    23_A      A    23_A    29.947     0    0.646   0.612    29.947    0.000    0.000
LGA    D    24_A      D    24_A    28.953     0    0.527   1.524    31.277    0.000    0.000
LGA    K    25_A      K    25_A    31.636     0    0.560   1.251    40.286    0.000    0.000
LGA    K    26_A      K    26_A    34.543     0    0.056   0.764    43.908    0.000    0.000
LGA    L    27_A      L    27_A    28.832     0    0.023   1.079    30.592    0.000    0.000
LGA    I    28_A      I    28_A    25.661     0    0.071   1.331    27.493    0.000    0.000
LGA    E    29_A      E    29_A    31.808     0    0.085   1.056    38.191    0.000    0.000
LGA    I    30_A      I    30_A    34.246     0    0.156   0.172    37.580    0.000    0.000
LGA    N    31_A      N    31_A    28.703     0    0.477   0.884    30.156    0.000    0.000
LGA    T    32_A      T    32_A    31.890     0    0.648   1.410    36.252    0.000    0.000
LGA    R    33_A      R    33_A    30.949     0    0.048   0.504    36.537    0.000    0.000
LGA    P    34_A      P    34_A    29.617     0    0.602   0.554    33.251    0.000    0.000
LGA    I    35_A      I    35_A    23.628     0    0.262   0.370    25.696    0.000    0.000
LGA    S    36_A      S    36_A    20.482     0    0.166   0.180    21.694    0.000    0.000
LGA    T    37_A      T    37_A    17.785     0    0.257   0.293    18.691    0.000    0.000
LGA    D    38_A      D    38_A    21.681     0    0.544   0.466    23.340    0.000    0.000
LGA    N    39_A      N    39_A    24.205     0    0.044   0.319    29.391    0.000    0.000
LGA    A    40_A      A    40_A    20.725     0    0.086   0.093    21.672    0.000    0.000
LGA    K    41_A      K    41_A    19.417     0    0.082   0.579    22.258    0.000    0.000
LGA    Y    42_A      Y    42_A    22.481     0    0.121   0.358    29.826    0.000    0.000
LGA    W    43_A      W    43_A    24.032     0    0.599   1.224    31.102    0.000    0.000
LGA    C    44_A      C    44_A    23.952     0    0.578   0.811    25.381    0.000    0.000
LGA    F    45_A      F    45_A    28.327     0    0.604   0.580    29.643    0.000    0.000
LGA    D    46_A      D    46_A    29.266     0    0.060   0.882    30.380    0.000    0.000
LGA    K    47_A      K    47_A    31.497     0    0.721   1.474    38.111    0.000    0.000
LGA    G    48_A      G    48_A    28.949     0    0.428   0.428    29.424    0.000    0.000
LGA    N    49_A      N    49_A    23.013     0    0.587   0.818    25.065    0.000    0.000
LGA    D    50_A      D    50_A    20.307     0    0.107   1.125    21.682    0.000    0.000
LGA    L    51_A      L    51_A    21.036     0    0.048   1.067    24.343    0.000    0.000
LGA    G    52_A      G    52_A    18.433     0    0.033   0.033    19.586    0.000    0.000
LGA    C    53_A      C    53_A    14.166     0    0.049   0.873    16.058    0.000    0.000
LGA    L    54_A      L    54_A    14.151     0    0.018   0.152    19.665    0.000    0.000
LGA    S    55_A      S    55_A    13.670     0    0.065   0.080    16.889    0.000    0.000
LGA    L    56_A      L    56_A    11.570     0    0.052   0.189    13.422    0.000    0.000
LGA    E    57_A      E    57_A    10.752     0    0.044   1.059    15.698    0.000    0.000
LGA    K    58_A      K    58_A    10.960     0    0.029   0.822    12.078    0.000    0.000
LGA    L    59_A      L    59_A    10.754     0    0.018   1.022    14.177    0.000    0.000
LGA    E    60_A      E    60_A    12.749     0    0.046   0.924    15.317    0.000    0.000
LGA    A    61_A      A    61_A    14.199     0    0.028   0.045    16.328    0.000    0.000
LGA    L    62_A      L    62_A    13.724     0    0.067   0.159    16.877    0.000    0.000
LGA    E    63_A      E    63_A    17.379     0    0.095   0.717    21.426    0.000    0.000
LGA    S    64_A      S    64_A    21.850     0    0.182   0.251    25.007    0.000    0.000
LGA    K    65_A      K    65_A    21.465     0    0.405   0.804    24.660    0.000    0.000
LGA    D    66_A      D    66_A    24.066     0    0.103   1.029    27.509    0.000    0.000
LGA    L    67_A      L    67_A    22.095     0    0.100   0.995    23.516    0.000    0.000
LGA    K    68_A      K    68_A    25.042     0    0.078   1.502    29.078    0.000    0.000
LGA    K    69_A      K    69_A    22.190     0    0.067   1.063    26.002    0.000    0.000
LGA    V    70_A      V    70_A    16.089     0    0.021   0.093    18.439    0.000    0.000
LGA    V    71_A      V    71_A    17.857     0    0.021   1.033    21.119    0.000    0.000
LGA    K    72_A      K    72_A    21.243     0    0.066   1.045    29.835    0.000    0.000
LGA    F    73_A      F    73_A    16.911     0    0.054   1.377    19.098    0.000    0.000
LGA    Y    74_A      Y    74_A    12.403     0    0.066   1.375    14.051    0.000    2.222
LGA    E    75_A      E    75_A    16.275     0    0.147   0.692    19.056    0.000    0.000
LGA    K    76_A      K    76_A    19.592     0    0.048   0.968    23.992    0.000    0.000
LGA    T    77_A      T    77_A    17.105     0    0.045   1.044    17.768    0.000    0.000
LGA    I    78_A      I    78_A    15.343     0    0.581   1.051    18.134    0.000    0.000
LGA    P    79_A      P    79_A    19.418     0    0.649   0.620    20.723    0.000    0.000
LGA    E    80_A      E    80_A    23.977     0    0.631   1.325    29.243    0.000    0.000
LGA    Y    81_A      Y    81_A    25.992     0    0.596   1.189    28.878    0.000    0.000
LGA    C    82_A      C    82_A    27.196     0    0.529   1.084    27.813    0.000    0.000
LGA    Y    83_A      Y    83_A    28.804     0    0.563   1.278    31.890    0.000    0.000
LGA    D    84_A      D    84_A    29.108     0    0.531   0.806    31.058    0.000    0.000
LGA    K    85_A      K    85_A    29.131     0    0.704   1.101    31.887    0.000    0.000
LGA    K    86_A      K    86_A    27.025     0    0.548   0.972    29.476    0.000    0.000
LGA    F    87_A      F    87_A    22.997     0    0.320   1.390    26.953    0.000    0.000
LGA    A    88_A      A    88_A    19.411     0    0.664   0.639    20.793    0.000    0.000
LGA    P    89_A      P    89_A    16.834     0    0.709   0.791    19.135    0.000    0.000
LGA    A    90_A      A    90_A    10.546     0    0.063   0.061    12.935    5.476    4.381
LGA    C    91_A      C    91_A     7.385     0    0.067   0.121     9.054    7.500    5.476
LGA    N    92_A      N    92_A    10.599     0    0.600   0.993    16.657    2.024    1.012
LGA    I    93_A      I    93_A     6.258     0    0.063   1.399     7.823   19.286   19.940
LGA    P    94_A      P    94_A     5.880     0    0.035   0.090     7.451   21.548   16.599
LGA    A    95_A      A    95_A     7.338     0    0.036   0.041     8.823   12.619   10.667
LGA    I    96_A      I    96_A     6.718     0    0.033   0.144     9.534   18.571   11.667
LGA    D    97_A      D    97_A     3.445     0    0.066   0.452     4.356   48.571   49.345
LGA    L    98_A      L    98_A     2.177     0    0.175   1.112     3.405   57.262   62.262
LGA    I    99_A      I    99_A     3.683     0    0.113   1.118     6.575   41.905   41.548
LGA    Q   100_A      Q   100_A     4.866     0    0.033   1.124     6.232   34.286   27.196
LGA    Q   101_A      Q   101_A     2.915     0    0.104   0.709     3.739   50.119   60.053
LGA    K   102_A      K   102_A     3.745     0    0.085   0.416     5.600   36.548   37.778
LGA    L   103_A      L   103_A     6.586     0    0.066   0.974     8.883   15.714   10.655
LGA    S   104_A      S   104_A     6.108     0    0.034   0.691     6.706   17.262   22.063
LGA    Y   105_A      Y   105_A     5.953     0    0.054   0.478    10.404   15.000   10.754
LGA    Y   106_A      Y   106_A     8.171     0    0.039   0.459     9.842    4.167    8.770
LGA    V   107_A      V   107_A     9.823     0    0.568   0.895    12.107    0.833    0.612
LGA    R   108_A      R   108_A    12.649     0    0.585   1.591    15.918    0.000    0.043
LGA    N   109_A      N   109_A    18.050     0    0.664   0.536    21.604    0.000    0.000
LGA    D   110_A      D   110_A    17.267     0    0.262   1.128    19.716    0.000    0.000
LGA    I   111_A      I   111_A    17.689     0    0.095   0.171    19.199    0.000    0.000
LGA    D   112_A      D   112_A    17.728     0    0.350   1.110    22.425    0.000    0.000
LGA    N   113_A      N   113_A    15.644     0    0.362   0.846    20.837    0.000    0.000
LGA    K   114_A      K   114_A    11.295     0    0.039   0.997    16.602    2.976    1.323
LGA    T   115_A      T   115_A     4.830     0    0.535   0.583     7.386   32.024   25.918
LGA    I   116_A      I   116_A     3.637     0    0.657   0.966     9.046   31.190   24.464
LGA    K   117_A      K   117_A     8.644     0    0.139   0.833    19.221    6.905    3.069
LGA    T   118_A      T   118_A     6.380     0    0.687   0.959     9.524   24.762   15.102
LGA    F   119_A      F   119_A     2.936     0    0.211   1.438    11.829   52.143   25.411
LGA    Y   120_A      Y   120_A     3.749     0    0.565   1.203    11.539   59.524   22.738
LGA    S   121_A      S   121_A     1.206     0    0.032   0.068     3.890   77.262   69.524
LGA    D   122_A      D   122_A     3.344     0    0.039   1.085     5.082   57.262   46.607
LGA    Y   123_A      Y   123_A     2.941     0    0.034   1.311    14.670   65.000   25.952
LGA    A   124_A      A   124_A     3.396     0    0.034   0.050     4.553   50.476   46.667
LGA    K   125_A      K   125_A     4.462     0    0.043   0.733     7.868   37.619   24.233
LGA    A   126_A      A   126_A     3.252     0    0.068   0.070     3.538   53.690   51.619
LGA    L   127_A      L   127_A     1.963     0    0.029   0.956     6.494   58.690   44.286
LGA    S   128_A      S   128_A     6.605     0    0.065   0.605     9.722   14.881   11.190
LGA    E   129_A      E   129_A     7.770     0    0.127   1.078    12.674    8.333    4.815
LGA    S   130_A      S   130_A     4.610     0    0.539   0.746     5.265   30.238   39.206
LGA    K   131_A      K   131_A     8.290     0    0.062   1.195    19.849    7.262    3.228
LGA    A   132_A      A   132_A     8.589     0    0.048   0.051    10.212    8.571    6.857
LGA    D   133_A      D   133_A     5.939     0    0.036   0.888    10.430   20.357   11.667
LGA    V   134_A      V   134_A     7.733     0    0.037   0.106    11.695    8.571    5.170
LGA    K   135_A      K   135_A     8.594     0    0.056   1.086    16.064    6.190    2.804
LGA    M   136_A      M   136_A     5.810     0    0.040   1.125    11.418   20.357   14.821
LGA    L   137_A      L   137_A     8.372     0    0.025   0.957    11.436    4.881    2.440
LGA    E   138_A      E   138_A    11.538     0    0.045   1.212    16.819    0.119    0.053
LGA    Y   139_A      Y   139_A     9.373     0    0.561   1.423    14.374    5.833    1.984
LGA    G   140_A      G   140_A     6.929     0    0.658   0.658     7.862    9.405    9.405
LGA    C   141_A      C   141_A     9.527     0    0.451   1.056    14.256    4.048    2.698
LGA    N   142_A      N   142_A    11.134     0    0.648   0.864    14.201    0.000    0.000
LGA    E   143_A      E   143_A    12.552     0    0.631   1.365    15.808    0.000    0.000
LGA    L   144_A      L   144_A    11.958     0    0.170   0.203    15.825    0.000    0.000
LGA    K   145_A      K   145_A    11.179     0    0.376   0.706    20.913    1.071    0.476
LGA    S   146_A      S   146_A     4.404     0    0.588   0.504     6.484   36.905   46.190
LGA    A   147_A      A   147_A     2.350     0    0.047   0.052     3.199   63.095   63.429
LGA    Y   148_A      Y   148_A     2.807     0    0.055   1.089     7.889   53.571   34.603
LGA    I   149_A      I   149_A     3.994     0    0.030   1.073     5.757   45.000   37.798
LGA    C   150_A      C   150_A     2.511     0    0.033   0.718     3.383   63.214   61.270
LGA    R   151_A      R   151_A     1.587     0    0.048   1.108     6.977   68.810   53.247
LGA    D   152_A      D   152_A     3.827     0    0.029   0.889     7.066   46.667   33.333
LGA    L   153_A      L   153_A     2.778     0    0.031   0.096     3.747   61.190   55.655
LGA    R   154_A      R   154_A     0.864     0    0.042   0.910     3.320   81.548   70.563
LGA    D   155_A      D   155_A     2.859     0    0.026   1.062     5.856   57.262   45.298
LGA    M   156_A      M   156_A     3.296     0    0.047   1.285     9.426   55.357   38.095
LGA    Y   157_A      Y   157_A     1.499     0    0.030   0.304     4.203   77.262   65.079
LGA    K   158_A      K   158_A     2.170     0    0.042   1.004     7.848   62.976   45.079
LGA    Y   159_A      Y   159_A     3.461     0    0.163   1.425     8.449   45.476   32.778
LGA    L   160_A      L   160_A     2.926     0    0.147   0.976     5.652   55.357   48.333
LGA    G   161_A      G   161_A     2.387     0    0.061   0.061     2.394   68.810   68.810
LGA    D   162_A      D   162_A     0.696     0    0.071   0.925     3.734   88.214   76.369
LGA    K   163_A      K   163_A     1.575     0    0.042   0.706     6.154   75.000   59.153
LGA    E   164_A      E   164_A     1.783     0    0.035   0.660     3.757   72.857   60.476
LGA    K   165_A      K   165_A     1.255     0    0.038   1.059     5.393   81.429   68.307
LGA    T   166_A      T   166_A     1.077     0    0.025   1.108     2.872   81.429   74.490
LGA    K   167_A      K   167_A     1.531     0    0.031   0.776     3.900   77.143   69.683
LGA    E   168_A      E   168_A     1.657     0    0.033   0.923     4.277   72.857   65.397
LGA    Y   169_A      Y   169_A     1.204     0    0.068   0.205     3.726   81.429   70.238
LGA    N   170_A      N   170_A     0.979     0    0.047   0.941     4.397   85.952   76.131
LGA    D   171_A      D   171_A     1.480     0    0.027   0.354     1.980   77.143   75.000
LGA    K   172_A      K   172_A     1.643     0    0.051   1.469     6.198   72.857   60.899
LGA    M   173_A      M   173_A     1.520     0    0.101   0.997     3.446   77.143   70.179
LGA    K   174_A      K   174_A     1.566     0    0.175   0.663     2.617   70.833   76.032
LGA    N   175_A      N   175_A     1.489     0    0.598   1.302     5.524   73.571   61.071
LGA    G   176_A      G   176_A     1.553     0    0.161   0.161     4.507   58.571   58.571
LGA    D   177_A      D   177_A     3.963     0    0.600   1.215     8.127   30.595   32.798
LGA    E   178_A      E   178_A     8.019     0    0.682   1.424    11.860    6.667    4.921
LGA    K   179_A      K   179_A    13.272     0    0.073   0.551    20.873    0.000    0.000
LGA    W   180_A      W   180_A    13.859     0    0.564   1.435    18.848    0.000    0.000
LGA    N   181_A      N   181_A    11.824     0    0.258   1.151    13.380    0.000    0.000
LGA    S   182_A      S   182_A    12.164     0    0.159   0.198    13.576    0.000    0.000
LGA    V   183_A      V   183_A    11.183     0    0.659   0.642    12.961    0.000    0.000
LGA    L   184_A      L   184_A    10.477     0    0.062   1.400    12.282    0.000    1.905
LGA    Y   185_A      Y   185_A    10.971     0    0.294   0.584    13.309    0.000    0.159
LGA    D   186_A      D   186_A    14.156     0    0.265   1.118    16.873    0.000    0.000
LGA    Y   187_A      Y   187_A    20.404     0    0.189   1.239    26.390    0.000    0.000
LGA    K   188_A      K   188_A    19.288     0    0.528   1.042    24.146    0.000    0.000
LGA    H   189_A      H   189_A    13.963     0    0.186   0.324    16.630    0.000    2.286
LGA    M   190_A      M   190_A    14.314     0    0.618   1.240    17.644    0.000    0.060
LGA    R   191_A      R   191_A    16.586     0    0.171   1.756    18.887    0.000    0.000
LGA    Y   192_A      Y   192_A    15.803     0    0.590   1.089    19.590    0.000    0.000
LGA    I   193_A      I   193_A    20.844     0    0.050   1.003    25.137    0.000    0.000
LGA    H   194_A      H   194_A    25.605     0    0.680   0.638    32.856    0.000    0.000
LGA    G   195_A      G   195_A    26.493     0    0.215   0.215    26.996    0.000    0.000
LGA    G   196_A      G   196_A    28.238     0    0.755   0.755    30.176    0.000    0.000
LGA    Y   197_A      Y   197_A    28.610     0    0.560   1.205    33.632    0.000    0.000
LGA    S   198_A      S   198_A    27.036     0    0.210   0.802    28.890    0.000    0.000
LGA    S   199_A      S   199_A    30.672     0    0.139   0.640    32.832    0.000    0.000
LGA    W   200_A      W   200_A    32.686     0    0.087   0.205    39.865    0.000    0.000
LGA    W   201_A      W   201_A    31.352     0    0.053   0.190    33.741    0.000    0.000
LGA    L   202_A      L   202_A    33.051     0    0.040   0.180    36.552    0.000    0.000
LGA    L   203_A      L   203_A    37.259     0    0.094   0.740    41.226    0.000    0.000
LGA    E   204_A      E   204_A    39.055     0    0.119   1.192    41.319    0.000    0.000
LGA    K   205_A      K   205_A    40.010     0    0.248   0.938    43.675    0.000    0.000
LGA    I   206_A      I   206_A    43.269     0    0.545   0.857    45.916    0.000    0.000
LGA    K   207_A      K   207_A    47.658     0    0.271   1.670    51.423    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):    19.138         19.089                 19.704           15.916   13.577

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  207  207    4.0     45    2.56    21.618    17.804     1.689

LGA_LOCAL      RMSD:   2.564  Number of atoms:   45  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  20.314  Number of assigned atoms:  207 
Std_ASGN_ATOMS RMSD:  19.138  Standard rmsd on all 207 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.773055 * X  +   0.263282 * Y  +   0.577121 * Z  + -14.077903
  Y_new =   0.248829 * X  +  -0.711020 * Y  +   0.657674 * Z  + -31.966761
  Z_new =   0.583499 * X  +   0.652022 * Y  +   0.484145 * Z  + -18.042152 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.830187 -0.623030  0.932095   [DEG:  162.1578  -35.6970   53.4051 ]
ZXZ:  2.421338  1.065411  0.729993   [DEG:  138.7324   61.0435   41.8255 ]
 
# END of job
