
#######################################################
#                                                     #
#                        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:    67     115_A - 181_A       5.00    20.67
  LONGEST_CONTINUOUS_SEGMENT:    67     116_A - 182_A       4.93    20.64
  LONGEST_CONTINUOUS_SEGMENT:    67     117_A - 183_A       5.00    20.59
  LCS_AVERAGE:     22.74

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    33     144_A - 176_A       1.95    21.65
  LONGEST_CONTINUOUS_SEGMENT:    33     145_A - 177_A       1.80    21.45
  LONGEST_CONTINUOUS_SEGMENT:    33     146_A - 178_A       1.86    21.08
  LCS_AVERAGE:      7.08

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    31     146_A - 176_A       0.75    21.13
  LCS_AVERAGE:      5.47

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    6   13      3    3    3    4    4    6    7   10   11   13   18   20   21   24   24   28   28   32   34   38 
LCS_GDT     I     2_A     I     2_A      5    6   13      3    5    6    6    7    8   10   11   13   15   18   20   21   24   24   28   28   32   34   38 
LCS_GDT     D     3_A     D     3_A      5    6   13      4    5    6    6    7    8   10   11   13   15   18   20   21   24   24   28   28   32   34   38 
LCS_GDT     P     4_A     P     4_A      5    6   13      4    5    6    6    7    8   10   11   13   15   18   20   21   24   24   28   29   32   34   38 
LCS_GDT     F     5_A     F     5_A      5    6   13      4    5    6    6    7    8   10   11   13   15   18   20   21   25   27   28   30   34   36   40 
LCS_GDT     T     6_A     T     6_A      5    6   13      4    5    6    6    7    8   10   11   13   15   18   20   21   25   27   28   30   34   36   38 
LCS_GDT     W     7_A     W     7_A      3    6   13      3    3    3    4    6    6   10   11   13   15   18   20   20   25   27   28   30   34   45   47 
LCS_GDT     G     8_A     G     8_A      5    6   13      3    5    5    5    6    6   10   11   13   15   18   20   25   28   37   44   47   53   59   62 
LCS_GDT     F     9_A     F     9_A      5    6   13      4    5    5    5    5    8   11   12   13   15   18   20   24   27   37   44   47   53   59   62 
LCS_GDT     G    10_A     G    10_A      5    6   13      4    5    5    5    5    5    9   11   11   13   18   20   25   32   37   44   48   53   59   62 
LCS_GDT     G    11_A     G    11_A      5    6   13      4    5    5    5    5    7    9   11   12   14   19   28   31   36   40   44   50   61   68   73 
LCS_GDT     S    12_A     S    12_A      5    7   13      4    5    5    6    7    9   10   12   16   27   28   29   33   41   44   51   61   67   73   80 
LCS_GDT     S    13_A     S    13_A      3    7   13      3    3    4    6    7    7    9   12   16   21   24   28   32   39   42   51   55   62   67   74 
LCS_GDT     K    14_A     K    14_A      3    7   13      3    3    4    6    7    8    9   12   16   21   24   28   32   39   42   51   55   61   67   74 
LCS_GDT     E    15_A     E    15_A      3    7   13      3    3    4    6    7    8    9   12   16   19   24   28   32   35   40   49   52   59   62   71 
LCS_GDT     K    16_A     K    16_A      3    7   22      3    3    4    6    7    7    9   10   14   19   23   27   32   35   40   44   46   54   62   66 
LCS_GDT     P    17_A     P    17_A      3    7   22      3    3    4    5    7    7   10   14   19   22   24   26   31   33   35   36   39   45   50   56 
LCS_GDT     N    18_A     N    18_A      5    7   22      3    4    5    6    7    7   12   14   19   22   24   26   31   33   35   36   43   46   50   56 
LCS_GDT     Y    19_A     Y    19_A      5    6   22      3    4    5    5    8   11   13   14   19   22   24   26   31   33   35   36   38   40   45   47 
LCS_GDT     D    20_A     D    20_A      5    6   22      3    4    5    5    5    9   13   14   17   22   24   26   31   33   35   36   38   38   38   42 
LCS_GDT     Y    21_A     Y    21_A      5    6   22      3    4    5    6    8   11   13   14   19   22   24   26   31   33   35   36   38   38   42   46 
LCS_GDT     S    22_A     S    22_A      5    6   22      3    4    5    5    7   11   13   14   19   22   24   26   31   33   35   36   38   38   39   42 
LCS_GDT     A    23_A     A    23_A      3    6   22      3    3    4    6    8   11   13   14   19   22   24   26   31   33   35   36   38   38   40   42 
LCS_GDT     D    24_A     D    24_A      3    4   22      3    3    3    3    6    7    9   11   14   19   24   26   31   33   35   36   38   38   43   46 
LCS_GDT     K    25_A     K    25_A      7    8   22      7    7    8    8    9    9   10   12   19   22   24   26   31   33   35   36   38   38   42   44 
LCS_GDT     K    26_A     K    26_A      7    8   22      7    7    8    8    9    9   10   12   19   22   24   26   31   33   35   36   38   38   42   44 
LCS_GDT     L    27_A     L    27_A      7    8   22      7    7    8    8    9   11   13   14   19   22   24   26   31   33   35   36   38   38   46   53 
LCS_GDT     I    28_A     I    28_A      7    8   22      7    7    8    8    9   11   13   14   19   22   24   26   31   33   35   36   38   38   46   53 
LCS_GDT     E    29_A     E    29_A      7    8   22      7    7    8    8    9   11   12   14   17   22   24   26   31   33   35   36   38   38   42   47 
LCS_GDT     I    30_A     I    30_A      7    8   22      7    7    8    8    9   11   11   11   14   17   18   22   28   33   35   36   38   38   42   49 
LCS_GDT     N    31_A     N    31_A      7    8   22      7    7    8    8    9    9   10   11   13   15   20   24   29   33   35   36   38   38   46   54 
LCS_GDT     T    32_A     T    32_A      4    8   22      3    4    4    4    7   11   11   11   16   18   21   25   31   33   35   36   38   38   43   53 
LCS_GDT     R    33_A     R    33_A      4    6   22      3    4    4    5    7   11   13   14   16   20   24   26   31   33   35   36   38   41   47   56 
LCS_GDT     P    34_A     P    34_A      4   10   22      3    4    4    7    9   11   12   14   15   19   24   26   31   33   35   36   39   41   45   49 
LCS_GDT     I    35_A     I    35_A      4   10   22      3    4    4    7    9   11   12   14   19   22   24   26   31   33   35   36   39   41   45   50 
LCS_GDT     S    36_A     S    36_A      4   10   22      3    3    4    5    9   11   13   14   19   22   24   26   31   33   35   37   41   49   53   59 
LCS_GDT     T    37_A     T    37_A      7   10   22      5    7    7    7    7   10   12   14   17   22   24   26   31   33   37   41   44   50   55   62 
LCS_GDT     D    38_A     D    38_A      7   10   22      6    7    7    7    9   11   12   14   14   18   22   28   34   38   43   51   59   65   68   74 
LCS_GDT     N    39_A     N    39_A      7   10   22      6    7    7    7    9   11   12   14   14   21   23   28   34   38   43   50   59   65   69   74 
LCS_GDT     A    40_A     A    40_A      7   10   22      6    7    7    7    9   11   12   14   19   22   24   27   31   36   42   47   55   65   68   73 
LCS_GDT     K    41_A     K    41_A      7   10   27      6    7    7    7    9   11   12   14   15   18   21   26   31   38   43   51   59   65   69   74 
LCS_GDT     Y    42_A     Y    42_A      7   10   27      6    7    7    7    9   11   14   17   23   28   32   37   39   42   48   55   61   67   71   78 
LCS_GDT     W    43_A     W    43_A      7   10   47      6    7    7    7    8   11   12   17   21   27   32   37   39   42   48   55   61   67   71   78 
LCS_GDT     C    44_A     C    44_A      4    8   47      3    3    4    5    9   10   12   14   19   22   24   31   36   39   48   54   59   67   71   78 
LCS_GDT     F    45_A     F    45_A      4    5   48      3    4    4    6    8   10   13   14   19   22   24   28   33   38   44   52   59   67   71   78 
LCS_GDT     D    46_A     D    46_A      4    5   52      3    4    4    5    9   11   12   14   23   30   34   38   42   47   49   53   61   67   71   78 
LCS_GDT     K    47_A     K    47_A      4    5   54      3    4    5    6    6    7   16   17   18   24   34   39   44   47   50   55   56   62   68   74 
LCS_GDT     G    48_A     G    48_A      4   18   54      3    4    5    6    8   11   14   18   19   30   34   39   44   47   50   55   60   67   71   78 
LCS_GDT     N    49_A     N    49_A     17   18   54      5   10   14   17   17   24   27   30   32   37   42   45   47   49   51   55   61   68   73   84 
LCS_GDT     D    50_A     D    50_A     17   18   54      7   12   15   17   20   24   27   30   32   37   42   45   47   49   51   63   70   75   81   86 
LCS_GDT     L    51_A     L    51_A     17   18   54      7   12   15   17   20   23   27   29   32   37   42   45   47   49   51   55   61   68   78   85 
LCS_GDT     G    52_A     G    52_A     17   18   54      7   12   15   17   17   17   24   30   32   37   42   45   47   49   51   55   66   75   80   86 
LCS_GDT     C    53_A     C    53_A     17   18   54      7   12   15   17   20   24   27   30   32   37   42   45   47   55   61   68   72   78   86   89 
LCS_GDT     L    54_A     L    54_A     17   18   54      7   12   15   17   17   17   23   29   32   37   42   45   47   53   61   65   72   78   86   89 
LCS_GDT     S    55_A     S    55_A     17   18   54      8   12   15   17   19   23   27   29   32   37   42   45   47   58   65   74   75   78   86   89 
LCS_GDT     L    56_A     L    56_A     17   18   54      7   12   15   17   20   24   27   30   32   37   43   51   57   65   68   74   76   79   86   89 
LCS_GDT     E    57_A     E    57_A     17   18   54      8   12   29   32   32   33   34   37   41   44   52   57   63   68   71   74   77   80   86   91 
LCS_GDT     K    58_A     K    58_A     17   18   54      8   12   15   17   17   33   34   37   41   44   52   57   63   68   71   74   77   80   86   91 
LCS_GDT     L    59_A     L    59_A     17   18   54      8   12   15   17   17   19   25   30   33   41   48   55   62   68   71   74   77   80   86   91 
LCS_GDT     E    60_A     E    60_A     17   18   54      8   12   15   17   20   24   27   30   32   37   42   45   47   50   55   73   76   80   86   91 
LCS_GDT     A    61_A     A    61_A     17   18   54      7   12   15   17   17   17   32   32   35   40   46   51   53   59   62   73   76   80   86   91 
LCS_GDT     L    62_A     L    62_A     17   18   54      8   12   15   17   20   24   27   30   32   37   43   49   53   57   61   73   76   80   86   91 
LCS_GDT     E    63_A     E    63_A     17   18   54      8   12   15   17   17   17   23   27   31   36   41   45   47   47   51   55   57   65   77   89 
LCS_GDT     S    64_A     S    64_A     17   18   54      8   12   15   17   17   22   24   27   31   37   41   45   47   49   51   55   57   64   77   89 
LCS_GDT     K    65_A     K    65_A     17   18   54      8   11   15   17   20   24   27   30   32   37   42   45   47   49   51   55   68   74   80   90 
LCS_GDT     D    66_A     D    66_A     12   15   54      8   11   14   16   20   24   27   30   32   37   42   45   47   49   51   55   57   64   74   83 
LCS_GDT     L    67_A     L    67_A     12   15   54      8   11   14   16   20   24   27   30   32   37   42   45   47   49   51   55   59   65   77   89 
LCS_GDT     K    68_A     K    68_A     12   15   54      8   11   14   16   20   24   27   30   32   37   42   45   47   49   51   55   58   63   70   79 
LCS_GDT     K    69_A     K    69_A     12   15   54      8   11   14   16   20   24   27   30   32   37   42   45   47   49   51   55   60   67   73   89 
LCS_GDT     V    70_A     V    70_A     12   15   54      7   11   14   16   20   24   27   30   35   38   42   45   53   54   56   62   72   77   84   90 
LCS_GDT     V    71_A     V    71_A     12   15   54      8   11   14   16   20   24   27   30   32   37   42   45   47   49   52   56   65   71   84   90 
LCS_GDT     K    72_A     K    72_A     12   15   54      8   11   14   16   20   24   27   30   32   37   42   45   47   49   51   55   61   67   75   84 
LCS_GDT     F    73_A     F    73_A     12   15   54      8   11   14   16   20   28   34   34   36   38   42   45   47   49   55   62   68   77   84   89 
LCS_GDT     Y    74_A     Y    74_A     12   15   54      4   11   14   16   25   29   34   35   36   38   42   49   53   56   62   67   75   80   86   91 
LCS_GDT     E    75_A     E    75_A     12   15   54      5   11   14   16   22   29   34   34   36   38   42   45   47   49   55   63   68   77   84   89 
LCS_GDT     K    76_A     K    76_A     12   15   54      4    5   11   15   20   24   27   30   32   38   42   45   47   49   51   57   66   71   77   88 
LCS_GDT     T    77_A     T    77_A      6   15   54      3    5    7   15   20   24   27   30   32   37   42   45   47   49   55   63   68   77   82   89 
LCS_GDT     I    78_A     I    78_A      6   15   54      3    5   10   15   20   24   27   30   32   37   42   45   47   50   59   63   70   77   82   89 
LCS_GDT     P    79_A     P    79_A      6   15   54      3    4    7   15   20   24   27   30   32   37   42   45   47   49   55   63   68   75   79   88 
LCS_GDT     E    80_A     E    80_A      4    6   54      3    4    6    6    7    9   12   24   30   36   42   45   47   49   51   55   59   67   71   80 
LCS_GDT     Y    81_A     Y    81_A      4    6   54      3    4    6    6    7    7    9   19   28   32   39   41   47   49   51   55   61   67   71   78 
LCS_GDT     C    82_A     C    82_A      4    6   54      3    4    4    5    7   12   15   21   27   32   36   40   44   47   49   55   61   67   71   78 
LCS_GDT     Y    83_A     Y    83_A      3    5   54      3    3   12   16   17   20   24   30   32   37   40   45   47   49   51   55   61   67   71   78 
LCS_GDT     D    84_A     D    84_A      4    6   54      3    4    9   15   20   24   27   30   32   37   42   45   47   49   51   55   61   67   71   78 
LCS_GDT     K    85_A     K    85_A      4    6   54      3    6   12   15   20   24   27   30   32   37   42   45   47   49   51   55   61   67   71   78 
LCS_GDT     K    86_A     K    86_A      4    6   54      3    6   10   15   20   24   27   30   32   37   42   45   47   49   51   55   61   67   71   78 
LCS_GDT     F    87_A     F    87_A      4    6   54      3    4    6   15   19   24   27   30   32   37   42   45   47   49   51   55   61   68   73   80 
LCS_GDT     A    88_A     A    88_A      4    6   54      2    3    4    9   17   24   27   30   32   37   42   45   47   49   51   55   61   70   74   81 
LCS_GDT     P    89_A     P    89_A      4    6   54      3    4    9   15   20   24   27   30   32   37   42   45   47   49   51   57   63   70   74   84 
LCS_GDT     A    90_A     A    90_A      4    6   54      3    4    4    6    8    9   13   18   28   32   36   39   54   56   62   65   72   78   86   89 
LCS_GDT     C    91_A     C    91_A      4   10   54      3    4    4    7    9   14   18   18   24   39   47   55   60   66   70   74   77   81   86   91 
LCS_GDT     N    92_A     N    92_A      8   17   54      6    7    9   12   16   17   18   29   32   37   42   45   47   49   62   65   72   78   86   88 
LCS_GDT     I    93_A     I    93_A      8   17   54      6    7    9   13   16   17   18   19   27   35   50   58   64   69   73   76   79   82   86   91 
LCS_GDT     P    94_A     P    94_A      8   17   54      6    7   11   13   16   17   18   32   36   48   57   61   65   70   73   76   79   83   86   91 
LCS_GDT     A    95_A     A    95_A      8   17   54      6    7    9   13   16   19   22   25   29   32   35   52   57   62   72   76   79   81   86   91 
LCS_GDT     I    96_A     I    96_A      8   17   54      6    7    9   14   20   23   27   29   34   39   44   52   62   69   73   76   79   82   86   91 
LCS_GDT     D    97_A     D    97_A      8   17   54      6   11   14   16   23   31   40   45   47   50   57   63   65   70   73   76   79   83   86   91 
LCS_GDT     L    98_A     L    98_A     11   17   54      5    9   16   21   27   31   40   45   47   50   57   63   65   70   73   76   79   83   86   91 
LCS_GDT     I    99_A     I    99_A     11   17   54      4    9   11   13   23   31   40   45   47   50   57   63   65   70   73   76   79   83   86   91 
LCS_GDT     Q   100_A     Q   100_A     11   17   54      5    9   11   13   16   17   37   43   47   50   57   63   65   70   73   76   79   83   86   91 
LCS_GDT     Q   101_A     Q   101_A     11   17   53      4    9   11   13   26   31   40   45   47   50   57   63   65   70   73   76   79   83   86   91 
LCS_GDT     K   102_A     K   102_A     11   17   29      5    9   11   13   16   18   39   45   47   50   57   63   65   70   73   76   79   83   86   91 
LCS_GDT     L   103_A     L   103_A     11   17   29      5    9   11   13   16   17   18   18   25   45   56   63   65   70   73   76   79   83   86   91 
LCS_GDT     S   104_A     S   104_A     11   17   29      5    9   11   13   16   17   27   30   39   50   56   63   65   70   73   76   79   83   86   91 
LCS_GDT     Y   105_A     Y   105_A     11   17   29      5    9   11   13   16   17   18   18   39   45   55   63   65   70   73   76   79   83   86   91 
LCS_GDT     Y   106_A     Y   106_A     11   17   29      5    9   11   13   16   17   18   18   22   23   27   29   42   67   71   76   79   83   86   91 
LCS_GDT     V   107_A     V   107_A     11   17   29      4    9   11   13   16   17   18   18   22   23   27   29   37   44   66   74   78   83   86   91 
LCS_GDT     R   108_A     R   108_A     11   17   29      4    7   11   12   14   17   18   18   22   23   27   29   41   51   59   72   78   83   86   91 
LCS_GDT     N   109_A     N   109_A      5   13   29      4    5    6    6    7   10   17   18   22   23   27   29   35   43   59   68   73   79   84   90 
LCS_GDT     D   110_A     D   110_A      5    8   29      4    5    6    7    9   12   17   18   22   23   35   46   52   61   70   74   78   83   86   90 
LCS_GDT     I   111_A     I   111_A      5    8   29      4    5    6    6    9    9   11   16   23   28   32   35   40   48   56   62   67   78   83   88 
LCS_GDT     D   112_A     D   112_A      5    8   29      3    5    6    6    7    9   12   15   20   22   25   33   38   44   50   55   61   68   74   80 
LCS_GDT     N   113_A     N   113_A      3    8   29      3    3    4    6    9   10   11   15   20   22   25   30   36   39   45   54   61   67   74   80 
LCS_GDT     K   114_A     K   114_A      3    8   29      3    3    5    7    9   10   11   15   20   22   25   32   36   46   62   70   74   77   83   88 
LCS_GDT     T   115_A     T   115_A      3    8   67      3    3    5    7    9   10   12   20   27   37   43   57   62   70   72   76   79   82   86   89 
LCS_GDT     I   116_A     I   116_A      3    5   67      1    3    4    7   11   14   29   34   44   48   56   61   65   70   73   76   79   83   86   91 
LCS_GDT     K   117_A     K   117_A      3    5   67      0    3    4    5    9   16   20   25   42   46   56   60   65   70   73   76   79   82   86   89 
LCS_GDT     T   118_A     T   118_A      3    5   67      4    5    5    5   15   24   33   43   46   50   57   63   65   70   73   76   79   83   86   91 
LCS_GDT     F   119_A     F   119_A      3   13   67     11   19   27   31   32   34   40   45   47   50   57   63   65   70   73   76   79   83   86   91 
LCS_GDT     Y   120_A     Y   120_A     12   13   67      9   11   12   12   13   14   32   41   47   50   57   61   65   70   73   76   79   83   86   91 
LCS_GDT     S   121_A     S   121_A     12   13   67      9   11   18   25   30   34   40   45   47   50   57   63   65   70   73   76   79   83   86   91 
LCS_GDT     D   122_A     D   122_A     12   13   67      9   11   12   12   25   33   40   45   47   50   57   63   65   70   73   76   79   83   86   91 
LCS_GDT     Y   123_A     Y   123_A     12   13   67      9   11   12   13   25   32   40   45   47   50   57   63   65   70   73   76   79   83   86   91 
LCS_GDT     A   124_A     A   124_A     12   13   67      9   11   13   20   25   32   40   45   47   50   57   63   65   70   73   76   79   83   86   91 
LCS_GDT     K   125_A     K   125_A     12   13   67      9   11   12   12   14   28   39   45   47   50   57   63   65   70   73   76   79   83   86   91 
LCS_GDT     A   126_A     A   126_A     12   13   67      9   11   12   12   26   32   40   45   47   50   57   63   65   70   73   76   79   83   86   91 
LCS_GDT     L   127_A     L   127_A     12   13   67      9   11   16   24   30   34   40   45   47   50   57   63   65   70   73   76   79   83   86   91 
LCS_GDT     S   128_A     S   128_A     12   13   67      9   11   12   12   15   25   33   39   47   50   57   63   65   70   73   76   79   83   86   91 
LCS_GDT     E   129_A     E   129_A     12   13   67      7   11   12   12   13   23   27   29   37   50   57   63   65   70   73   76   79   83   86   91 
LCS_GDT     S   130_A     S   130_A     12   13   67      5   11   13   15   19   31   39   45   47   50   57   63   65   70   73   76   79   83   86   91 
LCS_GDT     K   131_A     K   131_A     12   13   67      6    9   12   12   13   14   26   36   45   50   57   63   65   70   73   76   79   83   86   91 
LCS_GDT     A   132_A     A   132_A     10   13   67      7    9   10   11   11   11   13   16   28   43   49   60   63   70   73   76   79   83   86   91 
LCS_GDT     D   133_A     D   133_A     10   11   67      7    9   10   11   11   14   19   43   47   50   56   63   65   70   73   76   79   83   86   91 
LCS_GDT     V   134_A     V   134_A     10   11   67      7    9   10   11   11   15   20   25   36   50   57   63   65   70   73   76   79   83   86   91 
LCS_GDT     K   135_A     K   135_A     10   11   67      7    9   10   11   13   23   26   40   47   50   57   63   65   70   73   76   79   83   86   91 
LCS_GDT     M   136_A     M   136_A     10   11   67      7    9   10   11   12   31   39   45   47   50   57   63   65   70   73   76   79   83   86   91 
LCS_GDT     L   137_A     L   137_A     10   11   67      7    9   10   11   11   11   14   17   22   28   42   61   65   70   73   76   79   83   86   91 
LCS_GDT     E   138_A     E   138_A     10   11   67      7    9   10   11   11   11   12   15   20   25   32   42   49   68   71   74   78   82   86   91 
LCS_GDT     Y   139_A     Y   139_A     10   11   67      4    9   10   11   11   23   25   40   47   50   57   61   64   70   73   76   79   83   86   91 
LCS_GDT     G   140_A     G   140_A     10   11   67      4    7   10   11   11   11   17   33   47   50   57   63   65   70   73   76   79   83   86   91 
LCS_GDT     C   141_A     C   141_A      4    5   67      3    4    4    5    6    9   11   15   21   35   55   61   65   68   73   76   79   83   86   91 
LCS_GDT     N   142_A     N   142_A      4    5   67      3    4    4    6    9   11   18   30   40   48   57   59   63   68   72   74   78   82   86   91 
LCS_GDT     E   143_A     E   143_A      4    5   67      3    4    4    6    7   11   16   25   35   46   54   59   63   68   72   74   77   79   85   91 
LCS_GDT     L   144_A     L   144_A      3   33   67      3    4    4    6    7   13   16   23   35   41   54   58   63   68   72   74   77   79   84   91 
LCS_GDT     K   145_A     K   145_A      3   33   67      3    3    4    4    5    8   13   23   32   41   48   56   63   68   72   74   77   79   86   91 
LCS_GDT     S   146_A     S   146_A     31   33   67     17   28   31   32   32   34   39   44   47   50   57   60   65   70   73   76   79   83   86   91 
LCS_GDT     A   147_A     A   147_A     31   33   67      5   28   31   32   32   34   40   45   47   50   57   63   65   70   73   76   79   83   86   91 
LCS_GDT     Y   148_A     Y   148_A     31   33   67     17   28   31   32   32   34   40   45   47   50   57   63   65   70   73   76   79   83   86   91 
LCS_GDT     I   149_A     I   149_A     31   33   67     17   28   31   32   32   34   40   45   47   50   57   63   65   70   73   76   79   83   86   91 
LCS_GDT     C   150_A     C   150_A     31   33   67     17   28   31   32   32   34   40   45   47   50   57   63   65   70   73   76   79   83   86   91 
LCS_GDT     R   151_A     R   151_A     31   33   67     16   28   31   32   32   34   40   45   47   50   57   63   65   70   73   76   79   83   86   91 
LCS_GDT     D   152_A     D   152_A     31   33   67     16   28   31   32   32   34   40   45   47   50   57   63   65   70   73   76   79   83   86   91 
LCS_GDT     L   153_A     L   153_A     31   33   67     17   28   31   32   32   34   40   45   47   50   57   63   65   70   73   76   79   83   86   91 
LCS_GDT     R   154_A     R   154_A     31   33   67     16   28   31   32   32   34   40   45   47   50   57   63   65   70   73   76   79   83   86   91 
LCS_GDT     D   155_A     D   155_A     31   33   67     16   28   31   32   32   34   40   45   47   50   57   63   65   70   73   76   79   83   86   91 
LCS_GDT     M   156_A     M   156_A     31   33   67     17   28   31   32   32   34   40   45   47   50   57   63   65   70   73   76   79   83   86   91 
LCS_GDT     Y   157_A     Y   157_A     31   33   67     17   28   31   32   32   34   40   45   47   50   57   63   65   70   73   76   79   83   86   91 
LCS_GDT     K   158_A     K   158_A     31   33   67     17   28   31   32   32   34   40   45   47   50   57   63   65   70   73   76   79   83   86   91 
LCS_GDT     Y   159_A     Y   159_A     31   33   67     17   28   31   32   32   34   39   45   47   50   57   63   65   70   73   76   79   83   86   91 
LCS_GDT     L   160_A     L   160_A     31   33   67     17   28   31   32   32   34   40   45   47   50   57   63   65   70   73   76   79   83   86   91 
LCS_GDT     G   161_A     G   161_A     31   33   67     17   28   31   32   32   34   40   45   47   50   57   63   65   70   73   76   79   83   86   91 
LCS_GDT     D   162_A     D   162_A     31   33   67     17   28   31   32   32   34   40   45   47   50   57   63   65   70   73   76   79   83   86   91 
LCS_GDT     K   163_A     K   163_A     31   33   67     17   28   31   32   32   34   40   45   47   50   57   63   65   70   73   76   79   83   86   91 
LCS_GDT     E   164_A     E   164_A     31   33   67     17   28   31   32   32   34   40   45   47   50   57   63   65   70   73   76   79   83   86   91 
LCS_GDT     K   165_A     K   165_A     31   33   67     17   28   31   32   32   34   40   45   47   50   57   63   65   70   73   76   79   83   86   91 
LCS_GDT     T   166_A     T   166_A     31   33   67     16   28   31   32   32   34   40   45   47   50   57   63   65   70   73   76   79   83   86   91 
LCS_GDT     K   167_A     K   167_A     31   33   67     17   28   31   32   32   34   40   45   47   50   57   63   65   70   73   76   79   83   86   91 
LCS_GDT     E   168_A     E   168_A     31   33   67     17   28   31   32   32   34   40   45   47   50   57   63   65   70   73   76   79   83   86   91 
LCS_GDT     Y   169_A     Y   169_A     31   33   67     17   28   31   32   32   34   40   45   47   50   57   63   65   70   73   76   79   83   86   91 
LCS_GDT     N   170_A     N   170_A     31   33   67     11   28   31   32   32   34   40   45   47   50   57   63   65   70   73   76   79   83   86   91 
LCS_GDT     D   171_A     D   171_A     31   33   67     14   28   31   32   32   34   40   45   47   50   57   63   65   70   73   76   79   83   86   91 
LCS_GDT     K   172_A     K   172_A     31   33   67     15   28   31   32   32   34   40   45   47   50   57   63   65   70   73   76   79   83   86   91 
LCS_GDT     M   173_A     M   173_A     31   33   67     17   28   31   32   32   34   40   45   47   50   57   63   65   70   73   76   79   83   86   91 
LCS_GDT     K   174_A     K   174_A     31   33   67      7   23   31   32   32   34   40   45   47   50   57   63   65   70   73   76   79   83   86   91 
LCS_GDT     N   175_A     N   175_A     31   33   67      6   24   31   32   32   34   40   45   47   50   56   63   65   70   73   76   79   83   86   91 
LCS_GDT     G   176_A     G   176_A     31   33   67      6   24   31   32   32   34   40   45   47   50   57   63   65   70   73   76   79   83   86   91 
LCS_GDT     D   177_A     D   177_A      3   33   67      3    4    4    6    7   13   22   29   36   50   54   59   63   69   73   76   79   83   86   91 
LCS_GDT     E   178_A     E   178_A      3   33   67      3    4    4    6    8   13   22   31   37   43   55   63   65   70   73   76   79   83   86   91 
LCS_GDT     K   179_A     K   179_A      4    5   67      4    4    4    5    5    7   11   27   37   48   55   63   65   70   73   76   79   83   86   91 
LCS_GDT     W   180_A     W   180_A      4    6   67      4    4    4    5    6   10   15   29   34   45   53   63   65   70   73   76   79   83   86   90 
LCS_GDT     N   181_A     N   181_A      4    6   67      4    4    6    7    9   11   14   29   42   48   56   63   65   70   73   76   79   83   86   91 
LCS_GDT     S   182_A     S   182_A      4    6   67      4    4    4    7    9   11   14   30   42   48   56   63   65   70   73   76   79   83   86   91 
LCS_GDT     V   183_A     V   183_A      3    7   67      3    3    3    5    6    8   18   24   39   46   53   58   65   70   73   76   79   83   86   91 
LCS_GDT     L   184_A     L   184_A      3    7   48      3    3    3    7    9   12   16   24   30   38   48   56   65   70   72   76   79   83   86   90 
LCS_GDT     Y   185_A     Y   185_A      6    9   48      3    7    8    8   11   17   25   29   35   42   48   63   65   70   72   76   79   83   86   91 
LCS_GDT     D   186_A     D   186_A      6    9   48      5    5    6    7    9   11   14   15   23   32   35   42   50   58   70   74   78   83   86   89 
LCS_GDT     Y   187_A     Y   187_A      6    9   48      5    5    6    7    9   11   14   15   16   17   19   21   25   40   45   52   59   67   73   82 
LCS_GDT     K   188_A     K   188_A      6    9   48      5    5    6    7    9   11   14   15   16   17   21   24   33   39   44   45   50   55   59   64 
LCS_GDT     H   189_A     H   189_A      6    9   48      5    5    6    7    9   11   14   15   28   32   35   44   48   58   70   74   78   83   86   89 
LCS_GDT     M   190_A     M   190_A      6    9   48      5    5    6    7    8   17   25   28   32   38   45   51   57   66   72   74   78   83   86   90 
LCS_GDT     R   191_A     R   191_A      4    9   48      3    4    4    5    7    8   12   23   28   37   44   49   54   61   68   74   78   83   86   90 
LCS_GDT     Y   192_A     Y   192_A      4    9   48      4    4    4    5    7   10   14   17   27   34   43   48   54   61   68   74   78   83   86   90 
LCS_GDT     I   193_A     I   193_A      4    9   24      4    5    6    7    8   10   12   14   16   17   19   20   33   35   39   51   61   67   75   82 
LCS_GDT     H   194_A     H   194_A      4    9   24      4    4    4    7    8   10   12   14   16   17   19   22   30   35   41   47   55   64   69   75 
LCS_GDT     G   195_A     G   195_A      4    5   24      4    4    6    8   10   10   14   15   16   23   31   36   40   45   55   61   64   70   76   82 
LCS_GDT     G   196_A     G   196_A      4   12   24      4    4    4    5    8   11   14   15   16   17   20   30   35   45   55   61   64   70   76   82 
LCS_GDT     Y   197_A     Y   197_A     10   12   24      4    9   10   10   11   11   14   15   16   17   19   21   23   30   35   42   49   57   63   70 
LCS_GDT     S   198_A     S   198_A     10   12   24      4    7   10   10   11   11   12   15   15   17   19   22   24   28   31   39   44   51   56   65 
LCS_GDT     S   199_A     S   199_A     10   12   24      4    9   10   10   11   11   12   12   13   16   19   22   24   26   27   30   33   37   40   45 
LCS_GDT     W   200_A     W   200_A     10   12   24      4    9   10   10   11   11   12   12   13   17   18   21   23   27   27   29   33   37   40   45 
LCS_GDT     W   201_A     W   201_A     10   12   24      4    9   10   10   11   11   12   12   14   17   19   22   24   27   31   31   33   39   41   47 
LCS_GDT     L   202_A     L   202_A     10   12   24      4    9   10   10   11   11   12   12   13   16   19   22   24   27   31   31   33   37   40   46 
LCS_GDT     L   203_A     L   203_A     10   12   22      4    9   10   10   11   11   12   12   13   16   18   20   22   26   30   30   32   37   40   45 
LCS_GDT     E   204_A     E   204_A     10   12   22      4    9   10   10   11   11   12   12   13   14   18   21   23   27   31   31   33   37   40   45 
LCS_GDT     K   205_A     K   205_A     10   12   22      4    9   10   10   11   11   12   12   13   16   18   20   22   25   30   30   33   37   40   45 
LCS_GDT     I   206_A     I   206_A     10   12   22      4    9   10   10   11   11   12   12   13   17   20   21   23   26   34   36   36   37   40   44 
LCS_GDT     K   207_A     K   207_A      7   12   21      3    3    3    9   11   11   11   12   13   13   17   20   22   26   30   36   36   37   40   44 
LCS_AVERAGE  LCS_A:  11.76  (   5.47    7.08   22.74 )

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     17     28     31     32     32     34     40     45     47     50     57     63     65     70     73     76     79     83     86     91 
GDT PERCENT_AT   8.21  13.53  14.98  15.46  15.46  16.43  19.32  21.74  22.71  24.15  27.54  30.43  31.40  33.82  35.27  36.71  38.16  40.10  41.55  43.96
GDT RMS_LOCAL    0.35   0.54   0.75   0.95   0.95   1.41   2.31   2.58   2.67   2.87   3.65   3.99   3.94   4.37   4.42   4.63   4.82   5.52   5.70   6.06
GDT RMS_ALL_AT  21.32  21.22  21.13  21.19  21.19  20.80  20.77  20.72  20.77  20.79  20.77  20.57  20.68  20.65  20.73  20.69  20.67  20.37  20.41  20.53

# Checking swapping
#   possible swapping detected:  D     3_A      D     3_A
#   possible swapping detected:  F     9_A      F     9_A
#   possible swapping detected:  Y    19_A      Y    19_A
#   possible swapping detected:  D    20_A      D    20_A
#   possible swapping detected:  D    24_A      D    24_A
#   possible swapping detected:  E    29_A      E    29_A
#   possible swapping detected:  Y    42_A      Y    42_A
#   possible swapping detected:  D    50_A      D    50_A
#   possible swapping detected:  E    57_A      E    57_A
#   possible swapping detected:  E    60_A      E    60_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:  E    80_A      E    80_A
#   possible swapping detected:  Y    81_A      Y    81_A
#   possible swapping detected:  Y    83_A      Y    83_A
#   possible swapping detected:  Y   105_A      Y   105_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:  Y   123_A      Y   123_A
#   possible swapping detected:  E   129_A      E   129_A
#   possible swapping detected:  E   138_A      E   138_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:  E   178_A      E   178_A
#   possible swapping detected:  Y   187_A      Y   187_A
#   possible swapping detected:  Y   192_A      Y   192_A
#   possible swapping detected:  E   204_A      E   204_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     1_A      G     1_A    49.764     0    0.245   0.245    50.678    0.000    0.000
LGA    I     2_A      I     2_A    46.972     0    0.620   1.092    49.383    0.000    0.000
LGA    D     3_A      D     3_A    39.721     0    0.167   1.363    42.433    0.000    0.000
LGA    P     4_A      P     4_A    35.433     0    0.062   0.142    37.001    0.000    0.000
LGA    F     5_A      F     5_A    31.273     0    0.546   1.140    33.000    0.000    0.000
LGA    T     6_A      T     6_A    36.593     0    0.553   1.330    40.980    0.000    0.000
LGA    W     7_A      W     7_A    35.365     0    0.662   0.914    36.815    0.000    0.000
LGA    G     8_A      G     8_A    32.068     0    0.675   0.675    32.916    0.000    0.000
LGA    F     9_A      F     9_A    36.163     0    0.072   1.427    42.742    0.000    0.000
LGA    G    10_A      G    10_A    35.606     0    0.202   0.202    35.606    0.000    0.000
LGA    G    11_A      G    11_A    30.833     0    0.029   0.029    32.244    0.000    0.000
LGA    S    12_A      S    12_A    25.436     0    0.295   0.373    27.472    0.000    0.000
LGA    S    13_A      S    13_A    24.978     0    0.143   0.122    25.795    0.000    0.000
LGA    K    14_A      K    14_A    25.689     0    0.174   0.995    27.490    0.000    0.000
LGA    E    15_A      E    15_A    26.337     0    0.182   0.760    26.623    0.000    0.000
LGA    K    16_A      K    16_A    28.786     0    0.204   0.313    32.210    0.000    0.000
LGA    P    17_A      P    17_A    28.604     0    0.659   0.825    31.530    0.000    0.000
LGA    N    18_A      N    18_A    32.670     0    0.352   0.768    34.767    0.000    0.000
LGA    Y    19_A      Y    19_A    32.503     0    0.359   1.438    33.486    0.000    0.000
LGA    D    20_A      D    20_A    32.118     0    0.042   0.919    36.150    0.000    0.000
LGA    Y    21_A      Y    21_A    31.200     0    0.700   1.172    33.150    0.000    0.000
LGA    S    22_A      S    22_A    34.199     0    0.634   0.648    37.847    0.000    0.000
LGA    A    23_A      A    23_A    33.336     0    0.662   0.638    33.336    0.000    0.000
LGA    D    24_A      D    24_A    32.554     0    0.382   1.165    33.876    0.000    0.000
LGA    K    25_A      K    25_A    33.651     0    0.582   1.229    39.856    0.000    0.000
LGA    K    26_A      K    26_A    37.082     0    0.057   0.788    46.834    0.000    0.000
LGA    L    27_A      L    27_A    31.648     0    0.021   0.952    33.275    0.000    0.000
LGA    I    28_A      I    28_A    28.952     0    0.055   0.978    30.913    0.000    0.000
LGA    E    29_A      E    29_A    35.216     0    0.078   1.043    40.810    0.000    0.000
LGA    I    30_A      I    30_A    36.844     0    0.671   0.525    40.834    0.000    0.000
LGA    N    31_A      N    31_A    32.094     0    0.113   0.878    33.181    0.000    0.000
LGA    T    32_A      T    32_A    36.072     0    0.758   0.962    40.419    0.000    0.000
LGA    R    33_A      R    33_A    35.156     0    0.286   1.152    35.537    0.000    0.000
LGA    P    34_A      P    34_A    34.821     0    0.241   0.259    36.135    0.000    0.000
LGA    I    35_A      I    35_A    32.302     0    0.101   0.708    34.234    0.000    0.000
LGA    S    36_A      S    36_A    28.898     0    0.188   0.701    30.225    0.000    0.000
LGA    T    37_A      T    37_A    24.010     0    0.724   0.680    25.704    0.000    0.000
LGA    D    38_A      D    38_A    23.327     0    0.045   1.052    26.818    0.000    0.000
LGA    N    39_A      N    39_A    25.577     0    0.028   1.082    30.940    0.000    0.000
LGA    A    40_A      A    40_A    22.103     0    0.042   0.058    23.234    0.000    0.000
LGA    K    41_A      K    41_A    20.043     0    0.040   1.259    23.437    0.000    0.000
LGA    Y    42_A      Y    42_A    24.061     0    0.464   1.306    26.252    0.000    0.000
LGA    W    43_A      W    43_A    25.185     0    0.638   0.950    30.874    0.000    0.000
LGA    C    44_A      C    44_A    25.272     0    0.548   0.588    26.153    0.000    0.000
LGA    F    45_A      F    45_A    28.551     0    0.564   0.510    30.065    0.000    0.000
LGA    D    46_A      D    46_A    29.484     0    0.056   1.257    30.602    0.000    0.000
LGA    K    47_A      K    47_A    31.942     0    0.703   1.115    37.261    0.000    0.000
LGA    G    48_A      G    48_A    29.287     0    0.413   0.413    29.793    0.000    0.000
LGA    N    49_A      N    49_A    23.419     0    0.587   0.888    25.461    0.000    0.000
LGA    D    50_A      D    50_A    20.480     0    0.104   1.041    23.029    0.000    0.000
LGA    L    51_A      L    51_A    21.197     0    0.031   1.041    24.432    0.000    0.000
LGA    G    52_A      G    52_A    18.630     0    0.048   0.048    19.790    0.000    0.000
LGA    C    53_A      C    53_A    14.207     0    0.042   0.095    16.135    0.000    0.000
LGA    L    54_A      L    54_A    14.180     0    0.027   1.017    19.727    0.000    0.000
LGA    S    55_A      S    55_A    13.876     0    0.054   0.080    17.025    0.000    0.000
LGA    L    56_A      L    56_A    11.762     0    0.061   1.383    16.179    0.000    0.000
LGA    E    57_A      E    57_A    10.618     0    0.049   0.793    15.867    0.000    0.000
LGA    K    58_A      K    58_A    10.848     0    0.036   0.779    12.750    0.000    0.000
LGA    L    59_A      L    59_A    10.658     0    0.045   0.109    13.734    0.000    0.000
LGA    E    60_A      E    60_A    12.522     0    0.052   0.641    14.923    0.000    0.000
LGA    A    61_A      A    61_A    13.518     0    0.034   0.041    15.750    0.000    0.000
LGA    L    62_A      L    62_A    13.320     0    0.052   0.077    16.511    0.000    0.060
LGA    E    63_A      E    63_A    17.012     0    0.088   0.876    20.920    0.000    0.000
LGA    S    64_A      S    64_A    20.864     0    0.079   0.528    24.239    0.000    0.000
LGA    K    65_A      K    65_A    21.068     0    0.661   0.966    23.556    0.000    0.000
LGA    D    66_A      D    66_A    24.281     0    0.125   0.930    29.075    0.000    0.000
LGA    L    67_A      L    67_A    21.343     0    0.049   0.901    22.777    0.000    0.000
LGA    K    68_A      K    68_A    24.571     0    0.061   1.294    31.766    0.000    0.000
LGA    K    69_A      K    69_A    21.888     0    0.047   0.624    25.048    0.000    0.000
LGA    V    70_A      V    70_A    15.828     0    0.026   0.086    18.156    0.000    0.000
LGA    V    71_A      V    71_A    17.569     0    0.031   1.016    20.764    0.000    0.000
LGA    K    72_A      K    72_A    21.095     0    0.079   1.005    30.089    0.000    0.000
LGA    F    73_A      F    73_A    16.794     0    0.102   1.388    18.982    0.000    0.000
LGA    Y    74_A      Y    74_A    12.580     0    0.108   1.359    14.132    0.000    0.516
LGA    E    75_A      E    75_A    16.403     0    0.147   0.757    19.065    0.000    0.000
LGA    K    76_A      K    76_A    19.960     0    0.071   0.640    24.748    0.000    0.000
LGA    T    77_A      T    77_A    17.593     0    0.032   0.105    17.975    0.000    0.000
LGA    I    78_A      I    78_A    15.518     0    0.560   1.556    19.269    0.000    0.000
LGA    P    79_A      P    79_A    18.071     0    0.114   0.112    22.463    0.000    0.000
LGA    E    80_A      E    80_A    23.991     0    0.023   1.119    27.904    0.000    0.000
LGA    Y    81_A      Y    81_A    26.759     0    0.611   1.515    33.639    0.000    0.000
LGA    C    82_A      C    82_A    28.026     0    0.526   0.722    31.433    0.000    0.000
LGA    Y    83_A      Y    83_A    28.883     0    0.566   1.030    29.300    0.000    0.000
LGA    D    84_A      D    84_A    30.119     0    0.076   0.199    30.971    0.000    0.000
LGA    K    85_A      K    85_A    29.689     0    0.626   0.838    30.945    0.000    0.000
LGA    K    86_A      K    86_A    27.537     0    0.551   0.966    32.672    0.000    0.000
LGA    F    87_A      F    87_A    23.972     0    0.357   1.421    28.455    0.000    0.000
LGA    A    88_A      A    88_A    20.166     0    0.648   0.625    21.649    0.000    0.000
LGA    P    89_A      P    89_A    17.786     0    0.711   0.785    20.023    0.000    0.000
LGA    A    90_A      A    90_A    11.571     0    0.085   0.084    13.963    2.857    2.286
LGA    C    91_A      C    91_A     8.194     0    0.033   0.094     9.707    4.286    3.175
LGA    N    92_A      N    92_A    11.149     0    0.615   1.008    17.286    1.071    0.536
LGA    I    93_A      I    93_A     6.770     0    0.055   1.368     8.323   16.429   16.429
LGA    P    94_A      P    94_A     6.014     0    0.035   0.133     7.534   18.214   14.286
LGA    A    95_A      A    95_A     7.847     0    0.035   0.041     9.413   10.119    8.381
LGA    I    96_A      I    96_A     7.093     0    0.043   0.154     9.665   15.714    9.881
LGA    D    97_A      D    97_A     3.669     0    0.082   0.187     5.022   45.476   44.821
LGA    L    98_A      L    98_A     2.062     0    0.214   1.408     4.187   60.952   59.464
LGA    I    99_A      I    99_A     3.541     0    0.122   0.679     4.480   41.905   41.905
LGA    Q   100_A      Q   100_A     4.881     0    0.049   1.213     7.293   34.286   25.026
LGA    Q   101_A      Q   101_A     2.958     0    0.112   1.062     8.088   50.119   39.841
LGA    K   102_A      K   102_A     3.598     0    0.098   0.481     5.580   36.548   41.852
LGA    L   103_A      L   103_A     6.559     0    0.076   0.937     8.810   15.714   10.655
LGA    S   104_A      S   104_A     5.993     0    0.048   0.078     6.536   18.333   20.159
LGA    Y   105_A      Y   105_A     5.837     0    0.059   0.375     9.307   16.548   13.333
LGA    Y   106_A      Y   106_A     8.183     0    0.043   0.251     9.975    4.167    9.127
LGA    V   107_A      V   107_A    10.045     0    0.055   1.044    11.783    0.714    0.612
LGA    R   108_A      R   108_A     9.871     0    0.529   1.124    13.371    0.238    0.649
LGA    N   109_A      N   109_A    15.669     0    0.636   1.569    17.978    0.000    0.000
LGA    D   110_A      D   110_A    14.436     0    0.293   1.130    18.793    0.000    0.000
LGA    I   111_A      I   111_A    19.277     0    0.057   1.154    22.787    0.000    0.000
LGA    D   112_A      D   112_A    21.630     0    0.340   1.175    26.918    0.000    0.000
LGA    N   113_A      N   113_A    22.139     0    0.317   1.314    28.354    0.000    0.000
LGA    K   114_A      K   114_A    16.630     0    0.024   0.809    21.588    0.000    0.000
LGA    T   115_A      T   115_A    12.177     0    0.614   1.384    16.041    0.476    0.272
LGA    I   116_A      I   116_A     7.544     0    0.652   1.186    10.998    7.143    6.964
LGA    K   117_A      K   117_A     8.164     0    0.369   1.113    17.061    7.262    3.386
LGA    T   118_A      T   118_A     5.543     0    0.451   0.423     7.536   26.548   25.442
LGA    F   119_A      F   119_A     2.639     0    0.558   1.509    10.115   50.833   25.325
LGA    Y   120_A      Y   120_A     4.577     0    0.550   0.433    13.245   45.476   16.944
LGA    S   121_A      S   121_A     1.158     0    0.038   0.603     1.816   79.405   77.222
LGA    D   122_A      D   122_A     3.276     0    0.028   1.018     5.282   59.286   45.417
LGA    Y   123_A      Y   123_A     3.299     0    0.031   1.356    14.747   61.190   23.810
LGA    A   124_A      A   124_A     3.295     0    0.041   0.055     4.277   52.024   49.048
LGA    K   125_A      K   125_A     4.032     0    0.044   0.863     9.503   42.262   26.720
LGA    A   126_A      A   126_A     2.730     0    0.064   0.066     3.224   62.976   60.381
LGA    L   127_A      L   127_A     1.943     0    0.031   0.916     6.845   65.833   45.357
LGA    S   128_A      S   128_A     6.127     0    0.070   0.575     8.923   18.690   14.603
LGA    E   129_A      E   129_A     7.012     0    0.134   0.772     9.403   12.381    8.889
LGA    S   130_A      S   130_A     3.725     0    0.538   0.780     4.424   41.905   49.524
LGA    K   131_A      K   131_A     7.491     0    0.052   1.129    19.546   12.619    5.608
LGA    A   132_A      A   132_A     7.722     0    0.033   0.047     9.480   15.000   12.286
LGA    D   133_A      D   133_A     5.138     0    0.045   0.836     9.799   27.500   16.488
LGA    V   134_A      V   134_A     7.055     0    0.031   0.174    11.260   14.167    8.707
LGA    K   135_A      K   135_A     7.485     0    0.056   0.817    16.318   13.452    6.296
LGA    M   136_A      M   136_A     4.497     0    0.058   1.030    11.217   32.857   20.179
LGA    L   137_A      L   137_A     7.938     0    0.043   1.051    11.369    7.976    4.048
LGA    E   138_A      E   138_A    10.740     0    0.040   0.994    16.669    0.714    0.317
LGA    Y   139_A      Y   139_A     7.890     0    0.560   1.397    13.317   15.119    5.952
LGA    G   140_A      G   140_A     5.795     0    0.648   0.648     6.459   19.286   19.286
LGA    C   141_A      C   141_A     8.646     0    0.416   0.546    12.975   10.357    6.905
LGA    N   142_A      N   142_A     9.576     0    0.641   0.598    12.951    0.476    0.298
LGA    E   143_A      E   143_A    10.630     0    0.641   0.976    13.560    0.238    0.106
LGA    L   144_A      L   144_A    10.078     0    0.107   0.268    13.560    0.476    0.238
LGA    K   145_A      K   145_A    10.174     0    0.399   0.981    19.750    2.024    0.899
LGA    S   146_A      S   146_A     4.133     0    0.590   0.501     5.723   41.429   46.746
LGA    A   147_A      A   147_A     2.191     0    0.091   0.108     3.033   67.262   66.762
LGA    Y   148_A      Y   148_A     1.946     0    0.043   1.382     9.205   68.810   41.071
LGA    I   149_A      I   149_A     3.476     0    0.059   1.145     5.153   51.786   46.369
LGA    C   150_A      C   150_A     2.591     0    0.039   0.773     2.888   65.000   62.381
LGA    R   151_A      R   151_A     0.950     0    0.056   0.621     4.791   79.405   64.372
LGA    D   152_A      D   152_A     3.145     0    0.026   1.058     6.375   55.476   42.500
LGA    L   153_A      L   153_A     2.757     0    0.028   0.808     5.001   60.952   56.250
LGA    R   154_A      R   154_A     0.887     0    0.035   1.045     6.507   81.548   65.844
LGA    D   155_A      D   155_A     2.526     0    0.033   1.057     5.710   59.286   50.238
LGA    M   156_A      M   156_A     3.280     0    0.044   0.640     4.754   53.571   45.417
LGA    Y   157_A      Y   157_A     1.843     0    0.057   0.132     2.860   70.833   68.175
LGA    K   158_A      K   158_A     2.096     0    0.034   0.761     5.231   62.976   53.333
LGA    Y   159_A      Y   159_A     3.765     0    0.100   1.465     8.516   42.024   29.444
LGA    L   160_A      L   160_A     3.209     0    0.132   0.140     4.156   51.786   49.286
LGA    G   161_A      G   161_A     2.267     0    0.085   0.085     2.468   68.810   68.810
LGA    D   162_A      D   162_A     0.768     0    0.027   0.920     4.055   92.976   76.726
LGA    K   163_A      K   163_A     0.971     0    0.031   0.567     3.219   85.952   71.746
LGA    E   164_A      E   164_A     1.404     0    0.030   0.719     4.567   81.548   60.899
LGA    K   165_A      K   165_A     1.455     0    0.059   0.873     6.333   81.429   61.323
LGA    T   166_A      T   166_A     1.019     0    0.027   1.094     2.630   83.690   78.163
LGA    K   167_A      K   167_A     1.641     0    0.028   1.128     4.553   75.000   65.026
LGA    E   168_A      E   168_A     1.954     0    0.040   0.302     2.303   72.857   70.159
LGA    Y   169_A      Y   169_A     1.778     0    0.076   0.492     4.808   72.857   61.111
LGA    N   170_A      N   170_A     1.687     0    0.033   1.141     3.092   72.857   68.988
LGA    D   171_A      D   171_A     2.179     0    0.045   0.368     3.067   64.762   60.060
LGA    K   172_A      K   172_A     2.280     0    0.067   0.675     4.750   64.762   56.190
LGA    M   173_A      M   173_A     2.048     0    0.071   0.753     2.100   66.786   75.417
LGA    K   174_A      K   174_A     2.073     0    0.165   0.958     3.515   62.857   61.534
LGA    N   175_A      N   175_A     2.018     0    0.387   1.160     6.049   73.095   59.345
LGA    G   176_A      G   176_A     1.618     0    0.577   0.577     2.705   64.881   64.881
LGA    D   177_A      D   177_A     6.103     0    0.594   1.252    12.001   26.667   13.690
LGA    E   178_A      E   178_A     6.784     0    0.043   1.296    11.979   11.905    5.979
LGA    K   179_A      K   179_A     7.646     0    0.625   0.926    11.072    7.262    6.508
LGA    W   180_A      W   180_A     9.981     0    0.170   0.310    19.231    1.667    0.476
LGA    N   181_A      N   181_A     8.009     0    0.397   1.093    11.858    9.762    6.250
LGA    S   182_A      S   182_A     8.454     0    0.588   0.557     8.571    4.286    4.444
LGA    V   183_A      V   183_A     9.345     0    0.409   0.425    12.199    0.833    0.476
LGA    L   184_A      L   184_A    10.578     0    0.667   1.245    14.197    0.357    0.179
LGA    Y   185_A      Y   185_A    10.548     0    0.380   1.360    18.322    0.119    0.040
LGA    D   186_A      D   186_A    14.220     0    0.132   1.040    15.829    0.000    0.000
LGA    Y   187_A      Y   187_A    19.672     0    0.149   1.282    21.909    0.000    0.000
LGA    K   188_A      K   188_A    20.540     0    0.133   0.729    24.434    0.000    0.000
LGA    H   189_A      H   189_A    15.518     0    0.142   1.154    17.276    0.000    0.333
LGA    M   190_A      M   190_A    15.095     0    0.668   0.955    16.450    0.000    0.000
LGA    R   191_A      R   191_A    15.954     0    0.404   1.483    20.797    0.000    0.000
LGA    Y   192_A      Y   192_A    14.458     0    0.588   1.448    17.991    0.000    0.000
LGA    I   193_A      I   193_A    20.696     0    0.057   0.623    24.454    0.000    0.000
LGA    H   194_A      H   194_A    24.949     0    0.300   1.319    30.964    0.000    0.000
LGA    G   195_A      G   195_A    22.431     0    0.173   0.173    22.842    0.000    0.000
LGA    G   196_A      G   196_A    22.518     0    0.701   0.701    26.459    0.000    0.000
LGA    Y   197_A      Y   197_A    25.040     0    0.520   1.026    26.095    0.000    0.000
LGA    S   198_A      S   198_A    27.444     0    0.035   0.705    28.869    0.000    0.000
LGA    S   199_A      S   199_A    30.281     0    0.128   0.192    32.492    0.000    0.000
LGA    W   200_A      W   200_A    32.457     0    0.121   1.237    40.127    0.000    0.000
LGA    W   201_A      W   201_A    31.540     0    0.035   1.649    33.625    0.000    0.000
LGA    L   202_A      L   202_A    32.706     0    0.073   0.115    36.126    0.000    0.000
LGA    L   203_A      L   203_A    37.105     0    0.102   0.692    40.786    0.000    0.000
LGA    E   204_A      E   204_A    38.963     0    0.084   1.339    41.148    0.000    0.000
LGA    K   205_A      K   205_A    39.730     0    0.235   1.012    43.386    0.000    0.000
LGA    I   206_A      I   206_A    43.112     0    0.563   0.725    45.995    0.000    0.000
LGA    K   207_A      K   207_A    47.759     0    0.474   1.332    51.625    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):    19.441         19.402                 20.029           16.231   13.705

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  207  207    4.0     45    2.58    21.860    17.927     1.679

LGA_LOCAL      RMSD:   2.581  Number of atoms:   45  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  20.723  Number of assigned atoms:  207 
Std_ASGN_ATOMS RMSD:  19.441  Standard rmsd on all 207 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.839139 * X  +   0.277306 * Y  +   0.467918 * Z  + -10.450707
  Y_new =   0.210789 * X  +  -0.627250 * Y  +   0.749750 * Z  + -31.068350
  Z_new =   0.501412 * X  +   0.727777 * Y  +   0.467897 * Z  + -14.138707 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.895488 -0.525229  0.999419   [DEG:  165.8992  -30.0934   57.2625 ]
ZXZ:  2.583642  1.083887  0.603280   [DEG:  148.0318   62.1021   34.5654 ]
 
# END of job
