
#######################################################
#                                                     #
#                        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:    55      49_A - 103_A       4.96    19.03
  LONGEST_CONTINUOUS_SEGMENT:    55      50_A - 104_A       4.86    19.01
  LONGEST_CONTINUOUS_SEGMENT:    55      51_A - 105_A       4.82    19.00
  LONGEST_CONTINUOUS_SEGMENT:    55      86_A - 140_A       4.99    19.07
  LONGEST_CONTINUOUS_SEGMENT:    55      87_A - 141_A       4.99    19.09
  LCS_AVERAGE:     21.50

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    32     146_A - 177_A       1.96    27.53
  LCS_AVERAGE:      8.81

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    27     146_A - 172_A       1.00    27.88
  LONGEST_CONTINUOUS_SEGMENT:    27     148_A - 174_A       0.97    27.59
  LONGEST_CONTINUOUS_SEGMENT:    27     149_A - 175_A       0.97    27.27
  LCS_AVERAGE:      5.88

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    5   12      3    3    3    4    4    6    6   10   10   10   13   16   18   20   21   25   26   27   29   31 
LCS_GDT     I     2_A     I     2_A      5    9   12      3    4    5    8    8    9    9   10   10   10   12   16   18   20   21   25   26   27   29   30 
LCS_GDT     D     3_A     D     3_A      5    9   13      4    4    7    8    8    9    9   10   10   10   10   16   18   20   21   25   26   30   32   35 
LCS_GDT     P     4_A     P     4_A      6    9   13      4    4    7    8    8    9    9   10   10   10   13   18   20   21   22   25   26   27   34   41 
LCS_GDT     F     5_A     F     5_A      6    9   13      5    5    7    8    8    9   11   12   13   16   16   19   24   28   32   36   42   45   48   51 
LCS_GDT     T     6_A     T     6_A      6    9   13      5    5    7    8    8    9    9   12   13   15   16   19   27   29   32   46   51   52   55   57 
LCS_GDT     W     7_A     W     7_A      6    9   13      5    5    7    8    8    9   12   14   15   16   16   19   20   21   37   46   51   52   55   57 
LCS_GDT     G     8_A     G     8_A      6    9   13      5    5    7    8    8   10   14   15   20   25   31   33   34   47   57   60   67   72   75   81 
LCS_GDT     F     9_A     F     9_A      6    9   13      5    5    7    8    8   10   14   15   20   25   31   33   34   47   49   51   67   72   75   79 
LCS_GDT     G    10_A     G    10_A      5    9   13      5    5    5    6    7    9    9   11   23   30   34   37   43   47   57   60   70   74   79   86 
LCS_GDT     G    11_A     G    11_A      5    6   13      5    5    5    5    6    6   10   14   20   25   31   37   43   51   58   63   73   77   85   93 
LCS_GDT     S    12_A     S    12_A      5    6   13      5    5    5    5    6    7   13   18   19   28   41   43   47   55   64   71   75   82   88   93 
LCS_GDT     S    13_A     S    13_A      5    6   24      5    5    5    5    8   12   18   21   24   28   41   43   49   55   64   71   76   82   88   93 
LCS_GDT     K    14_A     K    14_A      3    7   24      1    3    5    6    7   10   16   21   23   27   41   43   47   51   54   65   73   82   88   93 
LCS_GDT     E    15_A     E    15_A      3    7   24      3    3    5    6    8   10   18   21   24   28   41   43   47   51   54   59   69   78   85   93 
LCS_GDT     K    16_A     K    16_A      3   16   24      3    3    4    7   13   15   16   18   24   28   41   43   47   55   63   68   78   86   88   97 
LCS_GDT     P    17_A     P    17_A      3   16   24      3    3    5    6    9   15   18   21   24   27   34   35   39   42   53   59   62   65   79   87 
LCS_GDT     N    18_A     N    18_A     14   16   24      4   10   13   15   16   17   18   20   24   27   34   35   39   46   53   59   66   78   85   93 
LCS_GDT     Y    19_A     Y    19_A     14   16   24      8   12   13   15   16   17   18   20   23   27   28   34   36   41   44   47   60   72   82   93 
LCS_GDT     D    20_A     D    20_A     14   16   24      6   12   13   15   16   17   18   18   18   20   21   26   28   32   35   38   43   48   52   76 
LCS_GDT     Y    21_A     Y    21_A     14   16   24      5   12   13   15   16   17   18   18   18   29   32   37   43   49   59   67   72   77   85   91 
LCS_GDT     S    22_A     S    22_A     14   16   24      8   12   13   15   16   17   18   18   18   19   21   22   33   37   40   41   48   52   58   68 
LCS_GDT     A    23_A     A    23_A     14   16   24      8   12   13   15   16   17   18   18   18   19   21   24   29   37   42   47   56   63   69   77 
LCS_GDT     D    24_A     D    24_A     14   16   24      8   12   13   15   16   17   20   23   28   32   38   38   54   57   64   73   76   86   88   93 
LCS_GDT     K    25_A     K    25_A     14   16   24      8   12   13   15   16   17   18   18   18   38   44   46   49   53   57   60   63   71   73   82 
LCS_GDT     K    26_A     K    26_A     14   16   24      8   12   13   15   16   17   18   18   18   21   25   26   33   49   53   57   60   62   70   74 
LCS_GDT     L    27_A     L    27_A     14   16   24      8   12   13   15   16   17   18   18   18   21   40   46   51   54   57   65   68   74   84   88 
LCS_GDT     I    28_A     I    28_A     14   16   24      8   12   13   15   16   17   18   18   19   38   44   46   51   54   57   65   68   74   84   87 
LCS_GDT     E    29_A     E    29_A     14   16   24      8   12   13   15   16   17   18   18   19   21   44   45   47   49   53   57   60   62   67   74 
LCS_GDT     I    30_A     I    30_A     14   16   24      7   12   13   15   16   17   18   18   19   21   44   45   47   50   53   57   60   64   70   74 
LCS_GDT     N    31_A     N    31_A     14   16   24      3    8   13   14   15   17   18   18   19   21   44   46   47   50   56   60   68   71   72   82 
LCS_GDT     T    32_A     T    32_A      4   15   24      3    4    4    7    8   14   15   15   17   19   20   21   23   27   30   35   38   38   42   46 
LCS_GDT     R    33_A     R    33_A      5    8   24      3    5    6    7    9    9   11   13   17   21   22   22   24   30   32   35   41   49   58   60 
LCS_GDT     P    34_A     P    34_A      5    8   24      4    5    6    7    9    9   13   15   17   21   22   22   28   30   34   40   45   53   64   78 
LCS_GDT     I    35_A     I    35_A      5    8   24      4    5    6    8    9   11   15   34   36   40   44   46   51   58   61   67   72   81   85   89 
LCS_GDT     S    36_A     S    36_A      5    8   24      4    5    6    8   10   12   25   34   37   40   44   52   55   62   68   73   78   86   88   90 
LCS_GDT     T    37_A     T    37_A      7    8   24      4    7    8   10   15   21   27   34   38   43   47   52   55   62   68   73   78   86   88   92 
LCS_GDT     D    38_A     D    38_A      7    8   22      4    7    8   12   19   23   28   32   39   43   47   53   59   65   71   75   80   86   89   97 
LCS_GDT     N    39_A     N    39_A      7    8   22      5    7    8   17   20   25   29   34   39   43   50   56   60   67   71   75   80   86   89   97 
LCS_GDT     A    40_A     A    40_A      7    8   22      5    7    8   12   22   25   28   32   39   43   49   53   60   66   71   75   80   86   89   97 
LCS_GDT     K    41_A     K    41_A      7    8   53      5    7    8    8   10   14   18   21   29   36   42   49   58   62   66   73   77   81   88   93 
LCS_GDT     Y    42_A     Y    42_A      7    8   54      5    7    8   17   22   28   34   37   45   48   53   57   61   67   70   75   79   83   89   97 
LCS_GDT     W    43_A     W    43_A      7    8   54      5    7    8   17   22   30   36   43   45   51   53   58   62   67   70   75   79   83   89   97 
LCS_GDT     C    44_A     C    44_A      4    8   54      4    4    6   14   22   29   34   39   45   50   53   57   62   67   70   75   78   83   88   96 
LCS_GDT     F    45_A     F    45_A      4    9   54      4    4    5    7   10   11   14   17   24   29   41   43   48   51   56   64   69   73   79   90 
LCS_GDT     D    46_A     D    46_A      4    9   54      4    4    6    8   10   12   18   21   24   28   41   43   47   51   54   59   64   73   79   83 
LCS_GDT     K    47_A     K    47_A      4    9   54      3    4    5    7   10   11   18   21   24   28   34   36   47   51   54   58   63   70   76   83 
LCS_GDT     G    48_A     G    48_A      4    9   54      3    4    5    6   10   11   18   21   23   28   41   43   47   51   54   59   64   73   79   87 
LCS_GDT     N    49_A     N    49_A      4    9   55      3    4    5    7   13   21   26   31   35   41   49   54   60   66   70   75   78   82   89   97 
LCS_GDT     D    50_A     D    50_A      4    9   55      3    4    8    8   10   18   25   28   34   41   48   56   60   64   70   75   78   82   89   96 
LCS_GDT     L    51_A     L    51_A      4    9   55      3    4   12   23   27   30   38   44   48   51   57   62   64   67   70   75   80   86   89   97 
LCS_GDT     G    52_A     G    52_A      4    9   55      3   10   17   24   28   30   32   33   33   34   45   53   58   64   70   75   78   83   89   96 
LCS_GDT     C    53_A     C    53_A      4    9   55      3    4    6   15   22   30   37   43   48   51   56   60   63   67   70   75   79   83   89   96 
LCS_GDT     L    54_A     L    54_A      3   31   55      0    4    5   13   20   32   41   45   50   53   57   62   64   67   70   75   79   83   89   97 
LCS_GDT     S    55_A     S    55_A     22   31   55      7   15   21   25   30   35   41   45   50   53   57   62   64   66   69   74   79   83   89   97 
LCS_GDT     L    56_A     L    56_A     22   31   55      9   15   21   25   30   35   41   45   50   53   57   62   64   66   69   74   79   83   88   96 
LCS_GDT     E    57_A     E    57_A     22   31   55      9   15   21   23   30   34   41   45   50   53   57   62   64   66   69   74   79   83   88   96 
LCS_GDT     K    58_A     K    58_A     22   31   55      9   14   21   25   30   35   41   45   50   53   57   62   64   67   70   75   79   83   89   97 
LCS_GDT     L    59_A     L    59_A     22   31   55      9   15   21   25   30   35   41   45   50   53   57   62   64   67   70   75   79   83   89   96 
LCS_GDT     E    60_A     E    60_A     22   31   55      9   15   21   25   30   35   41   45   50   53   57   62   64   67   70   75   79   83   88   94 
LCS_GDT     A    61_A     A    61_A     22   31   55      9   15   21   25   30   35   41   45   50   53   57   62   64   67   70   75   79   83   88   94 
LCS_GDT     L    62_A     L    62_A     22   31   55      9   15   21   25   30   35   41   45   50   53   57   62   64   67   70   75   79   83   88   96 
LCS_GDT     E    63_A     E    63_A     22   31   55      9   15   21   25   30   35   41   45   50   53   57   62   64   67   70   75   79   83   88   93 
LCS_GDT     S    64_A     S    64_A     22   31   55      9   15   21   24   30   35   41   45   50   53   57   62   64   67   70   75   79   83   88   93 
LCS_GDT     K    65_A     K    65_A     22   31   55      7   15   21   25   30   35   41   45   50   53   57   62   64   67   70   75   79   83   88   93 
LCS_GDT     D    66_A     D    66_A     22   31   55      5   15   21   25   30   35   41   45   50   53   57   62   64   67   70   75   78   83   88   93 
LCS_GDT     L    67_A     L    67_A     22   31   55      8   14   21   25   30   35   41   45   50   53   57   62   64   67   70   75   79   83   88   93 
LCS_GDT     K    68_A     K    68_A     22   31   55      8   15   21   25   30   35   41   45   50   53   57   62   64   67   70   75   78   83   88   92 
LCS_GDT     K    69_A     K    69_A     22   31   55      8   15   21   25   30   35   41   45   50   53   57   62   64   67   70   75   79   83   88   94 
LCS_GDT     V    70_A     V    70_A     22   31   55      8   15   21   25   30   35   41   45   50   53   57   62   64   67   70   75   79   83   89   96 
LCS_GDT     V    71_A     V    71_A     22   31   55      8   15   21   25   30   35   41   45   50   53   57   62   64   67   70   75   79   83   89   96 
LCS_GDT     K    72_A     K    72_A     22   31   55      8   14   21   25   30   35   41   45   50   53   57   62   64   67   70   75   79   83   89   96 
LCS_GDT     F    73_A     F    73_A     22   31   55      8   15   21   25   30   35   41   45   50   53   57   62   64   67   70   75   79   83   89   97 
LCS_GDT     Y    74_A     Y    74_A     22   31   55      8   15   21   25   30   35   41   45   50   53   57   62   64   67   71   75   80   86   89   97 
LCS_GDT     E    75_A     E    75_A     22   31   55      7   15   21   25   30   35   41   45   50   53   57   62   64   67   70   75   80   86   89   97 
LCS_GDT     K    76_A     K    76_A     22   31   55      7   12   20   25   30   35   41   45   50   53   57   62   64   67   70   75   80   86   89   97 
LCS_GDT     T    77_A     T    77_A     14   31   55      7   12   20   25   30   35   41   45   50   53   57   62   64   67   70   75   80   86   89   97 
LCS_GDT     I    78_A     I    78_A     14   31   55      7   12   20   25   30   35   41   45   50   53   57   62   64   67   71   75   80   86   89   97 
LCS_GDT     P    79_A     P    79_A     14   31   55      5   12   20   25   30   35   41   45   50   53   57   62   64   67   71   75   80   86   89   97 
LCS_GDT     E    80_A     E    80_A     14   31   55      6   12   20   25   30   35   41   45   50   53   57   62   64   67   71   75   80   86   89   97 
LCS_GDT     Y    81_A     Y    81_A     14   31   55      7   12   20   25   30   35   41   45   50   53   57   62   64   67   71   75   80   86   89   97 
LCS_GDT     C    82_A     C    82_A     14   31   55      7   14   20   25   30   35   41   45   50   53   57   62   64   67   71   75   80   86   89   97 
LCS_GDT     Y    83_A     Y    83_A     14   31   55      7   15   20   25   30   35   41   45   50   53   57   62   64   67   71   75   80   86   89   97 
LCS_GDT     D    84_A     D    84_A     12   31   55      5    7   13   21   27   35   39   45   50   53   57   62   64   67   71   75   80   86   89   97 
LCS_GDT     K    85_A     K    85_A      5   31   55      3    4   14   19   26   33   38   45   50   53   57   62   64   67   71   75   80   86   89   97 
LCS_GDT     K    86_A     K    86_A      5   29   55      4    4    6   15   26   30   38   44   50   53   57   62   64   67   71   75   80   86   89   97 
LCS_GDT     F    87_A     F    87_A      5   27   55      4    4   12   17   22   28   33   42   46   53   57   62   64   67   71   75   80   86   89   97 
LCS_GDT     A    88_A     A    88_A      4   27   55      4    8   17   24   30   35   41   45   50   53   57   62   64   67   71   75   80   86   89   97 
LCS_GDT     P    89_A     P    89_A      4    5   55      3    4    4    4    7    9   12   14   20   31   41   48   58   67   71   75   80   86   89   97 
LCS_GDT     A    90_A     A    90_A      4    5   55      3    4    5    5   10   22   28   35   40   46   51   57   62   67   71   75   80   86   89   97 
LCS_GDT     C    91_A     C    91_A      4    5   55      3   12   18   24   30   35   41   45   50   53   57   62   64   67   71   75   80   86   89   97 
LCS_GDT     N    92_A     N    92_A      3    4   55      5    9   17   24   30   35   41   45   50   53   57   62   64   67   71   75   80   86   89   97 
LCS_GDT     I    93_A     I    93_A      3    4   55      3    4    9   17   25   31   38   44   48   52   57   62   64   67   71   75   80   86   89   97 
LCS_GDT     P    94_A     P    94_A      3   14   55      3    3   18   24   30   35   41   45   50   53   57   62   64   67   71   75   80   86   89   97 
LCS_GDT     A    95_A     A    95_A      5   14   55      4    4   11   22   30   35   41   45   50   53   57   62   64   67   71   75   80   86   89   97 
LCS_GDT     I    96_A     I    96_A      5   14   55      4    4    5   11   18   30   38   44   48   52   57   62   64   67   71   75   80   86   89   97 
LCS_GDT     D    97_A     D    97_A      5   14   55      4    4    6   11   16   20   27   31   39   52   57   62   64   67   70   75   79   83   89   97 
LCS_GDT     L    98_A     L    98_A     10   14   55      4    8   10   16   30   32   36   42   45   53   57   62   64   66   69   75   80   86   89   97 
LCS_GDT     I    99_A     I    99_A     10   14   55      7    9   10   14   20   23   34   41   46   52   57   62   64   66   71   75   80   86   89   97 
LCS_GDT     Q   100_A     Q   100_A     10   14   55      7    9   10   14   18   23   30   36   44   48   55   62   64   66   71   75   80   86   89   97 
LCS_GDT     Q   101_A     Q   101_A     10   14   55      7    9   12   18   25   32   36   43   50   53   57   62   64   66   71   75   80   86   89   97 
LCS_GDT     K   102_A     K   102_A     10   14   55      7    9   10   12   17   22   28   34   39   47   50   55   60   65   71   75   80   86   89   97 
LCS_GDT     L   103_A     L   103_A     10   14   55      7    9   10   12   17   22   28   34   42   47   51   55   60   65   71   75   80   86   89   97 
LCS_GDT     S   104_A     S   104_A     10   14   55      7    9   10   12   17   22   29   34   42   47   51   55   60   65   71   75   80   86   89   97 
LCS_GDT     Y   105_A     Y   105_A     10   14   55      7    9   10   12   17   22   27   34   41   47   51   55   60   65   71   75   80   86   89   97 
LCS_GDT     Y   106_A     Y   106_A     10   14   55      7    9   10   12   17   22   27   34   38   43   50   55   59   65   71   75   80   86   89   97 
LCS_GDT     V   107_A     V   107_A     10   14   55      7    9   10   12   17   22   28   36   42   46   51   55   59   65   71   75   80   86   89   97 
LCS_GDT     R   108_A     R   108_A      3   14   55      3    4    8   11   18   23   29   36   42   46   51   55   60   65   70   75   80   86   89   97 
LCS_GDT     N   109_A     N   109_A      4    7   55      3    3    6   10   16   21   28   34   41   47   51   55   60   65   71   75   80   86   89   97 
LCS_GDT     D   110_A     D   110_A      4    7   55      3    3    4    4    7   18   26   32   41   47   51   55   60   65   71   75   80   86   89   97 
LCS_GDT     I   111_A     I   111_A      4    7   55      3    3    4    6    7   10   26   34   40   47   51   54   60   65   71   75   80   86   89   97 
LCS_GDT     D   112_A     D   112_A      4    7   55      3    3    4    6    7   20   26   32   41   47   50   53   60   65   71   75   80   86   89   97 
LCS_GDT     N   113_A     N   113_A      3    7   55      3    4    5   10   16   21   28   34   41   47   51   55   60   65   71   75   80   86   89   97 
LCS_GDT     K   114_A     K   114_A      3    8   55      3    4    4    5    7   18   25   33   39   46   51   55   60   65   71   75   80   86   89   97 
LCS_GDT     T   115_A     T   115_A      9   19   55      4    7   12   19   26   27   33   36   42   46   50   55   59   65   71   75   80   86   89   97 
LCS_GDT     I   116_A     I   116_A      9   19   55      4    9   17   20   26   28   33   36   42   46   50   55   59   65   70   75   80   86   89   97 
LCS_GDT     K   117_A     K   117_A     14   19   55      4    5    6   15   26   28   33   36   42   46   50   55   59   65   71   75   80   86   89   97 
LCS_GDT     T   118_A     T   118_A     14   19   55     12   15   17   20   26   28   33   36   42   46   50   55   59   65   71   75   80   86   89   97 
LCS_GDT     F   119_A     F   119_A     14   19   55     12   15   17   20   26   28   33   36   41   46   50   55   59   65   70   75   80   86   89   97 
LCS_GDT     Y   120_A     Y   120_A     14   19   55     12   15   17   20   26   28   33   36   42   46   50   55   59   65   71   75   80   86   89   97 
LCS_GDT     S   121_A     S   121_A     14   19   55     11   15   17   20   26   28   33   36   42   46   50   55   59   65   71   75   80   86   89   97 
LCS_GDT     D   122_A     D   122_A     14   19   55     12   15   17   20   26   28   33   36   42   46   50   55   59   65   71   75   80   86   89   97 
LCS_GDT     Y   123_A     Y   123_A     14   19   55     12   15   17   20   26   28   33   36   42   46   50   55   59   65   71   75   80   86   89   97 
LCS_GDT     A   124_A     A   124_A     14   19   55     12   15   17   20   26   28   33   36   42   46   50   55   59   65   71   75   80   86   89   97 
LCS_GDT     K   125_A     K   125_A     14   19   55     12   15   17   20   26   28   33   36   42   46   51   55   59   65   71   75   80   86   89   97 
LCS_GDT     A   126_A     A   126_A     14   19   55     12   15   17   20   26   28   33   36   42   46   50   55   59   65   71   75   80   86   89   97 
LCS_GDT     L   127_A     L   127_A     14   19   55     11   15   17   20   26   28   33   36   42   46   51   55   59   65   71   75   80   86   89   97 
LCS_GDT     S   128_A     S   128_A     14   19   55     12   15   17   20   26   28   33   36   42   46   51   55   59   65   71   75   80   86   89   97 
LCS_GDT     E   129_A     E   129_A     14   19   55     12   15   17   20   26   28   33   36   42   46   51   55   59   65   71   75   80   86   89   97 
LCS_GDT     S   130_A     S   130_A     14   19   55     12   15   17   20   26   28   33   36   42   46   51   55   60   66   71   75   80   86   89   97 
LCS_GDT     K   131_A     K   131_A     14   19   55      5   13   17   20   26   28   33   36   42   50   53   58   62   67   71   75   80   86   89   97 
LCS_GDT     A   132_A     A   132_A      8   19   55      4    7   12   17   22   25   30   43   49   53   57   62   64   67   71   75   80   86   89   97 
LCS_GDT     D   133_A     D   133_A      8   19   55      4    7   10   17   29   35   41   45   50   53   57   62   64   67   71   75   80   86   89   97 
LCS_GDT     V   134_A     V   134_A      8   19   55      5    7   12   17   23   30   38   44   48   52   57   62   64   67   71   75   80   86   89   97 
LCS_GDT     K   135_A     K   135_A      8   19   55     12   15   17   20   26   28   39   43   47   52   57   62   64   67   71   75   80   86   89   97 
LCS_GDT     M   136_A     M   136_A      8   19   55      4   13   15   23   30   35   41   45   50   53   57   62   64   67   71   75   80   86   89   97 
LCS_GDT     L   137_A     L   137_A      8   11   55      4    7   13   18   30   35   41   45   50   53   57   62   64   67   71   75   80   86   89   97 
LCS_GDT     E   138_A     E   138_A      8   11   55      3    7   13   19   30   35   41   45   50   53   57   62   64   67   71   75   80   86   89   97 
LCS_GDT     Y   139_A     Y   139_A      5   11   55      3    4    5   17   27   34   39   45   50   53   57   62   64   67   71   75   80   86   89   97 
LCS_GDT     G   140_A     G   140_A      5   10   55      6   10   18   24   30   35   41   45   50   53   57   62   64   67   71   75   80   86   89   97 
LCS_GDT     C   141_A     C   141_A      5    9   55      3    5    6   20   26   29   41   45   50   53   57   62   64   66   70   75   80   86   89   97 
LCS_GDT     N   142_A     N   142_A      5    9   53      4    7   10   16   20   28   36   44   50   53   57   62   64   66   69   74   79   83   89   97 
LCS_GDT     E   143_A     E   143_A      5    9   50      4    5    8   13   19   25   31   38   47   52   57   62   64   66   69   74   79   83   88   97 
LCS_GDT     L   144_A     L   144_A      5    9   50      4    5   17   20   26   26   33   38   46   52   57   62   64   66   69   74   79   83   89   97 
LCS_GDT     K   145_A     K   145_A      5   31   50      4    5   11   20   26   28   33   36   46   50   57   62   64   65   69   73   79   83   89   97 
LCS_GDT     S   146_A     S   146_A     27   32   50      7   20   25   27   29   30   38   45   50   53   57   62   64   67   69   75   79   83   89   97 
LCS_GDT     A   147_A     A   147_A     27   32   50      7   16   22   26   30   35   40   44   50   53   57   62   64   66   68   74   79   83   88   93 
LCS_GDT     Y   148_A     Y   148_A     27   32   50      8   19   24   27   30   35   40   44   50   53   57   62   64   66   68   74   79   83   88   93 
LCS_GDT     I   149_A     I   149_A     27   32   47     13   20   25   27   29   30   32   33   33   34   45   51   58   60   65   70   73   76   78   83 
LCS_GDT     C   150_A     C   150_A     27   32   47     11   20   25   27   29   30   32   33   33   34   45   51   54   58   64   70   73   76   78   83 
LCS_GDT     R   151_A     R   151_A     27   32   47      8   20   25   27   29   30   32   33   33   36   44   50   54   58   63   68   72   76   78   83 
LCS_GDT     D   152_A     D   152_A     27   32   47     13   20   25   27   29   30   32   33   33   34   36   39   44   50   53   58   67   73   76   79 
LCS_GDT     L   153_A     L   153_A     27   32   47     11   20   25   27   29   30   32   33   33   34   36   39   44   49   53   57   65   69   75   78 
LCS_GDT     R   154_A     R   154_A     27   32   47     13   20   25   27   29   30   32   33   33   34   36   39   44   49   53   57   65   69   75   78 
LCS_GDT     D   155_A     D   155_A     27   32   47     13   20   25   27   29   30   32   33   33   34   36   39   44   49   53   57   65   69   75   78 
LCS_GDT     M   156_A     M   156_A     27   32   47     13   20   25   27   29   30   32   33   33   34   36   39   44   49   53   57   65   69   75   76 
LCS_GDT     Y   157_A     Y   157_A     27   32   47     13   20   25   27   29   30   32   33   33   34   36   39   44   49   53   57   65   69   75   76 
LCS_GDT     K   158_A     K   158_A     27   32   47     13   20   25   27   29   30   32   33   33   34   36   39   44   49   53   57   65   69   75   76 
LCS_GDT     Y   159_A     Y   159_A     27   32   47     11   20   25   27   29   30   32   33   33   34   36   39   44   49   53   57   65   69   75   76 
LCS_GDT     L   160_A     L   160_A     27   32   47     13   20   25   27   29   30   32   33   33   34   36   39   44   49   53   56   63   69   75   76 
LCS_GDT     G   161_A     G   161_A     27   32   47     13   20   25   27   29   30   32   33   33   34   36   39   44   49   53   56   63   69   75   76 
LCS_GDT     D   162_A     D   162_A     27   32   47     13   20   25   27   29   30   32   33   33   34   36   39   44   49   53   56   63   69   75   76 
LCS_GDT     K   163_A     K   163_A     27   32   47     13   20   25   27   29   30   32   33   33   34   36   39   44   49   53   56   65   69   75   76 
LCS_GDT     E   164_A     E   164_A     27   32   47     13   20   25   27   29   30   32   33   33   34   36   38   44   49   53   56   63   69   75   76 
LCS_GDT     K   165_A     K   165_A     27   32   47     13   20   25   27   29   30   32   33   33   34   36   39   44   49   53   56   65   69   75   76 
LCS_GDT     T   166_A     T   166_A     27   32   47     13   20   25   27   29   30   32   33   33   34   36   39   44   49   53   57   65   69   75   76 
LCS_GDT     K   167_A     K   167_A     27   32   47     13   20   25   27   29   30   32   33   33   34   36   39   44   49   53   57   65   69   75   76 
LCS_GDT     E   168_A     E   168_A     27   32   47     13   20   25   27   29   30   32   33   33   34   36   39   44   49   53   57   65   69   75   78 
LCS_GDT     Y   169_A     Y   169_A     27   32   47     13   20   25   27   29   30   32   33   33   34   36   39   44   49   53   58   65   71   76   79 
LCS_GDT     N   170_A     N   170_A     27   32   47     13   20   25   27   29   30   32   33   33   34   36   39   49   51   55   62   67   72   76   79 
LCS_GDT     D   171_A     D   171_A     27   32   47     13   20   25   27   29   30   32   33   33   34   36   40   49   56   58   64   70   73   77   79 
LCS_GDT     K   172_A     K   172_A     27   32   47     13   20   24   27   29   30   32   33   33   40   45   51   54   58   64   70   72   76   78   83 
LCS_GDT     M   173_A     M   173_A     27   32   47     13   19   24   27   29   30   32   36   38   44   50   53   58   62   66   70   73   76   78   83 
LCS_GDT     K   174_A     K   174_A     27   32   47     13   20   25   27   29   31   32   36   38   44   50   52   56   62   65   70   72   75   78   83 
LCS_GDT     N   175_A     N   175_A     27   32   47      4   14   24   27   28   30   32   33   42   46   52   58   61   64   68   70   74   81   86   93 
LCS_GDT     G   176_A     G   176_A     25   32   47      4   17   24   25   28   30   32   33   33   39   57   60   63   67   69   75   79   83   88   93 
LCS_GDT     D   177_A     D   177_A      3   32   47      3    5    7   10   13   22   26   28   32   33   36   38   50   67   69   75   79   83   88   93 
LCS_GDT     E   178_A     E   178_A      4   11   47      3    5    7   10   13   18   27   30   39   42   46   50   60   66   70   75   78   86   88   97 
LCS_GDT     K   179_A     K   179_A      4   11   47      3    4    6   10   13   16   23   27   32   33   38   49   56   64   71   75   80   86   89   97 
LCS_GDT     W   180_A     W   180_A      4   11   47      3    5    7   10   13   16   23   27   32   33   36   38   41   56   64   71   75   82   88   97 
LCS_GDT     N   181_A     N   181_A      4   11   47      3    4   10   17   22   25   30   35   39   46   50   57   61   67   71   75   80   86   89   97 
LCS_GDT     S   182_A     S   182_A      5   11   47      5    5    7   10   13   18   27   32   39   41   46   50   58   66   71   75   80   86   88   97 
LCS_GDT     V   183_A     V   183_A      5   11   47      5    5    5    7   12   20   28   31   39   41   46   50   58   64   70   75   77   86   88   93 
LCS_GDT     L   184_A     L   184_A      5    6   47      5    5    5    7   12   20   28   32   39   41   46   50   58   65   71   75   80   86   88   97 
LCS_GDT     Y   185_A     Y   185_A      5    6   47      5    5    8   12   19   23   27   32   39   42   46   54   60   66   71   75   80   86   89   97 
LCS_GDT     D   186_A     D   186_A      5    6   47      5    5    5    6   12   20   27   31   39   44   46   54   60   67   70   75   79   86   88   97 
LCS_GDT     Y   187_A     Y   187_A      4    6   47      4    4    6    9   19   22   26   28   32   35   39   43   50   58   62   69   76   82   87   93 
LCS_GDT     K   188_A     K   188_A      4    5   47      4    4    6    9   19   22   26   28   35   47   53   59   62   67   69   75   79   86   88   96 
LCS_GDT     H   189_A     H   189_A      6    6   47      4    4    7   17   22   28   35   42   42   47   52   57   61   67   71   75   80   86   89   97 
LCS_GDT     M   190_A     M   190_A      6    6   47      4    4    8   13   22   25   28   33   39   44   48   55   60   67   71   75   80   86   88   97 
LCS_GDT     R   191_A     R   191_A      6    6   47      4    4    6   15   22   27   35   42   42   48   53   57   61   67   71   75   80   86   89   97 
LCS_GDT     Y   192_A     Y   192_A      6    6   47      4    4    6   10   15   21   27   34   38   44   50   57   61   67   71   75   80   86   89   97 
LCS_GDT     I   193_A     I   193_A      6    6   47      3    4    6    7   12   22   26   32   38   41   46   49   51   56   58   66   73   77   86   93 
LCS_GDT     H   194_A     H   194_A      6   13   47      3    4    6   10   11   12   13   14   15   16   31   35   41   46   50   51   55   57   63   73 
LCS_GDT     G   195_A     G   195_A      4   13   47      3    4    4    5   11   12   13   14   15   16   16   19   20   35   47   51   51   52   54   64 
LCS_GDT     G   196_A     G   196_A      4   13   47      3    4    4    5    6   11   14   18   22   29   36   38   41   43   47   53   59   69   71   79 
LCS_GDT     Y   197_A     Y   197_A     10   13   47      7   10   10   10   11   12   14   16   20   25   31   37   41   43   47   51   51   59   59   63 
LCS_GDT     S   198_A     S   198_A     10   13   46      7   10   10   10   11   12   13   14   15   20   27   31   34   39   46   51   51   52   57   62 
LCS_GDT     S   199_A     S   199_A     10   13   16      7   10   10   10   11   12   13   14   15   16   16   19   20   21   22   28   31   35   46   53 
LCS_GDT     W   200_A     W   200_A     10   13   16      7   10   10   10   11   12   13   14   15   16   16   19   20   21   22   26   30   34   38   42 
LCS_GDT     W   201_A     W   201_A     10   13   16      7   10   10   10   11   12   13   14   15   16   20   21   27   29   37   41   45   50   54   54 
LCS_GDT     L   202_A     L   202_A     10   13   16      7   10   10   10   11   12   13   14   15   16   16   19   20   22   27   31   35   40   46   53 
LCS_GDT     L   203_A     L   203_A     10   13   16      7   10   10   10   11   12   13   14   15   16   16   19   20   21   22   22   23   30   32   34 
LCS_GDT     E   204_A     E   204_A     10   13   16      5   10   10   10   11   12   13   14   15   16   16   19   20   21   23   26   28   30   32   34 
LCS_GDT     K   205_A     K   205_A     10   13   16      5   10   10   10   11   12   13   14   15   16   16   19   20   21   22   25   28   38   44   47 
LCS_GDT     I   206_A     I   206_A     10   13   16      5   10   10   10   11   12   13   14   15   16   16   19   20   21   22   22   23   26   29   31 
LCS_GDT     K   207_A     K   207_A      4   12   16      0    3    4    7   11   11   13   14   14   14   15   19   19   21   22   22   23   26   29   31 
LCS_AVERAGE  LCS_A:  12.06  (   5.88    8.81   21.50 )

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     13     20     25     27     30     35     41     45     50     53     57     62     64     67     71     75     80     86     89     97 
GDT PERCENT_AT   6.28   9.66  12.08  13.04  14.49  16.91  19.81  21.74  24.15  25.60  27.54  29.95  30.92  32.37  34.30  36.23  38.65  41.55  43.00  46.86
GDT RMS_LOCAL    0.23   0.53   0.79   0.91   1.56   1.90   2.27   2.48   2.77   2.97   3.17   3.49   3.62   4.32   5.12   4.92   5.55   5.86   6.34   6.66
GDT RMS_ALL_AT  27.55  27.89  27.59  27.52  18.58  18.73  18.80  18.84  18.79  18.75  18.85  18.82  18.88  19.22  18.93  19.46  19.05  19.08  19.05  18.82

# Checking swapping
#   possible swapping detected:  D     3_A      D     3_A
#   possible swapping detected:  E    15_A      E    15_A
#   possible swapping detected:  Y    19_A      Y    19_A
#   possible swapping detected:  D    20_A      D    20_A
#   possible swapping detected:  Y    21_A      Y    21_A
#   possible swapping detected:  D    50_A      D    50_A
#   possible swapping detected:  E    63_A      E    63_A
#   possible swapping detected:  Y    74_A      Y    74_A
#   possible swapping detected:  E    75_A      E    75_A
#   possible swapping detected:  Y    81_A      Y    81_A
#   possible swapping detected:  Y    83_A      Y    83_A
#   possible swapping detected:  F    87_A      F    87_A
#   possible swapping detected:  D    97_A      D    97_A
#   possible swapping detected:  Y   105_A      Y   105_A
#   possible swapping detected:  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:  E   143_A      E   143_A
#   possible swapping detected:  D   152_A      D   152_A
#   possible swapping detected:  E   168_A      E   168_A
#   possible swapping detected:  D   177_A      D   177_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    41.880     0    0.127   0.127    41.880    0.000    0.000
LGA    I     2_A      I     2_A    41.483     0    0.059   0.639    43.922    0.000    0.000
LGA    D     3_A      D     3_A    39.945     0    0.364   1.193    40.655    0.000    0.000
LGA    P     4_A      P     4_A    36.428     0    0.061   0.347    39.520    0.000    0.000
LGA    F     5_A      F     5_A    35.513     0    0.066   1.087    36.886    0.000    0.000
LGA    T     6_A      T     6_A    34.700     0    0.063   1.162    36.734    0.000    0.000
LGA    W     7_A      W     7_A    32.711     0    0.030   1.611    34.916    0.000    0.000
LGA    G     8_A      G     8_A    31.898     0    0.020   0.020    32.446    0.000    0.000
LGA    F     9_A      F     9_A    32.915     0    0.103   1.181    37.691    0.000    0.000
LGA    G    10_A      G    10_A    29.005     0    0.342   0.342    30.677    0.000    0.000
LGA    G    11_A      G    11_A    27.395     0    0.150   0.150    27.827    0.000    0.000
LGA    S    12_A      S    12_A    22.903     0    0.613   0.829    24.401    0.000    0.000
LGA    S    13_A      S    13_A    19.367     0    0.683   0.717    21.531    0.000    0.000
LGA    K    14_A      K    14_A    18.991     0    0.595   0.864    21.010    0.000    0.000
LGA    E    15_A      E    15_A    19.841     0    0.195   0.988    20.352    0.000    0.000
LGA    K    16_A      K    16_A    18.072     0    0.451   0.568    19.958    0.000    0.000
LGA    P    17_A      P    17_A    21.656     0    0.339   0.328    22.320    0.000    0.000
LGA    N    18_A      N    18_A    21.999     0    0.479   0.869    23.458    0.000    0.000
LGA    Y    19_A      Y    19_A    21.408     0    0.059   1.261    22.597    0.000    0.000
LGA    D    20_A      D    20_A    25.396     0    0.113   1.087    30.265    0.000    0.000
LGA    Y    21_A      Y    21_A    21.298     0    0.067   0.171    23.290    0.000    0.000
LGA    S    22_A      S    22_A    27.884     0    0.028   0.103    31.179    0.000    0.000
LGA    A    23_A      A    23_A    25.857     0    0.025   0.033    26.427    0.000    0.000
LGA    D    24_A      D    24_A    19.416     0    0.023   0.137    21.565    0.000    0.000
LGA    K    25_A      K    25_A    24.195     0    0.039   0.869    28.537    0.000    0.000
LGA    K    26_A      K    26_A    28.885     0    0.010   1.009    37.742    0.000    0.000
LGA    L    27_A      L    27_A    23.387     0    0.044   1.332    24.936    0.000    0.000
LGA    I    28_A      I    28_A    22.531     0    0.089   0.197    25.964    0.000    0.000
LGA    E    29_A      E    29_A    30.148     0    0.050   0.109    34.505    0.000    0.000
LGA    I    30_A      I    30_A    30.591     0    0.204   1.333    31.755    0.000    0.000
LGA    N    31_A      N    31_A    24.761     0    0.653   0.918    26.393    0.000    0.000
LGA    T    32_A      T    32_A    28.548     0    0.167   0.165    30.616    0.000    0.000
LGA    R    33_A      R    33_A    28.947     0    0.137   1.391    28.947    0.000    0.000
LGA    P    34_A      P    34_A    28.929     0    0.624   0.621    31.965    0.000    0.000
LGA    I    35_A      I    35_A    23.580     0    0.143   0.194    25.471    0.000    0.000
LGA    S    36_A      S    36_A    23.254     0    0.127   0.580    23.254    0.000    0.000
LGA    T    37_A      T    37_A    22.675     0    0.290   1.073    26.969    0.000    0.000
LGA    D    38_A      D    38_A    19.423     0    0.116   0.112    24.166    0.000    0.000
LGA    N    39_A      N    39_A    12.356     0    0.091   1.108    15.147    0.000    0.417
LGA    A    40_A      A    40_A    14.092     0    0.040   0.040    16.106    0.000    0.000
LGA    K    41_A      K    41_A    17.977     0    0.063   0.787    26.657    0.000    0.000
LGA    Y    42_A      Y    42_A    12.938     0    0.404   1.452    14.512    0.000    0.000
LGA    W    43_A      W    43_A     9.544     0    0.660   1.475    11.378    0.119    2.857
LGA    C    44_A      C    44_A     9.852     0    0.022   0.819    13.443    0.476    0.794
LGA    F    45_A      F    45_A    16.761     0    0.585   1.151    19.534    0.000    0.000
LGA    D    46_A      D    46_A    20.238     0    0.501   1.322    23.209    0.000    0.000
LGA    K    47_A      K    47_A    20.336     0    0.145   0.812    26.111    0.000    0.000
LGA    G    48_A      G    48_A    19.232     0    0.274   0.274    19.232    0.000    0.000
LGA    N    49_A      N    49_A    12.910     0    0.581   1.015    15.259    0.000    0.000
LGA    D    50_A      D    50_A    10.965     0    0.323   1.140    15.481    3.690    1.845
LGA    L    51_A      L    51_A     5.820     0    0.482   1.362     7.742   11.429   18.452
LGA    G    52_A      G    52_A     9.173     0    0.342   0.342     9.173    5.119    5.119
LGA    C    53_A      C    53_A     6.473     0    0.611   0.884     7.192   25.357   20.794
LGA    L    54_A      L    54_A     3.345     0    0.579   0.549     9.968   52.500   31.131
LGA    S    55_A      S    55_A     4.179     0    0.598   0.921     7.665   45.238   34.206
LGA    L    56_A      L    56_A     3.808     0    0.060   0.100     4.690   43.452   40.357
LGA    E    57_A      E    57_A     4.018     0    0.042   0.655     7.568   43.452   29.101
LGA    K    58_A      K    58_A     3.171     0    0.024   1.322     9.615   57.738   35.820
LGA    L    59_A      L    59_A     2.004     0    0.021   0.114     3.435   71.310   64.286
LGA    E    60_A      E    60_A     2.039     0    0.048   0.913     6.910   70.833   51.852
LGA    A    61_A      A    61_A     1.552     0    0.039   0.036     1.857   79.405   78.095
LGA    L    62_A      L    62_A     0.839     0    0.059   0.133     2.992   86.190   75.536
LGA    E    63_A      E    63_A     2.036     0    0.034   1.164     5.844   63.333   55.450
LGA    S    64_A      S    64_A     3.129     0    0.066   0.667     3.785   52.024   51.349
LGA    K    65_A      K    65_A     3.307     0    0.139   0.928     4.476   51.786   47.407
LGA    D    66_A      D    66_A     2.620     0    0.580   1.118     4.735   50.714   55.000
LGA    L    67_A      L    67_A     2.052     0    0.200   1.350     6.317   68.810   52.024
LGA    K    68_A      K    68_A     2.383     0    0.063   0.700     5.164   68.810   53.545
LGA    K    69_A      K    69_A     1.219     0    0.022   0.174     2.445   83.690   76.825
LGA    V    70_A      V    70_A     1.031     0    0.010   0.072     2.432   86.071   80.476
LGA    V    71_A      V    71_A     1.538     0    0.011   0.052     3.142   83.810   72.449
LGA    K    72_A      K    72_A     1.206     0    0.018   1.129     9.003   83.690   50.952
LGA    F    73_A      F    73_A     2.259     0    0.043   1.172     9.938   67.024   35.628
LGA    Y    74_A      Y    74_A     2.288     0    0.077   0.187     3.763   64.881   58.135
LGA    E    75_A      E    75_A     1.325     0    0.098   0.729     4.487   81.429   62.857
LGA    K    76_A      K    76_A     1.305     0    0.074   0.645     2.547   81.429   82.857
LGA    T    77_A      T    77_A     1.258     0    0.028   0.084     1.290   81.429   81.429
LGA    I    78_A      I    78_A     1.330     0    0.039   0.121     2.025   81.429   77.202
LGA    P    79_A      P    79_A     0.914     0    0.033   0.124     0.984   90.476   90.476
LGA    E    80_A      E    80_A     1.273     0    0.036   0.857     5.728   83.690   63.386
LGA    Y    81_A      Y    81_A     1.004     0    0.023   1.518     7.529   81.429   57.897
LGA    C    82_A      C    82_A     1.194     0    0.051   0.810     2.741   81.429   77.381
LGA    Y    83_A      Y    83_A     1.679     0    0.123   0.421     2.813   72.857   67.540
LGA    D    84_A      D    84_A     3.320     0    0.023   0.229     5.520   50.119   39.583
LGA    K    85_A      K    85_A     3.961     0    0.564   1.227     4.770   43.452   41.429
LGA    K    86_A      K    86_A     4.232     0    0.264   0.852    10.502   34.286   23.968
LGA    F    87_A      F    87_A     5.638     0    0.509   1.291     9.200   24.048   12.857
LGA    A    88_A      A    88_A     2.754     0    0.452   0.429     4.883   42.500   48.571
LGA    P    89_A      P    89_A     9.581     0    0.451   0.629    12.035    2.738    1.973
LGA    A    90_A      A    90_A     7.577     0    0.469   0.431     8.865   12.262   10.381
LGA    C    91_A      C    91_A     1.709     0    0.415   0.458     3.305   65.119   66.349
LGA    N    92_A      N    92_A     2.580     0    0.382   1.277     5.193   59.048   58.155
LGA    I    93_A      I    93_A     5.315     0    0.585   1.591    12.160   34.524   18.393
LGA    P    94_A      P    94_A     1.718     0    0.515   0.694     2.337   77.381   73.129
LGA    A    95_A      A    95_A     2.003     0    0.603   0.594     3.012   70.833   66.667
LGA    I    96_A      I    96_A     4.523     0    0.108   1.091    12.157   45.476   25.060
LGA    D    97_A      D    97_A     5.132     0    0.031   1.093    11.109   30.238   16.250
LGA    L    98_A      L    98_A     6.384     0    0.191   1.387    10.170   16.190   10.595
LGA    I    99_A      I    99_A     6.962     0    0.141   1.501     9.073   13.095   10.238
LGA    Q   100_A      Q   100_A     7.540     0    0.027   1.144     8.723    8.333   10.529
LGA    Q   101_A      Q   101_A     6.178     0    0.082   0.333     8.844   11.548   28.042
LGA    K   102_A      K   102_A    10.812     0    0.096   0.844    15.320    0.714    0.317
LGA    L   103_A      L   103_A    13.508     0    0.057   1.080    16.086    0.000    0.000
LGA    S   104_A      S   104_A    11.809     0    0.019   0.044    13.651    0.000    0.159
LGA    Y   105_A      Y   105_A    13.331     0    0.040   0.288    19.811    0.000    0.000
LGA    Y   106_A      Y   106_A    18.873     0    0.096   1.595    20.893    0.000    0.000
LGA    V   107_A      V   107_A    18.835     0    0.571   0.541    18.867    0.000    0.000
LGA    R   108_A      R   108_A    17.918     0    0.631   1.537    19.001    0.000    0.000
LGA    N   109_A      N   109_A    15.694     0    0.705   1.171    17.520    0.000    0.000
LGA    D   110_A      D   110_A    18.701     0    0.603   0.626    21.362    0.000    0.000
LGA    I   111_A      I   111_A    18.010     0    0.312   0.981    18.841    0.000    0.000
LGA    D   112_A      D   112_A    17.618     0    0.550   1.078    18.592    0.000    0.000
LGA    N   113_A      N   113_A    16.384     0    0.232   0.273    17.158    0.000    0.000
LGA    K   114_A      K   114_A    16.993     0    0.600   0.898    20.664    0.000    0.000
LGA    T   115_A      T   115_A    21.466     0    0.567   1.400    25.552    0.000    0.000
LGA    I   116_A      I   116_A    20.246     0    0.117   1.226    21.343    0.000    0.000
LGA    K   117_A      K   117_A    21.143     0    0.046   1.033    21.997    0.000    0.000
LGA    T   118_A      T   118_A    22.271     0    0.181   1.111    24.694    0.000    0.000
LGA    F   119_A      F   119_A    20.524     0    0.018   1.247    22.571    0.000    0.000
LGA    Y   120_A      Y   120_A    18.843     0    0.027   0.699    19.695    0.000    0.000
LGA    S   121_A      S   121_A    19.704     0    0.033   0.697    20.840    0.000    0.000
LGA    D   122_A      D   122_A    19.228     0    0.010   0.103    21.905    0.000    0.000
LGA    Y   123_A      Y   123_A    17.021     0    0.033   0.505    18.007    0.000    0.000
LGA    A   124_A      A   124_A    15.803     0    0.007   0.012    16.493    0.000    0.000
LGA    K   125_A      K   125_A    15.782     0    0.012   1.004    22.382    0.000    0.000
LGA    A   126_A      A   126_A    14.846     0    0.013   0.017    15.415    0.000    0.000
LGA    L   127_A      L   127_A    12.201     0    0.005   1.356    13.958    0.000    0.000
LGA    S   128_A      S   128_A    11.984     0    0.090   0.686    12.834    0.000    0.000
LGA    E   129_A      E   129_A    12.417     0    0.099   0.200    16.402    0.000    0.000
LGA    S   130_A      S   130_A    10.606     0    0.460   0.744    11.332    0.119    0.873
LGA    K   131_A      K   131_A     7.272     0    0.233   0.878     8.883   13.333    8.942
LGA    A   132_A      A   132_A     4.704     0    0.022   0.028     5.554   40.000   37.238
LGA    D   133_A      D   133_A     2.603     0    0.157   0.325     3.555   51.905   50.952
LGA    V   134_A      V   134_A     4.869     0    0.022   0.067     7.043   32.857   24.558
LGA    K   135_A      K   135_A     4.950     0    0.035   0.977    13.790   35.833   19.471
LGA    M   136_A      M   136_A     1.982     0    0.293   0.859     3.678   62.976   61.250
LGA    L   137_A      L   137_A     3.233     0    0.105   1.433     7.319   52.024   42.083
LGA    E   138_A      E   138_A     3.009     0    0.503   0.499     7.312   59.286   39.471
LGA    Y   139_A      Y   139_A     3.454     0    0.180   1.386    13.955   55.476   22.778
LGA    G   140_A      G   140_A     1.550     0    0.035   0.035     1.752   75.000   75.000
LGA    C   141_A      C   141_A     3.763     0    0.160   0.660     5.769   41.667   38.333
LGA    N   142_A      N   142_A     5.225     0    0.076   0.172     7.447   24.167   30.833
LGA    E   143_A      E   143_A     5.854     0    0.023   0.662     7.809   18.690   16.825
LGA    L   144_A      L   144_A     5.977     0    0.212   1.311     9.111   19.524   15.536
LGA    K   145_A      K   145_A     6.979     0    0.383   0.842    14.696   19.524    8.995
LGA    S   146_A      S   146_A     3.849     0    0.589   0.858     6.499   40.714   34.365
LGA    A   147_A      A   147_A     4.377     0    0.065   0.077     7.443   36.548   34.476
LGA    Y   148_A      Y   148_A     5.126     0    0.022   1.036     8.988   20.595   26.389
LGA    I   149_A      I   149_A     9.597     0    0.042   0.215    13.107    2.619    1.310
LGA    C   150_A      C   150_A    11.587     0    0.037   0.775    15.224    0.000    0.000
LGA    R   151_A      R   151_A    13.745     0    0.068   1.390    17.119    0.000    0.000
LGA    D   152_A      D   152_A    15.990     0    0.018   1.070    19.885    0.000    0.000
LGA    L   153_A      L   153_A    19.482     0    0.015   0.081    22.566    0.000    0.000
LGA    R   154_A      R   154_A    20.939     0    0.023   1.194    24.448    0.000    0.000
LGA    D   155_A      D   155_A    23.004     0    0.018   0.080    26.505    0.000    0.000
LGA    M   156_A      M   156_A    25.814     0    0.015   0.114    29.515    0.000    0.000
LGA    Y   157_A      Y   157_A    28.844     0    0.045   1.377    31.937    0.000    0.000
LGA    K   158_A      K   158_A    30.369     0    0.016   0.832    33.796    0.000    0.000
LGA    Y   159_A      Y   159_A    32.478     0    0.101   1.355    36.050    0.000    0.000
LGA    L   160_A      L   160_A    35.698     0    0.030   0.058    38.924    0.000    0.000
LGA    G   161_A      G   161_A    38.111     0    0.040   0.040    39.034    0.000    0.000
LGA    D   162_A      D   162_A    35.405     0    0.097   0.135    35.891    0.000    0.000
LGA    K   163_A      K   163_A    34.320     0    0.037   0.622    42.281    0.000    0.000
LGA    E   164_A      E   164_A    31.954     0    0.021   0.682    36.286    0.000    0.000
LGA    K   165_A      K   165_A    27.975     0    0.023   0.561    29.952    0.000    0.000
LGA    T   166_A      T   166_A    26.463     0    0.031   0.035    29.388    0.000    0.000
LGA    K   167_A      K   167_A    25.418     0    0.030   0.614    27.410    0.000    0.000
LGA    E   168_A      E   168_A    21.867     0    0.006   1.028    24.390    0.000    0.000
LGA    Y   169_A      Y   169_A    18.272     0    0.025   1.183    21.870    0.000    0.000
LGA    N   170_A      N   170_A    18.768     0    0.026   1.217    22.497    0.000    0.000
LGA    D   171_A      D   171_A    16.626     0    0.038   0.050    20.948    0.000    0.000
LGA    K   172_A      K   172_A    12.181     0    0.031   0.080    18.613    0.357    0.159
LGA    M   173_A      M   173_A    10.815     0    0.143   0.810    16.124    0.119    0.060
LGA    K   174_A      K   174_A    12.135     0    0.136   0.226    22.146    0.000    0.000
LGA    N   175_A      N   175_A     8.642     0    0.166   1.121    11.876    5.119    2.738
LGA    G   176_A      G   176_A     6.893     0    0.522   0.522     7.175   12.619   12.619
LGA    D   177_A      D   177_A    10.803     0    0.349   1.379    13.833    0.357    0.179
LGA    E   178_A      E   178_A    14.556     0    0.649   0.991    20.951    0.000    0.000
LGA    K   179_A      K   179_A    18.595     0    0.166   0.936    27.070    0.000    0.000
LGA    W   180_A      W   180_A    14.894     0    0.255   1.493    15.781    0.000    0.000
LGA    N   181_A      N   181_A    11.816     0    0.498   0.865    13.692    0.000    0.000
LGA    S   182_A      S   182_A    17.230     0    0.621   0.793    21.842    0.000    0.000
LGA    V   183_A      V   183_A    16.365     0    0.149   1.078    19.555    0.000    0.000
LGA    L   184_A      L   184_A    15.765     0    0.108   0.122    17.784    0.000    0.000
LGA    Y   185_A      Y   185_A    13.093     0    0.333   1.146    20.040    0.000    0.000
LGA    D   186_A      D   186_A    12.317     0    0.609   0.855    14.170    0.000    0.000
LGA    Y   187_A      Y   187_A    12.259     0    0.008   1.274    17.225    0.000    0.000
LGA    K   188_A      K   188_A     7.999     0    0.155   1.175     9.071    5.119    6.931
LGA    H   189_A      H   189_A    10.928     0    0.591   1.057    17.296    0.119    0.048
LGA    M   190_A      M   190_A    13.894     0    0.175   0.945    19.393    0.000    0.000
LGA    R   191_A      R   191_A    11.433     0    0.056   0.769    11.902    0.000    0.000
LGA    Y   192_A      Y   192_A    11.868     0    0.230   1.061    15.535    0.000    0.635
LGA    I   193_A      I   193_A    17.037     0    0.186   1.267    20.182    0.000    0.000
LGA    H   194_A      H   194_A    19.886     0    0.635   1.436    22.975    0.000    0.000
LGA    G   195_A      G   195_A    18.905     0    0.428   0.428    20.749    0.000    0.000
LGA    G   196_A      G   196_A    17.961     0    0.051   0.051    21.105    0.000    0.000
LGA    Y   197_A      Y   197_A    22.968     0    0.450   1.296    27.576    0.000    0.000
LGA    S   198_A      S   198_A    21.831     0    0.042   0.686    24.823    0.000    0.000
LGA    S   199_A      S   199_A    27.195     0    0.055   0.659    29.762    0.000    0.000
LGA    W   200_A      W   200_A    27.788     0    0.012   1.139    32.748    0.000    0.000
LGA    W   201_A      W   201_A    26.445     0    0.046   1.538    29.733    0.000    0.000
LGA    L   202_A      L   202_A    30.584     0    0.068   0.106    34.589    0.000    0.000
LGA    L   203_A      L   203_A    35.294     0    0.083   1.363    38.635    0.000    0.000
LGA    E   204_A      E   204_A    34.620     0    0.082   1.007    36.846    0.000    0.000
LGA    K   205_A      K   205_A    36.089     0    0.034   0.541    39.751    0.000    0.000
LGA    I   206_A      I   206_A    42.097     0    0.043   0.208    45.926    0.000    0.000
LGA    K   207_A      K   207_A    44.591     0    0.485   1.091    47.876    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      207     828    828  100.00    1714   1714  100.00               207
SUMMARY(RMSD_GDC):    16.911         16.903                 17.409           17.030   14.573

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  207  207    4.0     45    2.48    20.169    17.723     1.741

LGA_LOCAL      RMSD:   2.485  Number of atoms:   45  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  18.840  Number of assigned atoms:  207 
Std_ASGN_ATOMS RMSD:  16.911  Standard rmsd on all 207 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.133532 * X  +  -0.976698 * Y  +  -0.168018 * Z  +  -7.276349
  Y_new =  -0.341088 * X  +   0.113886 * Y  +  -0.933107 * Z  +   0.869931
  Z_new =   0.930499 * X  +   0.181909 * Y  +  -0.317932 * Z  +   8.027756 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.197648 -1.195773  2.621894   [DEG:  -68.6202  -68.5127  150.2234 ]
ZXZ: -0.178154  1.894344  1.377735   [DEG:  -10.2074  108.5379   78.9384 ]
 
# END of job
