
#######################################################
#                                                     #
#                        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:    64      85_A - 148_A       5.00    14.48
  LCS_AVERAGE:     21.99

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    23     155_A - 177_A       1.93    17.99
  LCS_AVERAGE:      4.62

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    17     159_A - 175_A       0.78    18.74
  LONGEST_CONTINUOUS_SEGMENT:    17     160_A - 176_A       0.93    18.24
  LCS_AVERAGE:      2.76

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    3   15      0    3    3    5    6    7    8   10   11   15   16   23   24   39   44   47   49   51   51   55 
LCS_GDT     I     2_A     I     2_A      3    5   15      3    3    3    4    5    6    8   10   12   15   20   23   27   29   33   35   42   45   55   55 
LCS_GDT     D     3_A     D     3_A      3    5   15      3    3    4    5    6    7    8   10   12   16   20   24   28   31   42   46   48   52   61   65 
LCS_GDT     P     4_A     P     4_A      3    5   15      3    3    4    5    6    7    9   10   12   15   16   23   27   30   37   42   48   57   61   67 
LCS_GDT     F     5_A     F     5_A      3    5   15      3    3    4    5    6    7    9   10   12   16   20   23   27   29   37   46   47   52   59   63 
LCS_GDT     T     6_A     T     6_A      3    6   15      4    4    4    5    5    7    9   10   12   12   13   16   18   22   22   33   35   37   42   48 
LCS_GDT     W     7_A     W     7_A      3    6   15      4    4    5    5    5    6    7    9   11   12   13   15   18   22   22   23   35   37   42   43 
LCS_GDT     G     8_A     G     8_A      3    6   15      4    4    5    5    6    7    9   10   12   12   15   23   24   27   30   35   43   52   61   65 
LCS_GDT     F     9_A     F     9_A      3    6   15      3    3    5    5    6    7    9   10   12   12   12   12   13   22   22   23   26   31   33   36 
LCS_GDT     G    10_A     G    10_A      3    6   15      3    3    5    5    6    6    9   10   12   12   13   15   18   22   22   32   44   53   61   67 
LCS_GDT     G    11_A     G    11_A      3    6   15      4    4    5    5    6    7    9   10   12   16   20   29   32   39   41   55   69   78   93  104 
LCS_GDT     S    12_A     S    12_A      3    6   15      3    3    4    5    6    7   11   14   22   24   26   35   39   56   61   70   82   90   96  104 
LCS_GDT     S    13_A     S    13_A      4    6   15      3    4    4    5    6    7   11   22   31   39   43   50   56   64   72   76   82   90   96  104 
LCS_GDT     K    14_A     K    14_A      4    5   27      3    4    4    5    7   11   16   25   34   46   53   62   68   74   84   87   92   98  103  110 
LCS_GDT     E    15_A     E    15_A      4    5   27      3    4    6   10   16   24   30   36   46   52   59   66   73   80   84   88   93   99  106  110 
LCS_GDT     K    16_A     K    16_A      4    6   27      3    4    4    4    6    9   24   29   35   46   57   66   73   80   84   88   93   99  106  110 
LCS_GDT     P    17_A     P    17_A      3    6   27      3    3    4    5   17   20   24   29   35   46   57   66   73   80   84   88   93   99  106  110 
LCS_GDT     N    18_A     N    18_A      4    6   27      3    3    4    6    9   11   21   23   28   34   47   51   65   72   78   87   91   97  106  109 
LCS_GDT     Y    19_A     Y    19_A      4    6   27      3    3    4    6   11   15   21   29   35   41   54   66   73   80   84   88   93   99  106  110 
LCS_GDT     D    20_A     D    20_A      4    6   27      3    3    4    6    7   12   14   19   29   34   38   45   48   58   65   77   87   95   98  102 
LCS_GDT     Y    21_A     Y    21_A      4    6   27      3    3    5    6    8   12   19   23   29   34   39   45   52   65   78   82   89   97  106  110 
LCS_GDT     S    22_A     S    22_A      4    6   27      4    4    5    6    7   12   19   23   29   34   39   54   54   65   71   78   87   95  106  109 
LCS_GDT     A    23_A     A    23_A      4    6   27      4    4    5    6    7   12   16   23   29   42   50   54   65   72   78   87   93   98  106  109 
LCS_GDT     D    24_A     D    24_A      6    7   27      4    6    7    7   11   20   29   41   46   52   59   66   73   80   84   88   93   99  106  110 
LCS_GDT     K    25_A     K    25_A      6    7   27      4    6    7   11   13   21   30   38   46   52   59   66   73   80   84   88   93   99  106  110 
LCS_GDT     K    26_A     K    26_A      6    7   27      3    6    7   11   13   19   30   38   46   52   59   66   73   80   84   88   93   99  106  110 
LCS_GDT     L    27_A     L    27_A      6    7   27      3    6    7   11   13   16   19   38   43   47   59   66   73   80   84   88   93   99  106  110 
LCS_GDT     I    28_A     I    28_A      6    7   27      3    6    7   11   13   16   19   38   43   47   59   66   73   80   84   88   93   99  106  110 
LCS_GDT     E    29_A     E    29_A      6    7   27      3    6    7   11   13   17   29   38   43   49   59   66   73   80   84   88   93   99  106  110 
LCS_GDT     I    30_A     I    30_A      5    7   27      3    3    7    7   11   17   29   38   43   47   55   65   69   78   84   88   92   99  106  110 
LCS_GDT     N    31_A     N    31_A      4    7   27      0    3    5   16   18   23   33   36   42   50   59   66   73   80   84   88   93   99  106  110 
LCS_GDT     T    32_A     T    32_A      4    7   27      2    3    6    8   25   32   36   41   46   52   59   66   73   80   84   88   93   99  106  110 
LCS_GDT     R    33_A     R    33_A      4    7   27      0    3    6   17   25   32   36   41   46   52   59   66   73   80   84   88   93   99  106  110 
LCS_GDT     P    34_A     P    34_A      4    7   49      2    4    8   17   25   32   36   41   46   52   59   66   73   80   84   88   93   99  106  110 
LCS_GDT     I    35_A     I    35_A      4    7   49      3    4    6    7   25   32   36   41   46   52   59   66   73   80   84   88   93   99  106  110 
LCS_GDT     S    36_A     S    36_A      4    7   49      3    3   11   13   14   21   35   39   43   48   54   60   68   78   83   87   93   99  106  110 
LCS_GDT     T    37_A     T    37_A      4    7   49      4    4    5    7    8   14   22   25   25   29   51   59   67   74   81   87   93   99  106  110 
LCS_GDT     D    38_A     D    38_A      4    6   51      4    4    5   13   14   21   29   39   41   48   54   59   67   74   80   86   93   98  104  110 
LCS_GDT     N    39_A     N    39_A      4    6   51      4    4   11   13   15   21   35   39   43   48   54   60   67   74   80   87   93   98  106  110 
LCS_GDT     A    40_A     A    40_A      4    5   51      4    4    9   14   15   26   31   38   41   48   54   62   69   78   83   87   93   99  106  110 
LCS_GDT     K    41_A     K    41_A      3    5   51      3    3    3    4   15   24   33   40   46   51   57   63   72   80   84   88   93   99  106  110 
LCS_GDT     Y    42_A     Y    42_A      4    4   51      3    4    4    5    6    7   12   15   25   31   35   54   59   74   79   85   92   97  102  108 
LCS_GDT     W    43_A     W    43_A      4    4   51      3    4    4    7   12   25   32   37   44   48   54   60   67   74   80   87   93   98  106  110 
LCS_GDT     C    44_A     C    44_A      4    4   51      3    4    4    7    8   10   17   25   31   41   52   57   67   74   80   87   93   98  106  110 
LCS_GDT     F    45_A     F    45_A      4    4   51      3    4    5    5    6   10   18   25   31   34   39   42   45   48   50   60   76   88   91   98 
LCS_GDT     D    46_A     D    46_A      4    4   51      3    4    4    7   11   15   18   23   29   34   39   42   45   48   50   53   54   55   57   65 
LCS_GDT     K    47_A     K    47_A      4    4   51      3    4   10   15   17   19   22   25   31   34   39   42   45   48   50   53   55   55   59   77 
LCS_GDT     G    48_A     G    48_A      4    5   51      3    4    9   11   14   19   22   25   31   34   39   44   49   53   57   62   67   88   91   96 
LCS_GDT     N    49_A     N    49_A      3    5   51      3    3    4    7   13   19   23   27   34   37   40   44   49   56   63   67   81   88   91   96 
LCS_GDT     D    50_A     D    50_A      3    5   51      3    4    4    7   11   16   23   27   34   37   40   46   56   63   69   78   83   89   94  103 
LCS_GDT     L    51_A     L    51_A      3    5   51      3    4    4    7   11   16   23   27   34   37   40   44   53   60   67   77   83   89   94  103 
LCS_GDT     G    52_A     G    52_A      3    5   51      3    4    6    7    9   17   21   23   27   37   40   54   62   72   79   85   91   96  102  108 
LCS_GDT     C    53_A     C    53_A      3    4   51      3    3    6   12   17   19   22   25   31   34   39   47   65   74   82   87   93   99  106  110 
LCS_GDT     L    54_A     L    54_A      3    4   51      3    4    9   15   17   19   23   27   39   48   57   66   73   80   84   88   93   99  106  110 
LCS_GDT     S    55_A     S    55_A      4    6   51      3    5   10   15   17   26   32   40   46   52   59   66   73   80   84   88   93   99  106  110 
LCS_GDT     L    56_A     L    56_A      4    6   51      3    4    4    6   16   23   28   36   46   52   59   66   73   80   84   88   93   99  106  110 
LCS_GDT     E    57_A     E    57_A      4    6   51      3    4    4    5    8   12   17   25   38   46   53   62   69   75   84   88   92   99  106  110 
LCS_GDT     K    58_A     K    58_A      4    6   51      3    4   10   15   17   19   22   31   38   46   54   62   73   80   84   88   92   99  106  110 
LCS_GDT     L    59_A     L    59_A      4    6   51      3    5   10   15   17   19   22   31   39   46   56   64   73   80   84   88   93   99  106  110 
LCS_GDT     E    60_A     E    60_A      4    6   51      3    3    4    6    9   16   22   25   31   39   49   56   63   72   78   82   87   95  101  106 
LCS_GDT     A    61_A     A    61_A      4    4   51      3    4   10   15   17   19   22   25   31   34   40   47   58   69   72   81   85   95   97  104 
LCS_GDT     L    62_A     L    62_A      6    6   51      3    3    6    8   10   15   19   23   31   39   43   54   61   72   76   82   87   95   99  106 
LCS_GDT     E    63_A     E    63_A      6    6   51      3    6   10   15   17   19   22   25   31   39   43   54   61   72   78   81   87   95   97  104 
LCS_GDT     S    64_A     S    64_A      6    6   51      3    6    9   15   17   19   22   25   31   34   39   42   45   48   53   61   70   81   93   97 
LCS_GDT     K    65_A     K    65_A      6    6   51      3    6   10   15   17   19   22   25   31   34   39   42   47   56   65   72   80   86   93   97 
LCS_GDT     D    66_A     D    66_A      6    6   51      3    6   10   15   17   19   22   25   31   34   39   42   45   48   50   53   54   59   71   79 
LCS_GDT     L    67_A     L    67_A      6    6   51      1    5    6    9   13   19   21   25   30   34   39   42   45   48   50   53   54   58   65   75 
LCS_GDT     K    68_A     K    68_A      3    6   51      3    3    9   15   17   19   22   25   31   34   39   42   45   48   50   53   54   55   56   62 
LCS_GDT     K    69_A     K    69_A      3    7   51      3    3    6    7   17   19   22   25   31   34   39   42   45   48   50   53   54   59   71   81 
LCS_GDT     V    70_A     V    70_A      3    7   51      3    4    6    9   12   19   21   25   30   34   39   42   45   55   65   72   80   86   93   97 
LCS_GDT     V    71_A     V    71_A      4    7   51      2    4    4    7   14   19   22   25   31   34   39   42   45   48   50   53   58   70   75   86 
LCS_GDT     K    72_A     K    72_A      4    7   51      2    4    6    7   11   15   18   23   31   34   39   42   45   48   50   53   62   66   71   80 
LCS_GDT     F    73_A     F    73_A      4    7   51      1    4    5    6    8   14   19   25   31   34   39   42   45   50   52   66   77   81   87   94 
LCS_GDT     Y    74_A     Y    74_A      4    7   51      3    4    9   15   17   19   22   25   31   34   39   43   48   52   61   72   77   84   92  100 
LCS_GDT     E    75_A     E    75_A      4    7   51      3    4    6    9   17   18   20   24   31   34   39   42   45   48   54   59   63   67   71   80 
LCS_GDT     K    76_A     K    76_A      4    5   51      3    4    5    7   10   15   18   20   24   28   35   42   45   52   56   60   71   78   84   93 
LCS_GDT     T    77_A     T    77_A      4    5   51      3    4    5    8   11   15   18   23   29   34   40   46   57   68   78   82   87   95   99  105 
LCS_GDT     I    78_A     I    78_A      4    5   51      3    5    9   15   17   19   22   25   31   34   43   53   62   69   78   82   89   97  106  110 
LCS_GDT     P    79_A     P    79_A      4    4   51      3    5   10   15   17   19   22   25   31   34   40   46   57   67   78   82   87   95  106  109 
LCS_GDT     E    80_A     E    80_A      4    5   51      3    4    6    8   11   15   18   23   30   34   47   51   62   69   78   82   88   95  106  109 
LCS_GDT     Y    81_A     Y    81_A      3    5   61      3    3    5    8   12   18   21   28   35   46   54   64   73   80   84   88   93   99  106  110 
LCS_GDT     C    82_A     C    82_A      3    5   61      3    4    5   10   16   19   22   28   38   46   57   66   73   80   84   88   93   99  106  110 
LCS_GDT     Y    83_A     Y    83_A      4    5   61      3    4    5    7    8   10   14   27   33   40   51   58   67   78   84   88   93   99  106  110 
LCS_GDT     D    84_A     D    84_A      4    5   61      3    4    5    7    9   15   22   28   38   46   57   66   73   80   84   88   93   99  106  110 
LCS_GDT     K    85_A     K    85_A      4    5   64      3    4    8   13   18   27   34   41   46   52   59   66   73   80   84   88   93   99  106  110 
LCS_GDT     K    86_A     K    86_A      4    5   64      3    4    6   11   17   26   31   38   41   47   54   62   69   74   84   87   93   98  106  110 
LCS_GDT     F    87_A     F    87_A      3    5   64      3    4   10   15   18   28   33   40   46   52   56   63   72   78   84   88   93   99  106  110 
LCS_GDT     A    88_A     A    88_A      4    5   64      3    5   10   13   22   32   36   41   46   52   59   66   72   79   84   88   93   99  106  110 
LCS_GDT     P    89_A     P    89_A      4    6   64      3    4    5    9   13   20   31   39   43   48   54   58   67   73   78   83   92   96  102  106 
LCS_GDT     A    90_A     A    90_A      4    6   64      3    5    5    6   13   17   29   36   43   49   55   65   68   74   78   87   93   98  106  110 
LCS_GDT     C    91_A     C    91_A      4    6   64      3    7   10   17   25   32   36   41   46   52   59   66   73   80   84   88   93   99  106  110 
LCS_GDT     N    92_A     N    92_A      3    6   64      3    3    3    5    9   11   16   20   41   46   54   60   67   73   78   87   93   98  103  107 
LCS_GDT     I    93_A     I    93_A      3   18   64      3    7    8   17   25   32   36   41   46   52   59   66   73   80   84   88   93   99  106  110 
LCS_GDT     P    94_A     P    94_A      6   18   64      4    7   11   15   17   24   32   41   46   52   59   66   73   80   84   88   93   99  106  110 
LCS_GDT     A    95_A     A    95_A      6   18   64      4    5    8   15   17   20   25   32   41   52   59   66   73   80   84   88   93   99  106  110 
LCS_GDT     I    96_A     I    96_A      6   18   64      4    5   10   15   17   25   32   41   46   52   59   66   73   80   84   88   93   99  106  110 
LCS_GDT     D    97_A     D    97_A      7   18   64      4    9   16   18   24   32   36   41   46   52   59   66   73   80   84   88   93   99  106  110 
LCS_GDT     L    98_A     L    98_A      7   18   64      3    5   10   15   17   19   25   32   43   52   59   66   73   80   84   88   93   99  106  110 
LCS_GDT     I    99_A     I    99_A      8   18   64      3    7   11   15   17   20   25   32   38   47   56   66   73   80   84   88   93   99  106  110 
LCS_GDT     Q   100_A     Q   100_A      9   18   64      4    9   12   17   21   22   24   38   46   52   59   66   73   80   84   88   93   99  106  110 
LCS_GDT     Q   101_A     Q   101_A      9   18   64      3    7   11   16   25   32   36   41   46   52   59   66   73   80   84   88   93   99  106  110 
LCS_GDT     K   102_A     K   102_A      9   18   64      4    7   11   15   21   32   36   41   46   52   59   66   73   80   84   88   93   99  106  110 
LCS_GDT     L   103_A     L   103_A      9   18   64      4    7   11   15   19   29   36   41   46   52   59   66   73   80   84   88   93   99  106  110 
LCS_GDT     S   104_A     S   104_A      9   18   64      5    7   11   16   25   32   36   41   46   52   59   66   73   80   84   88   93   99  106  110 
LCS_GDT     Y   105_A     Y   105_A      9   18   64      5    6   11   17   25   32   36   41   46   52   59   66   73   80   84   88   93   99  106  110 
LCS_GDT     Y   106_A     Y   106_A      9   18   64      5    7   11   17   25   32   36   41   46   52   59   66   73   80   84   88   93   99  106  110 
LCS_GDT     V   107_A     V   107_A      9   18   64      5    7   11   17   25   32   36   41   46   52   59   66   73   80   84   88   93   99  106  110 
LCS_GDT     R   108_A     R   108_A      9   18   64      5    7   11   15   17   28   34   41   46   52   59   66   73   80   84   88   93   99  106  110 
LCS_GDT     N   109_A     N   109_A      4   18   64      3    4    9   15   17   22   28   32   42   52   59   66   73   80   84   88   93   99  106  110 
LCS_GDT     D   110_A     D   110_A      4   18   64      3    5   10   14   20   32   36   41   46   52   59   66   73   80   84   88   93   99  106  110 
LCS_GDT     I   111_A     I   111_A      4   15   64      3    4    6    6   11   15   23   34   39   46   52   62   68   75   84   87   93   99  106  110 
LCS_GDT     D   112_A     D   112_A      4    7   64      3    3    5    6   11   18   23   26   29   36   44   50   60   69   80   85   91   97  103  110 
LCS_GDT     N   113_A     N   113_A      3    7   64      3    3    3    6   11   18   21   27   36   43   52   60   66   75   82   87   93   99  104  110 
LCS_GDT     K   114_A     K   114_A      3    8   64      3    3    4    5   11   15   20   26   36   46   51   58   66   75   82   87   93   99  104  110 
LCS_GDT     T   115_A     T   115_A      5    8   64      3    5    7   15   20   30   36   41   46   52   59   66   73   80   84   88   93   99  106  110 
LCS_GDT     I   116_A     I   116_A      5    8   64      3    7   10   17   25   32   36   41   46   52   59   66   73   80   84   88   93   99  106  110 
LCS_GDT     K   117_A     K   117_A      5    8   64      3    5   10   16   24   32   36   41   46   52   59   66   73   80   84   88   93   99  106  110 
LCS_GDT     T   118_A     T   118_A      5    8   64      3    5   10   15   19   32   36   41   46   52   59   66   73   80   84   88   93   99  106  110 
LCS_GDT     F   119_A     F   119_A      5    8   64      3    7   10   17   25   32   36   41   46   52   59   66   73   80   84   88   93   99  106  110 
LCS_GDT     Y   120_A     Y   120_A      4    8   64      3    4    7   12   21   27   34   39   46   52   59   66   73   80   84   88   93   99  106  110 
LCS_GDT     S   121_A     S   121_A      4    8   64      3    6   10   17   25   32   36   41   46   52   59   66   73   80   84   88   93   99  106  110 
LCS_GDT     D   122_A     D   122_A      4    4   64      3    3    6   13   19   28   36   40   46   52   59   66   73   80   84   88   93   99  106  110 
LCS_GDT     Y   123_A     Y   123_A      4    4   64      3    7   10   17   25   32   36   41   46   52   59   66   73   80   84   88   93   99  106  110 
LCS_GDT     A   124_A     A   124_A      4    4   64      3    4    7   12   21   27   34   39   46   52   59   66   73   80   84   88   93   99  106  110 
LCS_GDT     K   125_A     K   125_A      4    4   64      3    7   10   17   25   32   36   41   46   52   59   66   73   80   84   88   93   99  106  110 
LCS_GDT     A   126_A     A   126_A      4    4   64      3    4    7   15   21   32   36   41   46   52   59   66   73   80   84   88   93   99  106  110 
LCS_GDT     L   127_A     L   127_A      4   12   64      3    5   10   16   25   32   36   41   46   52   59   66   73   80   84   88   93   99  106  110 
LCS_GDT     S   128_A     S   128_A      4   12   64      3    4    6    9   13   17   21   26   35   46   53   63   73   80   84   88   93   98  106  110 
LCS_GDT     E   129_A     E   129_A      4   12   64      3    4   10   14   25   32   36   41   46   52   59   66   73   80   84   88   93   99  106  110 
LCS_GDT     S   130_A     S   130_A      6   12   64      3    5   10   15   25   32   36   41   46   52   59   66   73   80   84   88   93   99  106  110 
LCS_GDT     K   131_A     K   131_A      6   12   64      3    5   10   17   25   32   36   41   46   52   59   66   73   80   84   88   93   99  106  110 
LCS_GDT     A   132_A     A   132_A      6   12   64      3    5   10   17   25   32   36   41   46   52   59   66   73   80   84   88   93   99  106  110 
LCS_GDT     D   133_A     D   133_A      7   12   64      3    6    8   12   25   32   36   41   46   52   59   66   73   80   84   88   93   98  106  110 
LCS_GDT     V   134_A     V   134_A      7   12   64      3    7   10   17   25   32   36   41   46   52   59   66   73   80   84   88   93   99  106  110 
LCS_GDT     K   135_A     K   135_A      7   12   64      3    7   10   17   25   32   36   41   46   52   59   66   73   80   84   88   93   99  106  110 
LCS_GDT     M   136_A     M   136_A      7   12   64      3    7   10   17   25   32   36   41   46   52   59   66   73   80   84   88   93   99  106  110 
LCS_GDT     L   137_A     L   137_A      7   12   64      3    7    8   13   25   32   36   41   46   52   59   66   73   80   84   88   93   99  106  110 
LCS_GDT     E   138_A     E   138_A      7   12   64      3    7    8   10   16   27   33   40   46   52   59   66   73   80   84   88   93   99  106  110 
LCS_GDT     Y   139_A     Y   139_A      7   12   64      3    7    8   10   16   17   25   33   43   49   56   66   73   80   84   88   93   99  106  110 
LCS_GDT     G   140_A     G   140_A      7   11   64      3    7    8    9   13   16   25   33   43   46   55   66   73   80   84   88   93   99  106  110 
LCS_GDT     C   141_A     C   141_A      4   11   64      3    4    6    9   13   17   23   32   40   49   56   66   73   80   84   88   93   99  106  110 
LCS_GDT     N   142_A     N   142_A      4   10   64      3    4    4   13   15   20   22   25   36   42   54   64   73   80   84   88   93   99  106  110 
LCS_GDT     E   143_A     E   143_A      4    5   64      3    4   10   11   15   20   22   25   36   43   54   64   73   80   84   88   93   99  106  110 
LCS_GDT     L   144_A     L   144_A      4    5   64      3    7   11   13   15   20   22   25   32   38   48   61   72   80   84   88   93   99  106  110 
LCS_GDT     K   145_A     K   145_A      3    5   64      3    5    8   13   15   20   22   25   33   40   54   61   72   80   84   88   93   99  106  110 
LCS_GDT     S   146_A     S   146_A      3    4   64      3    3    5   10   14   18   28   35   46   52   59   66   73   80   84   88   93   99  106  110 
LCS_GDT     A   147_A     A   147_A      3    5   64      3    3    6   12   18   26   32   37   46   52   59   66   73   80   84   88   93   99  106  110 
LCS_GDT     Y   148_A     Y   148_A      3    5   64      3    5    7   12   21   28   34   41   46   52   59   66   73   80   84   88   93   99  106  110 
LCS_GDT     I   149_A     I   149_A      3   14   59      3    3    3   13   15   20   22   28   35   47   57   66   73   80   84   88   93   99  106  110 
LCS_GDT     C   150_A     C   150_A      5   14   39      4    5    8   10   15   20   22   25   26   30   39   52   60   75   80   87   93   99  106  110 
LCS_GDT     R   151_A     R   151_A      8   14   39      4    5    9   13   15   20   23   29   33   38   54   61   69   80   84   88   93   99  106  110 
LCS_GDT     D   152_A     D   152_A     10   14   39      4    8   10   13   14   18   22   25   29   34   39   45   53   61   77   87   93   99  106  110 
LCS_GDT     L   153_A     L   153_A     10   14   39      4    8   10   13   15   20   22   25   27   30   38   44   49   60   68   82   93   99  106  110 
LCS_GDT     R   154_A     R   154_A     10   14   39      4    8   11   13   15   20   22   25   29   34   39   45   56   67   78   87   93   99  106  110 
LCS_GDT     D   155_A     D   155_A     10   23   39      4    8   11   13   15   20   22   25   27   34   39   44   51   60   68   82   93   99  106  110 
LCS_GDT     M   156_A     M   156_A     10   23   39      4    8   11   16   19   21   24   25   27   30   38   41   48   55   65   72   84   91   98  110 
LCS_GDT     Y   157_A     Y   157_A     10   23   39      5    8   11   13   19   21   24   25   27   30   38   41   48   55   65   72   84   91  100  108 
LCS_GDT     K   158_A     K   158_A     10   23   39      5    8   11   13   19   22   24   25   27   30   38   41   48   55   60   72   84   91   98  106 
LCS_GDT     Y   159_A     Y   159_A     17   23   39      5    8   16   18   21   22   24   25   27   30   38   41   48   55   60   65   76   91   98  105 
LCS_GDT     L   160_A     L   160_A     17   23   39      5    8   11   18   21   22   24   25   27   30   38   41   48   55   60   65   70   87   98  105 
LCS_GDT     G   161_A     G   161_A     17   23   39      5   15   16   18   21   22   24   25   27   30   38   41   48   55   60   65   70   80   90  104 
LCS_GDT     D   162_A     D   162_A     17   23   39     10   15   16   18   21   22   24   25   27   29   34   40   45   55   60   65   70   80   90   94 
LCS_GDT     K   163_A     K   163_A     17   23   39     11   15   16   18   21   22   24   25   27   29   38   41   48   55   60   68   84   91   98  105 
LCS_GDT     E   164_A     E   164_A     17   23   39     11   15   16   18   21   22   24   25   27   29   34   39   42   46   54   62   70   85   92  101 
LCS_GDT     K   165_A     K   165_A     17   23   39     11   15   16   18   21   22   24   25   27   29   34   39   42   46   50   62   70   80   90  101 
LCS_GDT     T   166_A     T   166_A     17   23   39     11   15   16   18   21   22   24   25   27   29   35   41   49   60   73   84   93   99  106  110 
LCS_GDT     K   167_A     K   167_A     17   23   39     11   15   16   18   21   22   24   25   27   29   39   43   52   63   77   84   93   99  106  110 
LCS_GDT     E   168_A     E   168_A     17   23   39     11   15   16   18   21   22   24   25   27   32   37   40   43   47   57   67   80   88   97  105 
LCS_GDT     Y   169_A     Y   169_A     17   23   39     11   15   16   18   21   22   24   25   27   32   37   42   52   64   77   82   90   98  106  110 
LCS_GDT     N   170_A     N   170_A     17   23   39     11   15   16   18   21   22   24   25   36   40   53   64   72   80   84   88   93   99  106  110 
LCS_GDT     D   171_A     D   171_A     17   23   39     11   15   16   18   21   22   24   25   28   35   47   61   67   75   78   84   92   98  106  110 
LCS_GDT     K   172_A     K   172_A     17   23   39     11   15   16   18   21   22   24   25   27   29   34   39   48   65   78   84   88   96  102  107 
LCS_GDT     M   173_A     M   173_A     17   23   39     11   15   16   18   21   22   24   26   36   42   51   61   67   75   83   88   92   97  106  110 
LCS_GDT     K   174_A     K   174_A     17   23   39      6   15   16   18   21   22   24   26   36   42   51   61   67   75   81   88   92   96  103  109 
LCS_GDT     N   175_A     N   175_A     17   23   39      7   15   16   18   21   22   24   25   27   32   40   52   62   69   78   83   87   95   99  106 
LCS_GDT     G   176_A     G   176_A     17   23   39      3    5   11   18   21   22   24   25   27   34   41   49   60   69   78   83   87   95   99  106 
LCS_GDT     D   177_A     D   177_A      5   23   39      3    5    5   18   21   22   24   25   27   29   31   37   40   46   55   64   78   85   90   95 
LCS_GDT     E   178_A     E   178_A      5   22   39      3    5    5    6   11   17   22   23   26   29   31   35   39   46   55   60   63   70   84   91 
LCS_GDT     K   179_A     K   179_A      5    6   36      3    5    5    6    7   11   19   23   25   28   30   34   37   40   42   45   50   53   70   77 
LCS_GDT     W   180_A     W   180_A      5    6   35      3    5    5    8    9   10   12   16   22   26   29   34   37   44   55   60   67   70   82   93 
LCS_GDT     N   181_A     N   181_A      3    6   35      3    3    5    8    9   10   12   15   19   20   26   33   39   46   55   60   67   70   73   86 
LCS_GDT     S   182_A     S   182_A      3    5   35      1    3    4    4    7    9   12   14   18   21   25   32   35   46   55   60   67   70   74   91 
LCS_GDT     V   183_A     V   183_A      3    5   35      3    3    4    4    5    8   10   12   18   23   29   36   43   52   58   68   73   86   90   95 
LCS_GDT     L   184_A     L   184_A      3    5   35      3    3    4    5    8   10   12   14   18   21   24   32   35   40   55   60   67   70   73   82 
LCS_GDT     Y   185_A     Y   185_A      3    5   35      3    3    5    8    9   12   14   16   19   27   31   37   49   56   64   74   87   95   97  100 
LCS_GDT     D   186_A     D   186_A      3    5   35      3    3    4    8   10   15   19   23   24   30   38   46   55   69   78   83   88   95  102  107 
LCS_GDT     Y   187_A     Y   187_A      3    5   35      3    3    4    6   10   12   14   21   25   34   47   56   62   75   78   84   88   96  102  107 
LCS_GDT     K   188_A     K   188_A      3    5   35      3    3    5    8   11   14   17   19   23   31   35   46   57   69   78   83   87   95  102  106 
LCS_GDT     H   189_A     H   189_A      3    6   34      3    3    5    8    9   10   12   17   20   27   30   36   48   58   65   74   87   95   97  100 
LCS_GDT     M   190_A     M   190_A      4    6   32      3    4    4    8    9   10   12   17   22   28   30   37   57   67   70   78   87   95   97  102 
LCS_GDT     R   191_A     R   191_A      4    6   27      3    4    4    5    6    7   11   14   19   27   30   35   46   55   65   72   81   95   97  102 
LCS_GDT     Y   192_A     Y   192_A      4    6   24      3    4    4    5    5    6    8   12   20   23   29   42   48   58   65   77   87   95   97  102 
LCS_GDT     I   193_A     I   193_A      4    6   20      3    4    4    5    8    9   10   12   17   24   29   37   45   49   65   72   81   95   97   99 
LCS_GDT     H   194_A     H   194_A      3    6   20      3    3    4    5    5    7   10   12   16   19   23   24   30   37   54   63   73   78   95   97 
LCS_GDT     G   195_A     G   195_A      4    7   20      3    4    5    7    8    9   10   12   16   32   37   42   45   49   54   63   81   95   97  105 
LCS_GDT     G   196_A     G   196_A      4    7   20      3    4    5    7    8   10   15   22   27   33   47   52   62   75   82   88   92   99  106  110 
LCS_GDT     Y   197_A     Y   197_A      4    7   20      3    4    5    7    8    9   10   12   12   14   17   23   37   43   46   56   66   75   86   91 
LCS_GDT     S   198_A     S   198_A      4    7   20      3    4    5    7    8    9   10   12   12   14   18   21   25   26   30   32   35   56   59   72 
LCS_GDT     S   199_A     S   199_A      4    7   20      3    3    4    5    6    8   10   12   12   14   18   21   25   26   30   35   42   56   84   91 
LCS_GDT     W   200_A     W   200_A      3    7   20      3    3    5    7    8    9   10   12   12   14   18   37   43   49   59   72   77   86   93   97 
LCS_GDT     W   201_A     W   201_A      3    7   20      3    3    4    6    6    8   10   12   13   25   35   45   56   64   72   76   84   91   97  104 
LCS_GDT     L   202_A     L   202_A      3    4   20      3    3    4    5    8   11   15   22   31   39   43   53   57   65   72   76   84   91   97  104 
LCS_GDT     L   203_A     L   203_A      3    5   20      3    3    4    6    7   10   14   20   25   28   38   45   51   57   66   74   80   86   93   97 
LCS_GDT     E   204_A     E   204_A      3    5   20      3    3    4    7    8   11   14   20   31   36   41   49   55   64   70   76   80   86   93   97 
LCS_GDT     K   205_A     K   205_A      3    5   20      3    3    4    6    7   10   14   20   25   28   38   45   50   57   66   74   80   86   93   97 
LCS_GDT     I   206_A     I   206_A      3    5   20      3    3    4    5    6    7   12   18   22   24   29   33   38   42   53   60   67   73   82   88 
LCS_GDT     K   207_A     K   207_A      3    5   20      3    3    3    4    6    8   12   18   22   25   29   33   38   43   53   60   67   73   80   88 
LCS_AVERAGE  LCS_A:   9.79  (   2.76    4.62   21.99 )

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     11     15     16     18     25     32     36     41     46     52     59     66     73     80     84     88     93     99    106    110 
GDT PERCENT_AT   5.31   7.25   7.73   8.70  12.08  15.46  17.39  19.81  22.22  25.12  28.50  31.88  35.27  38.65  40.58  42.51  44.93  47.83  51.21  53.14
GDT RMS_LOCAL    0.36   0.52   0.64   0.88   1.86   2.15   2.31   2.73   2.95   3.30   3.72   4.12   4.50   4.85   4.98   5.19   5.51   6.15   6.34   6.56
GDT RMS_ALL_AT  18.52  18.52  18.73  18.66  15.32  15.52  15.48  15.17  15.13  14.92  14.77  14.57  14.39  14.30  14.29  14.21  14.59  14.25  14.28  14.28

# Checking swapping
#   possible swapping detected:  F     5_A      F     5_A
#   possible swapping detected:  D    20_A      D    20_A
#   possible swapping detected:  E    29_A      E    29_A
#   possible swapping detected:  D    38_A      D    38_A
#   possible swapping detected:  F    45_A      F    45_A
#   possible swapping detected:  D    46_A      D    46_A
#   possible swapping detected:  E    57_A      E    57_A
#   possible swapping detected:  E    63_A      E    63_A
#   possible swapping detected:  D    66_A      D    66_A
#   possible swapping detected:  Y    74_A      Y    74_A
#   possible swapping detected:  E    80_A      E    80_A
#   possible swapping detected:  Y    83_A      Y    83_A
#   possible swapping detected:  Y   105_A      Y   105_A
#   possible swapping detected:  Y   106_A      Y   106_A
#   possible swapping detected:  Y   120_A      Y   120_A
#   possible swapping detected:  Y   123_A      Y   123_A
#   possible swapping detected:  E   129_A      E   129_A
#   possible swapping detected:  D   133_A      D   133_A
#   possible swapping detected:  Y   139_A      Y   139_A
#   possible swapping detected:  D   155_A      D   155_A
#   possible swapping detected:  Y   157_A      Y   157_A
#   possible swapping detected:  D   162_A      D   162_A
#   possible swapping detected:  E   164_A      E   164_A
#   possible swapping detected:  E   168_A      E   168_A
#   possible swapping detected:  Y   169_A      Y   169_A
#   possible swapping detected:  E   178_A      E   178_A
#   possible swapping detected:  Y   192_A      Y   192_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     1_A      G     1_A    43.498     0    0.354   0.354    44.160    0.000    0.000
LGA    I     2_A      I     2_A    38.629     0    0.594   1.330    43.126    0.000    0.000
LGA    D     3_A      D     3_A    32.312     0    0.308   1.162    34.860    0.000    0.000
LGA    P     4_A      P     4_A    27.209     0    0.305   0.387    28.451    0.000    0.000
LGA    F     5_A      F     5_A    28.792     0    0.161   0.929    32.541    0.000    0.000
LGA    T     6_A      T     6_A    30.975     0    0.695   0.639    32.519    0.000    0.000
LGA    W     7_A      W     7_A    29.053     0    0.744   1.684    29.810    0.000    0.000
LGA    G     8_A      G     8_A    22.624     0    0.440   0.440    24.827    0.000    0.000
LGA    F     9_A      F     9_A    24.262     0    0.355   1.440    32.271    0.000    0.000
LGA    G    10_A      G    10_A    21.304     0    0.702   0.702    21.997    0.000    0.000
LGA    G    11_A      G    11_A    17.344     0    0.479   0.479    18.555    0.000    0.000
LGA    S    12_A      S    12_A    16.148     0    0.361   0.718    16.679    0.000    0.000
LGA    S    13_A      S    13_A    14.854     0    0.634   0.863    17.572    0.000    0.000
LGA    K    14_A      K    14_A     9.796     0    0.059   0.857    11.927    0.476    0.212
LGA    E    15_A      E    15_A     6.044     0    0.171   1.154     6.749   17.262   20.847
LGA    K    16_A      K    16_A     8.646     0    0.329   1.429    14.763    3.929    1.746
LGA    P    17_A      P    17_A     8.341     0    0.325   0.494    11.705    2.024    1.701
LGA    N    18_A      N    18_A    10.896     0    0.394   1.139    16.310    0.357    0.179
LGA    Y    19_A      Y    19_A     7.903     0    0.225   0.886    10.633    2.976   10.754
LGA    D    20_A      D    20_A    12.284     0    0.420   1.311    17.722    0.714    0.357
LGA    Y    21_A      Y    21_A    10.898     0    0.060   1.396    15.996    0.119    0.040
LGA    S    22_A      S    22_A    10.779     0    0.225   0.635    12.466    1.071    0.714
LGA    A    23_A      A    23_A     7.777     0    0.108   0.121     8.328    9.762    9.810
LGA    D    24_A      D    24_A     4.037     0    0.602   0.667     5.592   32.976   28.393
LGA    K    25_A      K    25_A     4.932     0    0.278   0.679     8.650   30.238   21.429
LGA    K    26_A      K    26_A     5.262     0    0.065   0.873     6.436   22.738   30.106
LGA    L    27_A      L    27_A     6.637     0    0.283   0.532     8.851   11.905   11.905
LGA    I    28_A      I    28_A     6.683     0    0.526   0.995     7.710   11.786   12.679
LGA    E    29_A      E    29_A     7.347     0    0.572   0.588     7.527   10.833   10.423
LGA    I    30_A      I    30_A     8.031     0    0.385   1.430    11.960    6.905    5.000
LGA    N    31_A      N    31_A     5.657     0    0.486   1.429     8.632   32.500   24.226
LGA    T    32_A      T    32_A     2.674     0    0.226   1.325     5.283   57.500   48.095
LGA    R    33_A      R    33_A     3.235     0    0.272   1.325    13.179   53.810   22.208
LGA    P    34_A      P    34_A     2.073     0    0.212   0.369     3.892   57.500   57.347
LGA    I    35_A      I    35_A     2.819     0    0.216   0.579     6.085   59.167   51.369
LGA    S    36_A      S    36_A     6.284     0    0.131   0.158    10.219   13.690    9.603
LGA    T    37_A      T    37_A     7.007     0    0.376   0.870     8.852   10.357   14.354
LGA    D    38_A      D    38_A     7.757     0    0.171   0.752     9.937    7.262    4.643
LGA    N    39_A      N    39_A     7.087     0    0.532   1.135    10.709   11.786    7.143
LGA    A    40_A      A    40_A     6.838     0    0.650   0.616     7.111   15.476   15.048
LGA    K    41_A      K    41_A     4.781     0    0.569   0.862     9.771   20.357   18.519
LGA    Y    42_A      Y    42_A    10.073     0    0.599   1.382    20.469    2.143    0.714
LGA    W    43_A      W    43_A     6.848     0    0.302   1.578    13.273   10.833    8.095
LGA    C    44_A      C    44_A     8.160     0    0.611   0.854    12.095    3.690    5.873
LGA    F    45_A      F    45_A    14.496     0    0.518   0.654    17.428    0.000    0.000
LGA    D    46_A      D    46_A    20.985     0    0.592   1.448    23.044    0.000    0.000
LGA    K    47_A      K    47_A    22.647     0    0.579   1.137    31.454    0.000    0.000
LGA    G    48_A      G    48_A    17.669     0    0.400   0.400    19.074    0.000    0.000
LGA    N    49_A      N    49_A    14.912     0    0.170   1.165    15.382    0.000    0.000
LGA    D    50_A      D    50_A    12.520     0    0.637   0.826    14.674    0.357    0.179
LGA    L    51_A      L    51_A    12.307     0    0.640   1.435    16.789    0.357    0.179
LGA    G    52_A      G    52_A     9.547     0    0.565   0.565    11.006    1.190    1.190
LGA    C    53_A      C    53_A     8.443     0    0.483   0.648     9.090    5.357    4.603
LGA    L    54_A      L    54_A     7.848     0    0.598   1.432    10.723   12.857    7.083
LGA    S    55_A      S    55_A     5.233     0    0.678   0.631     7.034   19.524   17.540
LGA    L    56_A      L    56_A     7.517     0    0.138   0.664    11.274    6.190    5.417
LGA    E    57_A      E    57_A    12.387     0    0.296   1.004    19.077    0.000    0.000
LGA    K    58_A      K    58_A    10.943     0    0.309   0.604    11.390    0.000    0.423
LGA    L    59_A      L    59_A     9.787     0    0.314   0.977    12.847    0.238    6.905
LGA    E    60_A      E    60_A    15.266     0    0.113   0.634    18.184    0.000    0.000
LGA    A    61_A      A    61_A    18.938     0    0.262   0.287    20.011    0.000    0.000
LGA    L    62_A      L    62_A    15.326     0    0.375   1.049    16.665    0.000    0.000
LGA    E    63_A      E    63_A    17.002     0    0.278   1.289    20.174    0.000    0.000
LGA    S    64_A      S    64_A    23.801     0    0.624   0.523    25.917    0.000    0.000
LGA    K    65_A      K    65_A    25.843     0    0.140   0.668    29.915    0.000    0.000
LGA    D    66_A      D    66_A    29.053     0    0.398   1.258    33.450    0.000    0.000
LGA    L    67_A      L    67_A    27.561     0    0.244   1.037    28.560    0.000    0.000
LGA    K    68_A      K    68_A    31.126     0    1.030   1.533    36.692    0.000    0.000
LGA    K    69_A      K    69_A    27.527     0    0.155   1.029    30.089    0.000    0.000
LGA    V    70_A      V    70_A    20.738     0    0.357   0.537    22.998    0.000    0.000
LGA    V    71_A      V    71_A    24.323     0    0.232   0.368    26.810    0.000    0.000
LGA    K    72_A      K    72_A    27.199     0    0.168   0.868    34.795    0.000    0.000
LGA    F    73_A      F    73_A    22.632     0    0.221   1.582    24.326    0.000    0.000
LGA    Y    74_A      Y    74_A    19.061     0    0.136   0.710    20.813    0.000    0.000
LGA    E    75_A      E    75_A    25.393     0    0.054   0.745    32.235    0.000    0.000
LGA    K    76_A      K    76_A    25.096     0    0.162   1.236    32.867    0.000    0.000
LGA    T    77_A      T    77_A    18.576     0    0.027   0.930    20.753    0.000    0.000
LGA    I    78_A      I    78_A    14.862     0    0.288   0.686    16.422    0.000    0.357
LGA    P    79_A      P    79_A    16.354     0    0.617   0.557    17.285    0.000    0.000
LGA    E    80_A      E    80_A    16.715     0    0.134   1.219    21.447    0.000    0.000
LGA    Y    81_A      Y    81_A    11.657     0    0.393   1.396    12.759    0.000    1.071
LGA    C    82_A      C    82_A     9.383     0    0.182   0.343    10.004    1.190    1.746
LGA    Y    83_A      Y    83_A    11.452     0    0.529   1.230    20.403    0.000    0.000
LGA    D    84_A      D    84_A    11.018     0    0.561   0.833    15.071    0.833    0.417
LGA    K    85_A      K    85_A     4.581     0    0.278   1.282    10.461   29.762   24.074
LGA    K    86_A      K    86_A     6.711     0    0.449   0.522    11.153   15.714    8.677
LGA    F    87_A      F    87_A     4.632     0    0.538   1.488     7.008   42.500   29.610
LGA    A    88_A      A    88_A     2.761     0    0.688   0.630     3.682   48.452   47.429
LGA    P    89_A      P    89_A     6.496     0    0.436   0.625     9.147   14.881   11.565
LGA    A    90_A      A    90_A     5.936     0    0.242   0.249     6.346   29.048   26.667
LGA    C    91_A      C    91_A     0.746     0    0.483   0.956     4.601   62.976   58.968
LGA    N    92_A      N    92_A     6.099     0    0.645   1.200    11.600   29.524   15.238
LGA    I    93_A      I    93_A     1.799     0    0.505   1.020     5.550   63.214   54.881
LGA    P    94_A      P    94_A     4.186     0    0.529   0.813     5.855   42.619   39.320
LGA    A    95_A      A    95_A     6.212     0    0.087   0.101     7.265   22.738   20.190
LGA    I    96_A      I    96_A     4.109     0    0.049   0.412     5.230   42.143   39.107
LGA    D    97_A      D    97_A     2.012     0    0.035   0.404     3.899   55.714   59.583
LGA    L    98_A      L    98_A     5.820     0    0.235   1.309    11.750   23.333   12.798
LGA    I    99_A      I    99_A     6.564     0    0.075   0.571    12.246   23.095   11.905
LGA    Q   100_A      Q   100_A     4.732     0    0.183   1.300     7.367   39.048   25.291
LGA    Q   101_A      Q   101_A     2.554     0    0.139   0.760     7.596   69.405   45.291
LGA    K   102_A      K   102_A     2.495     0    0.130   0.692     9.802   71.190   39.788
LGA    L   103_A      L   103_A     3.491     0    0.133   0.829     9.231   59.405   35.060
LGA    S   104_A      S   104_A     2.427     0    0.081   0.724     6.170   66.786   55.714
LGA    Y   105_A      Y   105_A     1.653     0    0.217   0.471     3.243   69.286   69.048
LGA    Y   106_A      Y   106_A     1.349     0    0.033   0.259     3.994   81.548   61.270
LGA    V   107_A      V   107_A     0.451     0    0.318   0.801     2.785   92.976   82.381
LGA    R   108_A      R   108_A     4.064     0    0.067   1.103    12.175   40.714   17.186
LGA    N   109_A      N   109_A     5.203     0    0.321   0.995    11.546   27.976   15.714
LGA    D   110_A      D   110_A     3.433     0    0.466   1.315     7.088   35.833   36.667
LGA    I   111_A      I   111_A     8.190     0    0.302   0.301    11.427    6.905    3.810
LGA    D   112_A      D   112_A    12.014     0    0.113   1.224    16.972    0.000    0.000
LGA    N   113_A      N   113_A     9.263     0    0.551   0.789     9.982    0.952    1.845
LGA    K   114_A      K   114_A     8.874     0    0.575   0.789    14.035    6.190    2.751
LGA    T   115_A      T   115_A     3.055     0    0.615   0.678     4.538   58.929   59.524
LGA    I   116_A      I   116_A     0.757     0    0.164   0.732     2.664   83.810   78.631
LGA    K   117_A      K   117_A     2.367     0    0.133   1.001     4.936   61.190   55.344
LGA    T   118_A      T   118_A     3.381     0    0.340   0.792     6.224   65.833   48.435
LGA    F   119_A      F   119_A     1.160     0    0.258   1.644     6.873   69.286   47.879
LGA    Y   120_A      Y   120_A     4.859     0    0.198   1.153    15.392   36.786   13.254
LGA    S   121_A      S   121_A     2.577     0    0.379   0.851     3.991   60.238   55.714
LGA    D   122_A      D   122_A     3.914     0    0.130   0.701     8.559   49.405   29.702
LGA    Y   123_A      Y   123_A     1.190     0    0.238   1.207     5.605   65.595   54.444
LGA    A   124_A      A   124_A     4.538     0    0.435   0.449     6.564   45.714   39.238
LGA    K   125_A      K   125_A     1.017     0    0.187   0.587     5.821   67.738   55.238
LGA    A   126_A      A   126_A     2.465     0    0.257   0.319     3.697   73.095   67.143
LGA    L   127_A      L   127_A     2.286     0    0.090   1.365     5.665   51.190   54.405
LGA    S   128_A      S   128_A     7.261     0    0.315   0.582    10.115   15.119   10.317
LGA    E   129_A      E   129_A     3.154     0    0.180   0.828     6.494   54.286   39.841
LGA    S   130_A      S   130_A     2.838     0    0.312   0.776     4.029   57.262   52.698
LGA    K   131_A      K   131_A     2.026     0    0.075   0.937     4.433   64.762   60.847
LGA    A   132_A      A   132_A     2.628     0    0.224   0.227     3.065   57.262   57.238
LGA    D   133_A      D   133_A     3.164     0    0.136   0.745     5.773   55.357   44.345
LGA    V   134_A      V   134_A     2.330     0    0.038   1.295     5.269   68.810   60.476
LGA    K   135_A      K   135_A     1.028     0    0.050   0.990     4.763   79.286   74.286
LGA    M   136_A      M   136_A     1.374     0    0.073   1.304     5.419   75.476   67.619
LGA    L   137_A      L   137_A     3.081     0    0.064   1.223     5.934   44.524   40.417
LGA    E   138_A      E   138_A     4.603     0    0.093   1.128     6.984   27.381   46.138
LGA    Y   139_A      Y   139_A     6.537     0    0.204   1.383     9.514   11.786   14.722
LGA    G   140_A      G   140_A     7.286     0    0.218   0.218     8.662    9.048    9.048
LGA    C   141_A      C   141_A     6.783     0    0.369   0.785    10.369    8.333    8.016
LGA    N   142_A      N   142_A    10.332     0    0.082   1.302    12.462    0.714    4.048
LGA    E   143_A      E   143_A    10.531     0    0.216   0.540    13.378    0.000    0.000
LGA    L   144_A      L   144_A    10.020     0    0.300   0.839    12.265    0.833    0.417
LGA    K   145_A      K   145_A    10.004     0    0.531   1.390    19.014    5.119    2.275
LGA    S   146_A      S   146_A     7.453     0    0.509   0.944     9.307   16.905   11.984
LGA    A   147_A      A   147_A     6.042     0    0.294   0.340     7.504   28.929   24.571
LGA    Y   148_A      Y   148_A     4.302     0    0.184   0.741    12.686   39.167   16.349
LGA    I   149_A      I   149_A     8.073     0    0.138   1.155    10.829    5.595    3.214
LGA    C   150_A      C   150_A    12.132     0    0.285   0.986    13.658    0.000    0.000
LGA    R   151_A      R   151_A    10.067     0    0.134   1.637    12.133    0.000    7.922
LGA    D   152_A      D   152_A    13.881     0    0.096   0.558    15.626    0.000    0.000
LGA    L   153_A      L   153_A    15.357     0    0.079   1.233    17.026    0.000    0.000
LGA    R   154_A      R   154_A    14.590     0    0.093   0.948    15.854    0.000    0.000
LGA    D   155_A      D   155_A    15.441     0    0.049   0.777    17.039    0.000    0.000
LGA    M   156_A      M   156_A    16.817     0    0.090   1.214    19.406    0.000    0.000
LGA    Y   157_A      Y   157_A    18.059     0    0.045   0.717    19.033    0.000    0.000
LGA    K   158_A      K   158_A    18.820     0    0.089   0.857    20.112    0.000    0.000
LGA    Y   159_A      Y   159_A    18.578     0    0.069   1.396    19.366    0.000    0.000
LGA    L   160_A      L   160_A    19.485     0    0.142   0.274    21.504    0.000    0.000
LGA    G   161_A      G   161_A    21.667     0    0.050   0.050    23.919    0.000    0.000
LGA    D   162_A      D   162_A    23.083     0    0.059   0.472    27.153    0.000    0.000
LGA    K   163_A      K   163_A    21.309     0    0.071   0.461    23.530    0.000    0.000
LGA    E   164_A      E   164_A    22.952     0    0.027   0.569    30.244    0.000    0.000
LGA    K   165_A      K   165_A    21.570     0    0.019   1.097    24.044    0.000    0.000
LGA    T   166_A      T   166_A    17.054     0    0.051   1.046    18.826    0.000    0.000
LGA    K   167_A      K   167_A    17.014     0    0.038   1.214    21.838    0.000    0.000
LGA    E   168_A      E   168_A    19.525     0    0.017   0.937    25.279    0.000    0.000
LGA    Y   169_A      Y   169_A    16.081     0    0.093   1.216    24.184    0.000    0.000
LGA    N   170_A      N   170_A    12.203     0    0.039   0.173    13.629    0.000    0.417
LGA    D   171_A      D   171_A    15.424     0    0.094   0.792    17.173    0.000    0.000
LGA    K   172_A      K   172_A    16.863     0    0.031   0.767    22.273    0.000    0.000
LGA    M   173_A      M   173_A    12.463     0    0.232   1.186    13.849    0.000    2.143
LGA    K   174_A      K   174_A    13.232     0    0.097   1.052    14.616    0.000    3.016
LGA    N   175_A      N   175_A    17.204     0    0.313   1.153    20.528    0.000    0.000
LGA    G   176_A      G   176_A    15.309     0    0.661   0.661    16.985    0.000    0.000
LGA    D   177_A      D   177_A    20.992     0    0.265   1.204    26.245    0.000    0.000
LGA    E   178_A      E   178_A    20.882     0    0.155   0.954    22.292    0.000    0.000
LGA    K   179_A      K   179_A    25.397     0    0.260   1.187    30.958    0.000    0.000
LGA    W   180_A      W   180_A    22.275     0    0.185   1.357    23.007    0.000    0.000
LGA    N   181_A      N   181_A    23.972     0    0.242   0.971    27.527    0.000    0.000
LGA    S   182_A      S   182_A    21.690     0    0.537   0.754    24.723    0.000    0.000
LGA    V   183_A      V   183_A    17.882     0    0.281   1.403    19.661    0.000    0.000
LGA    L   184_A      L   184_A    20.174     0    0.134   0.831    27.335    0.000    0.000
LGA    Y   185_A      Y   185_A    17.357     0    0.128   1.312    25.446    0.000    0.000
LGA    D   186_A      D   186_A    11.386     0    0.326   0.479    13.556    0.000    0.357
LGA    Y   187_A      Y   187_A    11.366     0    0.252   0.759    11.366    0.000    9.881
LGA    K   188_A      K   188_A    12.169     0    0.095   1.214    15.871    0.000    0.000
LGA    H   189_A      H   189_A    17.495     0    0.585   0.675    25.842    0.000    0.000
LGA    M   190_A      M   190_A    15.755     0    0.175   1.121    16.570    0.000    0.000
LGA    R   191_A      R   191_A    16.559     0    0.240   1.408    21.912    0.000    0.000
LGA    Y   192_A      Y   192_A    18.298     0    0.576   1.557    19.032    0.000    0.000
LGA    I   193_A      I   193_A    18.279     0    0.339   1.002    18.739    0.000    0.000
LGA    H   194_A      H   194_A    18.085     0    0.231   1.194    22.758    0.000    0.000
LGA    G   195_A      G   195_A    15.100     0    0.494   0.494    16.604    0.000    0.000
LGA    G   196_A      G   196_A    11.953     0    0.175   0.175    14.253    0.000    0.000
LGA    Y   197_A      Y   197_A    18.644     0    0.430   1.223    21.413    0.000    0.000
LGA    S   198_A      S   198_A    20.759     0    0.658   0.899    20.935    0.000    0.000
LGA    S   199_A      S   199_A    21.001     0    0.270   0.672    21.343    0.000    0.000
LGA    W   200_A      W   200_A    19.098     0    0.386   1.183    19.379    0.000    0.000
LGA    W   201_A      W   201_A    16.479     0    0.222   0.927    17.615    0.000    0.000
LGA    L   202_A      L   202_A    16.615     0    0.226   0.731    21.231    0.000    0.000
LGA    L   203_A      L   203_A    19.902     0    0.510   1.215    24.952    0.000    0.000
LGA    E   204_A      E   204_A    19.209     0    0.478   0.563    20.187    0.000    0.000
LGA    K   205_A      K   205_A    23.563     0    0.211   0.685    27.664    0.000    0.000
LGA    I   206_A      I   206_A    29.999     0    0.510   0.632    32.874    0.000    0.000
LGA    K   207_A      K   207_A    31.429     0    0.187   1.000    34.120    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):    13.152         13.078                 13.858           15.937   13.449

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  207  207    4.0     41    2.73    19.565    16.081     1.450

LGA_LOCAL      RMSD:   2.727  Number of atoms:   41  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  15.166  Number of assigned atoms:  207 
Std_ASGN_ATOMS RMSD:  13.152  Standard rmsd on all 207 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.028265 * X  +  -0.740053 * Y  +  -0.671954 * Z  + -29.912079
  Y_new =   0.176511 * X  +  -0.657964 * Y  +   0.732070 * Z  + -12.392373
  Z_new =  -0.983893 * X  +  -0.139299 * Y  +   0.112030 * Z  +  -5.356607 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.412015  1.391070 -0.893473   [DEG:   80.9025   79.7025  -51.1922 ]
ZXZ: -2.398985  1.458530 -1.711441   [DEG: -137.4517   83.5676  -98.0583 ]
 
# END of job
