
#######################################################
#                                                     #
#                        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  214 ( 1657),  selected  207 , name one
# Molecule2: number of CA atoms  207 ( 1517),  selected  207 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    82      30_B - 111_B       5.00    20.17
  LONGEST_CONTINUOUS_SEGMENT:    82      31_B - 112_B       4.91    20.08
  LONGEST_CONTINUOUS_SEGMENT:    82      32_B - 113_B       4.99    19.98
  LCS_AVERAGE:     34.33

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    58      55_B - 112_B       1.89    20.09
  LONGEST_CONTINUOUS_SEGMENT:    58      56_B - 113_B       1.81    20.02
  LONGEST_CONTINUOUS_SEGMENT:    58      57_B - 114_B       1.95    19.92
  LCS_AVERAGE:     20.09

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    50      61_B - 110_B       0.99    20.02
  LONGEST_CONTINUOUS_SEGMENT:    50      62_B - 111_B       0.97    20.00
  LCS_AVERAGE:     13.42

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     P     4_B     P     4_B      4   13   31      3    5    7    9   13   16   19   26   31   40   57   66   74   79   82   85   88   93  104  109 
LCS_GDT     D     5_B     D     5_B      5   13   31      3    5    7    9   14   17   21   30   34   53   63   69   75   79   82   85   88   99  104  109 
LCS_GDT     F     6_B     F     6_B      5   14   31      4    5    7    9   14   17   27   30   39   55   63   69   75   79   82   86   94   99  104  109 
LCS_GDT     T     7_B     T     7_B      5   14   31      4    5    7    9   14   17   27   30   36   54   63   69   75   79   82   85   94   99  104  109 
LCS_GDT     G     8_B     G     8_B      9   14   31      9   10   11   11   13   17   20   27   34   40   53   66   73   79   82   85   88   90   96  100 
LCS_GDT     A     9_B     A     9_B      9   14   31      9   10   11   11   14   17   27   30   34   47   63   69   75   79   82   85   88   90   96  109 
LCS_GDT     R    10_B     R    10_B      9   14   31      9   10   11   11   14   17   27   30   36   53   63   69   75   79   82   85   88   91   97  109 
LCS_GDT     E    11_B     E    11_B      9   14   31      9   10   11   11   14   17   27   30   38   54   63   69   75   79   82   85   88   90   96  100 
LCS_GDT     R    12_B     R    12_B      9   14   31      9   10   11   11   14   17   27   32   47   55   63   69   75   79   82   85   88   93  102  109 
LCS_GDT     F    13_B     F    13_B      9   14   31      9   10   11   11   13   17   28   45   52   55   63   69   75   79   82   85   91   99  104  109 
LCS_GDT     L    14_B     L    14_B      9   14   31      9   10   11   11   13   15   27   39   51   55   63   69   75   79   82   85   88   96  104  109 
LCS_GDT     A    15_B     A    15_B      9   14   31      9   10   11   11   13   17   28   45   52   55   63   69   75   79   82   85   88   93  102  109 
LCS_GDT     G    16_B     G    16_B      9   14   31      9   10   11   11   13   16   39   47   52   55   63   69   75   79   82   85   94   99  104  109 
LCS_GDT     D    17_B     D    17_B      4   14   31      3    4    4    8   12   13   16   26   32   52   61   69   75   79   82   86   94   99  104  109 
LCS_GDT     V    18_B     V    18_B      4   14   31      3   10   11   11   13   16   36   47   52   55   63   69   75   79   82   86   94   99  104  109 
LCS_GDT     T    19_B     T    19_B      4   14   31      3    9   11   11   13   16   20   26   31   47   57   66   73   79   82   86   94   99  104  109 
LCS_GDT     I    20_B     I    20_B      3   14   31      3    3    3   11   12   14   18   20   31   39   54   63   73   79   82   85   91   99  104  109 
LCS_GDT     V    21_B     V    21_B      3   14   31      3    3    3    7    8   17   20   27   31   40   53   66   74   79   82   85   88   93  102  109 
LCS_GDT     L    22_B     L    22_B      3    3   31      3    3    4    8   14   17   20   23   39   54   63   69   75   79   82   85   88   93  102  109 
LCS_GDT     L    23_B     L    23_B      3    4   31      3    3    4    7   14   17   20   27   31   36   46   66   73   79   82   85   88   90   93   95 
LCS_GDT     I    24_B     I    24_B      3    4   31      3    3    4    4    8   17   20   23   27   32   44   50   68   79   82   85   88   90   93   95 
LCS_GDT     A    25_B     A    25_B      5    9   31      5    5    5    7   10   12   14   15   16   17   21   24   44   48   70   78   86   89   93   95 
LCS_GDT     E    26_B     E    26_B      6    9   31      5    5    6    9   11   12   14   15   27   30   35   48   54   74   82   83   87   89   93   95 
LCS_GDT     S    27_B     S    27_B      6    9   49      5    5    6    9   11   12   14   15   16   17   30   32   41   46   53   57   74   88   91   94 
LCS_GDT     H    28_B     H    28_B      6    9   76      5    5    6    9   10   12   14   18   20   22   44   46   51   63   79   83   86   89   93   95 
LCS_GDT     D    29_B     D    29_B      6   10   79      5    5    6    9   11   15   27   29   34   43   63   69   75   79   82   85   88   96  103  109 
LCS_GDT     A    30_B     A    30_B      6   10   82      4    4    6    9   11   12   15   29   34   40   48   69   75   79   82   85   89   99  104  109 
LCS_GDT     P    31_B     P    31_B      6   10   82      4    5    6    9   15   22   34   45   52   55   63   69   75   79   82   89   95   99  104  109 
LCS_GDT     Y    32_B     Y    32_B      6   10   82      4    4    6    9   15   21   41   47   52   55   63   69   75   79   82   86   92   99  104  109 
LCS_GDT     R    33_B     R    33_B      4   10   82      3    3    4   28   32   36   42   47   52   55   63   69   75   79   83   90   95   99  104  109 
LCS_GDT     L    34_B     L    34_B      5   10   82      4    5    7    8   11   12   21   29   44   47   50   57   61   68   78   85   94   99  104  109 
LCS_GDT     A    35_B     A    35_B      5   10   82      4    5    6    8   11   12   14   15   15   18   33   38   43   48   53   60   76   82   85   96 
LCS_GDT     N    36_B     N    36_B      5   10   82      4    5    6    9   11   12   14   23   28   43   49   73   80   83   86   91   95   99  103  109 
LCS_GDT     P    37_B     P    37_B      6   32   82      4   18   23   28   32   36   42   47   53   62   72   76   80   85   88   92   98  101  104  109 
LCS_GDT     E    38_B     E    38_B      6   32   82      4    9   18   24   30   37   44   48   56   62   71   76   80   85   88   92   95   99  104  109 
LCS_GDT     D    39_B     D    39_B      6   32   82      4    7   16   24   30   37   44   53   58   67   72   76   80   85   88   92   98  101  104  109 
LCS_GDT     P    40_B     P    40_B      6   32   82      4    6    7    9   12   29   42   50   58   67   72   76   80   85   88   92   98  101  104  109 
LCS_GDT     E    41_B     E    41_B      6   32   82      4    6    7   10   15   32   42   50   59   67   72   76   80   85   88   92   98  101  104  109 
LCS_GDT     A    42_B     A    42_B     20   32   82      5   15   23   26   32   36   42   47   55   62   72   76   80   85   88   92   98  101  104  109 
LCS_GDT     D    43_B     D    43_B     22   32   82      3   10   19   28   32   36   41   47   52   55   63   69   75   79   82   86   95   99  104  109 
LCS_GDT     L    44_B     L    44_B     22   32   82      7   18   23   28   32   36   42   47   52   55   63   69   75   80   88   92   98  101  104  109 
LCS_GDT     S    45_B     S    45_B     22   32   82      3   15   21   28   32   36   42   47   52   55   63   69   75   79   82   89   95  101  104  109 
LCS_GDT     D    46_B     D    46_B     22   32   82     10   18   23   28   32   36   42   47   52   55   63   69   75   79   88   92   98  101  104  109 
LCS_GDT     E    47_B     E    47_B     22   32   82     10   18   23   28   32   36   42   47   52   55   62   69   75   79   82   90   95  101  104  109 
LCS_GDT     Q    48_B     Q    48_B     22   32   82     10   18   23   28   32   36   42   47   52   55   63   69   75   82   88   92   98  101  104  109 
LCS_GDT     L    49_B     L    49_B     22   32   82     10   18   23   28   32   36   42   47   52   56   69   76   80   85   88   92   98  101  104  109 
LCS_GDT     E    50_B     E    50_B     22   32   82     10   18   23   28   32   36   42   47   52   59   69   76   80   85   88   92   98  101  104  109 
LCS_GDT     R    51_B     R    51_B     22   32   82     10   18   23   28   32   36   42   47   52   59   69   75   80   85   88   92   98  101  104  109 
LCS_GDT     A    52_B     A    52_B     22   32   82     10   18   23   28   32   36   42   47   53   62   72   76   80   85   88   92   98  101  104  109 
LCS_GDT     L    53_B     L    53_B     22   49   82     10   18   23   28   32   37   45   53   59   67   72   76   80   85   88   92   98  101  104  109 
LCS_GDT     A    54_B     A    54_B     22   54   82     10   18   23   28   32   37   45   52   58   67   72   76   80   85   88   92   98  101  104  109 
LCS_GDT     A    55_B     A    55_B     22   58   82      8   18   23   28   32   40   45   52   58   67   72   76   80   85   88   92   98  101  104  109 
LCS_GDT     Y    56_B     Y    56_B     22   58   82     10   17   23   30   42   50   56   58   62   67   72   76   80   85   88   92   98  101  104  109 
LCS_GDT     L    57_B     L    57_B     22   58   82      8   18   23   39   50   54   57   58   62   67   72   76   80   85   88   92   98  101  104  109 
LCS_GDT     T    58_B     T    58_B     23   58   82      8   18   23   39   47   54   56   58   62   67   72   76   80   85   88   92   98  101  104  109 
LCS_GDT     L    59_B     L    59_B     29   58   82      7   18   27   39   46   52   56   58   62   67   72   76   80   85   88   92   98  101  104  109 
LCS_GDT     V    60_B     V    60_B     46   58   82      7   21   39   47   52   54   57   58   62   67   72   76   80   85   88   92   98  101  104  109 
LCS_GDT     E    61_B     E    61_B     50   58   82     14   24   44   49   52   54   57   58   62   67   72   76   80   85   88   92   98  101  104  109 
LCS_GDT     T    62_B     T    62_B     50   58   82      9   27   40   48   52   54   57   58   62   67   72   76   80   85   88   92   98  101  104  109 
LCS_GDT     L    63_B     L    63_B     50   58   82      8   21   39   44   52   54   57   58   62   67   72   76   80   85   88   92   98  101  104  109 
LCS_GDT     F    64_B     F    64_B     50   58   82      9   31   46   49   52   54   57   58   62   67   72   76   80   85   88   92   98  101  104  109 
LCS_GDT     P    65_B     P    65_B     50   58   82     20   39   47   49   52   54   57   58   62   67   72   76   80   85   88   92   98  101  104  109 
LCS_GDT     E    66_B     E    66_B     50   58   82      9   36   47   49   52   54   57   58   62   67   72   76   80   85   88   92   98  101  104  109 
LCS_GDT     L    67_B     L    67_B     50   58   82     14   36   47   49   52   54   57   58   62   67   72   76   80   85   88   92   98  101  104  109 
LCS_GDT     Y    68_B     Y    68_B     50   58   82     14   38   47   49   52   54   57   58   62   67   72   76   80   85   88   92   98  101  104  109 
LCS_GDT     A    69_B     A    69_B     50   58   82     14   39   47   49   52   54   57   58   62   67   72   76   80   85   88   92   98  101  104  109 
LCS_GDT     E    70_B     E    70_B     50   58   82     21   39   47   49   52   54   57   58   62   67   72   76   80   85   88   92   98  101  104  109 
LCS_GDT     M    71_B     M    71_B     50   58   82     15   39   47   49   52   54   57   58   62   67   72   76   80   85   88   92   98  101  104  109 
LCS_GDT     K    72_B     K    72_B     50   58   82     14   39   47   49   52   54   57   58   62   67   72   76   80   85   88   92   98  101  104  109 
LCS_GDT     A    73_B     A    73_B     50   58   82     18   39   47   49   52   54   57   58   62   67   72   76   80   85   88   92   98  101  104  109 
LCS_GDT     A    74_B     A    74_B     50   58   82     15   39   47   49   52   54   57   58   62   67   72   76   80   85   88   92   98  101  104  109 
LCS_GDT     L    75_B     L    75_B     50   58   82     21   39   47   49   52   54   57   58   62   67   72   76   80   85   88   92   98  101  104  109 
LCS_GDT     A    76_B     A    76_B     50   58   82     14   39   47   49   52   54   57   58   62   67   72   76   80   85   88   92   98  101  104  109 
LCS_GDT     A    77_B     A    77_B     50   58   82     14   39   47   49   52   54   57   58   62   67   72   76   80   85   88   92   98  101  104  109 
LCS_GDT     A    78_B     A    78_B     50   58   82     21   39   47   49   52   54   57   58   62   67   72   76   80   85   88   92   98  101  104  109 
LCS_GDT     K    79_B     K    79_B     50   58   82     21   39   47   49   52   54   57   58   62   67   72   76   80   85   88   92   98  101  104  109 
LCS_GDT     T    80_B     T    80_B     50   58   82     14   39   47   49   52   54   57   58   62   67   72   75   80   85   88   92   98  101  104  109 
LCS_GDT     P    81_B     P    81_B     50   58   82     21   39   47   49   52   54   57   58   62   67   72   75   80   85   88   92   98  101  104  109 
LCS_GDT     E    82_B     E    82_B     50   58   82     21   39   47   49   52   54   57   58   62   67   72   76   80   85   88   92   98  101  104  109 
LCS_GDT     E    83_B     E    83_B     50   58   82     21   39   47   49   52   54   57   58   62   67   72   76   80   85   88   92   98  101  104  109 
LCS_GDT     K    84_B     K    84_B     50   58   82     21   39   47   49   52   54   57   58   62   67   72   76   80   85   88   92   98  101  104  109 
LCS_GDT     I    85_B     I    85_B     50   58   82     21   39   47   49   52   54   57   58   62   67   72   76   80   85   88   92   98  101  104  109 
LCS_GDT     A    86_B     A    86_B     50   58   82     21   39   47   49   52   54   57   58   62   67   72   76   80   85   88   92   98  101  104  109 
LCS_GDT     V    87_B     V    87_B     50   58   82     21   39   47   49   52   54   57   58   62   67   72   76   80   85   88   92   98  101  104  109 
LCS_GDT     F    88_B     F    88_B     50   58   82     21   39   47   49   52   54   57   58   62   67   72   76   80   85   88   92   98  101  104  109 
LCS_GDT     R    89_B     R    89_B     50   58   82     21   39   47   49   52   54   57   58   62   67   72   76   80   85   88   92   98  101  104  109 
LCS_GDT     E    90_B     E    90_B     50   58   82     21   39   47   49   52   54   57   58   62   67   72   76   80   85   88   92   98  101  104  109 
LCS_GDT     Y    91_B     Y    91_B     50   58   82     21   39   47   49   52   54   57   58   62   67   72   76   80   85   88   92   98  101  104  109 
LCS_GDT     N    92_B     N    92_B     50   58   82     21   39   47   49   52   54   57   58   62   67   72   76   80   85   88   92   98  101  104  109 
LCS_GDT     A    93_B     A    93_B     50   58   82     21   39   47   49   52   54   57   58   62   67   72   76   80   85   88   92   98  101  104  109 
LCS_GDT     R    94_B     R    94_B     50   58   82     18   39   47   49   52   54   57   58   62   67   72   76   80   85   88   92   98  101  104  109 
LCS_GDT     F    95_B     F    95_B     50   58   82     16   39   47   49   52   54   57   58   62   67   72   76   80   85   88   92   98  101  104  109 
LCS_GDT     L    96_B     L    96_B     50   58   82     16   39   47   49   52   54   57   58   62   67   72   76   80   85   88   92   98  101  104  109 
LCS_GDT     A    97_B     A    97_B     50   58   82     14   39   47   49   52   54   57   58   62   67   72   76   80   85   88   92   98  101  104  109 
LCS_GDT     E    98_B     E    98_B     50   58   82     12   38   47   49   52   54   57   58   62   67   72   76   80   85   88   92   98  101  104  109 
LCS_GDT     F    99_B     F    99_B     50   58   82     12   38   47   49   52   54   57   58   62   67   72   76   80   85   88   92   98  101  104  109 
LCS_GDT     D   100_B     D   100_B     50   58   82     12   36   47   49   52   54   57   58   62   67   72   76   80   85   88   92   98  101  104  109 
LCS_GDT     A   101_B     A   101_B     50   58   82      8   39   47   49   52   54   57   58   62   67   72   76   80   85   88   92   98  101  104  109 
LCS_GDT     L   102_B     L   102_B     50   58   82     17   39   47   49   52   54   57   58   62   67   72   76   80   85   88   92   98  101  104  109 
LCS_GDT     I   103_B     I   103_B     50   58   82     20   39   47   49   52   54   57   58   62   67   72   76   80   85   88   92   98  101  104  109 
LCS_GDT     D   104_B     D   104_B     50   58   82     16   39   47   49   52   54   57   58   62   67   72   76   80   85   88   92   98  101  104  109 
LCS_GDT     Q   105_B     Q   105_B     50   58   82     21   39   47   49   52   54   57   58   62   67   72   76   80   85   88   92   98  101  104  109 
LCS_GDT     A   106_B     A   106_B     50   58   82     21   39   47   49   52   54   57   58   62   67   72   76   80   85   88   92   98  101  104  109 
LCS_GDT     F   107_B     F   107_B     50   58   82     18   39   47   49   52   54   57   59   62   67   72   76   80   85   88   92   98  101  104  109 
LCS_GDT     A   108_B     A   108_B     50   58   82     21   39   47   49   52   54   57   58   62   67   72   76   80   85   88   92   98  101  104  109 
LCS_GDT     R   109_B     R   109_B     50   58   82     18   39   47   49   52   54   57   59   62   67   72   76   80   85   88   92   98  101  104  109 
LCS_GDT     L   110_B     L   110_B     50   58   82     21   39   47   49   52   54   57   59   62   67   72   76   80   85   88   92   98  101  104  109 
LCS_GDT     K   111_B     K   111_B     50   58   82     16   39   47   49   52   54   57   59   62   67   72   76   80   85   88   92   98  101  104  109 
LCS_GDT     A   112_B     A   112_B     49   58   82      4   18   40   48   51   54   57   59   62   67   72   76   80   85   88   92   98  101  104  109 
LCS_GDT     D   113_B     D   113_B      6   58   82      4   18   32   41   48   51   56   59   62   65   68   72   76   81   86   91   98  101  102  106 
LCS_GDT     S   114_B     S   114_B      8   58   80      3   12   22   32   41   50   56   59   62   65   67   70   76   78   86   91   98  101  102  106 
LCS_GDT     L   115_B     L   115_B     21   56   80      7   25   32   41   48   51   56   59   62   65   68   70   76   79   86   91   98  101  102  106 
LCS_GDT     T   116_B     T   116_B     21   53   80      7   25   34   41   48   51   56   59   62   65   68   70   71   74   81   88   92   96  101  104 
LCS_GDT     L   117_B     L   117_B     21   53   80      7   25   34   41   48   51   56   59   62   65   68   70   71   74   77   82   87   93  101  104 
LCS_GDT     K   118_B     K   118_B     21   53   80     10   20   31   40   48   51   56   59   62   65   68   70   71   74   77   82   85   90   96  100 
LCS_GDT     I   119_B     I   119_B     21   53   80     10   20   31   40   48   51   56   59   62   65   68   70   71   74   77   82   85   90   96  100 
LCS_GDT     H   120_B     H   120_B     21   53   80     10   20   31   39   48   51   56   59   62   65   68   70   71   74   77   82   85   90   96  100 
LCS_GDT     L   121_B     L   121_B     21   53   80     10   20   31   39   46   51   56   59   62   65   68   70   71   74   77   82   85   90   96  100 
LCS_GDT     S   122_B     S   122_B     21   53   80     10   20   28   37   43   47   54   58   62   64   68   70   71   74   77   82   85   90   96  100 
LCS_GDT     Q   123_B     Q   123_B     21   53   80     10   20   29   37   42   47   52   57   62   63   68   70   71   74   77   82   85   90   96  100 
LCS_GDT     G   124_B     G   124_B     21   53   80      4   20   27   37   42   47   52   58   62   65   68   70   71   74   77   82   85   90   96  100 
LCS_GDT     K   125_B     K   125_B     21   53   80      3    4   21   29   39   47   51   55   62   65   68   70   71   74   77   82   85   90   96  100 
LCS_GDT     G   126_B     G   126_B     29   53   80      5   20   31   40   48   51   56   59   62   65   68   70   71   74   77   82   85   90   96  100 
LCS_GDT     S   127_B     S   127_B     30   53   80      8   20   31   40   48   51   56   59   62   65   68   70   71   74   77   82   85   90   96  100 
LCS_GDT     Y   128_B     Y   128_B     33   53   80     10   25   33   41   48   51   56   59   62   65   68   70   71   74   77   82   85   90   96  100 
LCS_GDT     E   129_B     E   129_B     33   53   80      7   25   34   41   48   51   56   59   62   65   68   70   71   74   77   82   85   90   97  104 
LCS_GDT     I   130_B     I   130_B     33   53   80     11   25   34   41   48   51   56   59   62   65   68   70   71   77   84   90   98  101  102  106 
LCS_GDT     I   131_B     I   131_B     33   53   80      8   25   34   41   48   51   56   59   62   65   68   70   73   78   86   91   98  101  102  106 
LCS_GDT     F   132_B     F   132_B     33   53   80     10   25   34   41   48   51   56   59   62   66   72   75   80   85   88   92   98  101  104  109 
LCS_GDT     P   133_B     P   133_B     33   53   80      7   25   34   41   48   51   56   59   62   67   72   75   80   85   88   92   98  101  104  109 
LCS_GDT     P   134_B     P   134_B     33   53   80      6   25   34   41   48   51   57   59   62   67   72   76   80   85   88   92   98  101  104  109 
LCS_GDT     E   135_B     E   135_B     33   53   80      7   25   34   43   50   54   57   59   62   67   72   76   80   85   88   92   98  101  104  109 
LCS_GDT     V   136_B     V   136_B     33   53   80     10   25   34   41   48   52   57   59   62   67   72   76   80   85   88   92   98  101  104  109 
LCS_GDT     Q   137_B     Q   137_B     33   53   80      6   25   34   41   48   51   56   59   62   67   72   76   80   85   88   92   98  101  104  109 
LCS_GDT     A   138_B     A   138_B     33   53   80     10   25   34   41   48   51   56   59   62   67   72   76   80   85   88   92   98  101  104  109 
LCS_GDT     D   139_B     D   139_B     33   53   80      8   25   34   41   48   51   56   59   62   67   72   76   80   85   88   92   98  101  104  109 
LCS_GDT     P   140_B     P   140_B     33   53   80      8   25   34   41   48   51   56   59   62   65   68   75   80   85   88   92   98  101  104  109 
LCS_GDT     E   141_B     E   141_B     33   53   80     10   25   34   41   48   51   56   59   62   65   68   75   80   85   88   92   98  101  104  109 
LCS_GDT     R   142_B     R   142_B     33   53   80     10   25   34   41   48   51   56   59   62   67   72   76   80   85   88   92   98  101  104  109 
LCS_GDT     A   143_B     A   143_B     33   53   80     10   25   34   41   48   51   56   59   62   67   72   76   80   85   88   92   98  101  104  109 
LCS_GDT     A   144_B     A   144_B     33   53   80     10   25   34   41   48   51   56   59   62   65   68   74   79   85   88   92   98  101  104  109 
LCS_GDT     A   145_B     A   145_B     33   53   80     11   25   34   41   48   51   56   59   62   67   72   76   80   85   88   92   98  101  104  109 
LCS_GDT     I   146_B     I   146_B     33   53   80     11   25   34   41   48   51   56   59   62   67   72   76   80   85   88   92   98  101  104  109 
LCS_GDT     E   147_B     E   147_B     33   53   80     11   25   34   41   48   51   56   59   62   65   68   70   79   85   88   92   98  101  104  109 
LCS_GDT     A   148_B     A   148_B     33   53   80     11   25   34   41   48   51   56   59   62   65   68   74   79   85   88   92   98  101  104  109 
LCS_GDT     L   149_B     L   149_B     33   53   80     11   25   34   41   48   51   56   59   62   67   72   76   80   85   88   92   98  101  104  109 
LCS_GDT     W   150_B     W   150_B     33   53   80     11   25   34   41   48   51   56   59   62   65   68   75   80   85   88   92   98  101  104  109 
LCS_GDT     K   151_B     K   151_B     33   53   80     11   24   34   41   48   51   56   59   62   65   68   70   71   75   84   90   98  101  104  109 
LCS_GDT     P   152_B     P   152_B     33   53   80      8   24   34   41   48   51   56   59   62   65   68   70   71   75   84   89   98  101  104  109 
LCS_GDT     T   153_B     T   153_B     33   53   80     11   25   34   41   48   51   56   59   62   65   68   70   71   75   86   91   98  101  103  108 
LCS_GDT     L   154_B     L   154_B     33   53   80     11   25   34   41   48   51   56   59   62   65   68   70   71   74   77   82   91   97  102  104 
LCS_GDT     D   155_B     D   155_B     33   53   80     11   25   34   41   48   51   56   59   62   65   68   70   71   74   77   82   85   92   98  103 
LCS_GDT     Q   156_B     Q   156_B     33   53   80     10   19   34   41   48   51   56   59   62   65   68   70   71   74   77   82   85   92   98  104 
LCS_GDT     L   157_B     L   157_B     33   53   80      9   25   34   41   48   51   56   59   62   65   68   70   71   74   77   82   85   90   96  100 
LCS_GDT     L   158_B     L   158_B     33   53   80      9   25   34   41   48   51   56   59   62   65   68   70   71   74   77   82   85   90   96  100 
LCS_GDT     A   159_B     A   159_B     33   53   80      9   25   34   41   48   51   56   59   62   65   68   70   71   74   77   82   85   90   96  100 
LCS_GDT     V   160_B     V   160_B     33   53   80      8   19   33   41   48   51   56   59   62   65   68   70   71   74   77   82   85   90   96  100 
LCS_GDT     L   161_B     L   161_B     33   53   80      9   19   32   41   48   51   56   59   62   65   68   70   71   74   77   82   85   90   96  100 
LCS_GDT     Q   162_B     Q   162_B     33   53   80      8   19   34   41   48   51   56   59   62   65   68   70   71   74   77   82   85   90   96  100 
LCS_GDT     E   163_B     E   163_B     24   52   80      8   19   33   41   48   51   56   59   62   65   68   70   71   74   77   82   85   90   96  100 
LCS_GDT     K   164_B     K   164_B     23   52   80      9   19   26   36   48   51   56   59   62   65   68   70   71   74   77   82   85   90   96  100 
LCS_GDT     H   165_B     H   165_B     23   52   80      9   19   26   39   48   51   56   59   62   65   68   70   71   74   77   82   85   90   96  100 
LCS_GDT     K   166_B     K   166_B     23   52   80      9   19   26   40   48   51   56   59   62   65   68   70   71   74   77   82   85   90   96  100 
LCS_GDT     G   167_B     G   167_B     21   45   80      3   14   23   27   36   51   56   59   62   65   68   70   71   74   77   82   85   90   96  100 
LCS_GDT     K   168_B     K   168_B     21   45   80      8   19   24   29   38   51   56   59   62   65   68   70   71   74   77   82   85   90   96  100 
LCS_GDT     P   169_B     P   169_B     21   45   80      4   19   24   29   38   51   56   59   62   65   68   70   71   74   77   82   85   90   96  100 
LCS_GDT     A   170_B     A   170_B     18   33   80      4    4    5   12   23   31   37   51   58   63   68   70   71   74   77   82   85   90   96  100 
LCS_GDT     T   171_B     T   171_B      6   34   80      4    5    8   12   21   40   52   59   62   65   68   70   71   74   77   82   85   90   96  100 
LCS_GDT     T   172_B     T   172_B      7   34   80      4    8   14   19   30   32   43   55   62   65   68   70   71   74   77   82   85   90   96  100 
LCS_GDT     V   173_B     V   173_B      7   34   80      3    5    8   12   29   32   36   43   54   65   68   70   71   74   77   82   85   90   96  100 
LCS_GDT     T   174_B     T   174_B      7   34   80      3    5    8   11   19   32   33   36   41   49   54   58   65   72   77   82   85   90   96  100 
LCS_GDT     Y   175_B     Y   175_B      7   34   80      3    5    8   13   30   32   33   36   41   46   52   58   64   71   76   82   85   90   96  100 
LCS_GDT     E   176_B     E   176_B      7   34   80      3    5    8   17   30   32   33   34   40   44   47   50   54   59   63   68   76   80   84   97 
LCS_GDT     I   177_B     I   177_B     28   34   80     11   25   27   27   30   32   33   34   35   42   45   47   52   55   60   64   70   80   83   85 
LCS_GDT     S   178_B     S   178_B     28   34   80     11   25   27   27   30   32   33   34   35   41   44   47   50   53   57   64   70   73   79   85 
LCS_GDT     A   179_B     A   179_B     28   34   80     11   24   27   27   30   32   33   35   40   44   47   51   55   59   63   69   76   81   91   98 
LCS_GDT     E   180_B     E   180_B     28   34   80     11   25   27   27   30   32   33   35   40   44   49   55   58   61   67   79   83   90   92  100 
LCS_GDT     T   181_B     T   181_B     28   34   80     13   25   27   27   30   32   33   36   41   45   52   56   60   70   75   82   85   90   96  100 
LCS_GDT     L   182_B     L   182_B     28   34   80     13   25   27   27   30   36   41   49   56   63   68   70   71   74   77   82   85   90   96  100 
LCS_GDT     R   183_B     R   183_B     28   34   80     13   25   27   27   31   37   42   49   57   63   68   70   71   74   77   82   85   90   96  100 
LCS_GDT     A   184_B     A   184_B     28   34   80     11   25   27   27   30   32   33   38   48   55   61   67   70   73   77   82   85   90   96  100 
LCS_GDT     A   185_B     A   185_B     28   34   80     11   24   27   27   30   32   36   45   56   60   68   68   70   74   77   82   85   90   96  100 
LCS_GDT     V   186_B     V   186_B     28   34   80     11   25   27   27   30   32   33   47   53   60   68   68   71   74   77   82   85   90   96  100 
LCS_GDT     A   187_B     A   187_B     28   34   78     11   25   27   27   30   32   33   37   42   48   55   63   68   70   76   79   84   87   95  100 
LCS_GDT     A   188_B     A   188_B     28   34   43     11   25   27   27   30   32   33   34   34   35   42   45   55   59   65   69   72   77   83   90 
LCS_GDT     L   189_B     L   189_B     28   34   43     13   25   27   27   30   32   33   34   34   35   37   39   44   48   54   59   65   70   76   80 
LCS_GDT     A   190_B     A   190_B     28   34   43     13   25   27   27   30   32   33   34   34   35   37   39   39   41   48   51   58   61   67   74 
LCS_GDT     R   191_B     R   191_B     28   34   43     13   25   27   27   30   32   33   34   34   35   37   39   39   41   47   51   56   60   62   67 
LCS_GDT     A   192_B     A   192_B     28   34   43     13   25   27   27   30   32   33   34   34   35   37   39   39   41   42   44   48   53   56   61 
LCS_GDT     A   193_B     A   193_B     28   34   43     13   25   27   27   30   32   33   34   34   35   37   39   39   41   42   44   47   50   55   58 
LCS_GDT     E   194_B     E   194_B     28   34   43     13   25   27   27   30   32   33   34   34   35   37   39   39   41   42   44   47   50   55   58 
LCS_GDT     A   195_B     A   195_B     28   34   43     13   25   27   27   30   32   33   34   34   35   37   39   39   41   42   44   47   50   55   58 
LCS_GDT     A   196_B     A   196_B     28   34   43     13   25   27   27   30   32   33   34   34   35   37   39   39   41   42   44   47   50   55   58 
LCS_GDT     L   197_B     L   197_B     28   34   43     13   25   27   27   30   32   33   34   34   35   37   39   39   41   42   44   47   50   55   58 
LCS_GDT     R   198_B     R   198_B     28   34   43     13   25   27   27   30   32   33   34   34   35   37   39   39   41   42   44   47   50   55   58 
LCS_GDT     R   199_B     R   199_B     28   34   43     11   25   27   27   30   32   33   34   34   35   37   39   39   41   42   44   47   49   54   58 
LCS_GDT     K   200_B     K   200_B     28   34   43     11   25   27   27   30   32   33   34   34   35   37   39   39   41   42   44   47   49   54   58 
LCS_GDT     V   201_B     V   201_B     28   34   43     11   25   27   27   30   32   33   34   34   35   37   39   39   41   42   44   47   49   54   58 
LCS_GDT     G   202_B     G   202_B     28   34   43     11   25   27   27   30   32   33   34   34   35   37   39   39   41   42   44   47   49   54   58 
LCS_GDT     S   203_B     S   203_B     28   34   43     11   25   27   27   30   32   33   34   34   35   37   39   39   41   42   44   47   48   51   57 
LCS_GDT     L   204_B     L   204_B     28   34   43      4    4    5   11   26   32   33   34   34   35   37   39   39   41   42   44   47   48   51   56 
LCS_GDT     E   205_B     E   205_B      4   34   43      4    4    4    4    6    7    8   14   18   33   37   39   39   41   42   42   47   49   53   58 
LCS_GDT     S   206_B     S   206_B      4    5   43      4    4    4    4    6   19   25   32   33   35   37   39   39   41   42   44   47   50   55   58 
LCS_GDT     S   207_B     S   207_B      4    5   43      3    3    4    4    6    7    8   21   27   30   32   35   39   41   42   44   47   50   55   58 
LCS_GDT     G   208_B     G   208_B      4    5   43      0    3    4    4    6    7    7   10   11   12   13   16   17   21   24   29   42   49   55   58 
LCS_GDT     L   209_B     L   209_B      3    5   43      0    3    3    4    5    5    5    9   11   12   15   16   19   21   26   36   42   49   55   58 
LCS_GDT     E   210_B     E   210_B      3    5   43      1    3    3    4    5    6    7   10   11   12   15   16   19   21   24   29   32   34   38   39 
LCS_AVERAGE  LCS_A:  22.62  (  13.42   20.09   34.33 )

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     21     39     47     49     52     54     57     59     62     67     72     76     80     85     88     92     98    101    104    109 
GDT PERCENT_AT  10.14  18.84  22.71  23.67  25.12  26.09  27.54  28.50  29.95  32.37  34.78  36.71  38.65  41.06  42.51  44.44  47.34  48.79  50.24  52.66
GDT RMS_LOCAL    0.34   0.60   0.78   0.87   1.06   1.33   1.73   2.26   2.42   2.96   3.31   3.80   3.99   4.23   4.40   4.70   5.23   5.43   5.71   6.06
GDT RMS_ALL_AT  19.94  20.00  20.03  20.03  20.02  20.07  19.78  23.22  23.16  19.39  19.32  19.49  19.49  19.43  19.33  19.29  19.06  19.03  19.30  19.37

# Checking swapping
#   possible swapping detected:  E    26_B      E    26_B
#   possible swapping detected:  D    29_B      D    29_B
#   possible swapping detected:  D    39_B      D    39_B
#   possible swapping detected:  E    41_B      E    41_B
#   possible swapping detected:  D    43_B      D    43_B
#   possible swapping detected:  Y    56_B      Y    56_B
#   possible swapping detected:  F    64_B      F    64_B
#   possible swapping detected:  E    66_B      E    66_B
#   possible swapping detected:  Y    91_B      Y    91_B
#   possible swapping detected:  D   100_B      D   100_B
#   possible swapping detected:  F   107_B      F   107_B
#   possible swapping detected:  F   132_B      F   132_B
#   possible swapping detected:  E   141_B      E   141_B
#   possible swapping detected:  E   147_B      E   147_B
#   possible swapping detected:  Y   175_B      Y   175_B
#   possible swapping detected:  E   180_B      E   180_B
#   possible swapping detected:  E   194_B      E   194_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    P     4_B      P     4_B    16.075     0    0.069   0.098    16.571    0.000    0.000
LGA    D     5_B      D     5_B    15.592     3    0.055   0.062    16.297    0.000    0.000
LGA    F     6_B      F     6_B    15.577     0    0.167   1.229    15.994    0.000    0.000
LGA    T     7_B      T     7_B    14.633     0    0.199   0.307    16.678    0.000    0.000
LGA    G     8_B      G     8_B    18.138     0    0.430   0.430    18.524    0.000    0.000
LGA    A     9_B      A     9_B    19.611     0    0.053   0.050    20.428    0.000    0.000
LGA    R    10_B      R    10_B    19.731     6    0.019   0.045    20.022    0.000    0.000
LGA    E    11_B      E    11_B    18.143     0    0.019   0.927    18.771    0.000    0.000
LGA    R    12_B      R    12_B    17.414     0    0.023   1.312    18.399    0.000    0.000
LGA    F    13_B      F    13_B    18.446     0    0.016   1.170    26.072    0.000    0.000
LGA    L    14_B      L    14_B    17.987     3    0.086   0.086    18.163    0.000    0.000
LGA    A    15_B      A    15_B    16.586     0    0.126   0.130    17.135    0.000    0.000
LGA    G    16_B      G    16_B    16.828     0    0.690   0.690    18.283    0.000    0.000
LGA    D    17_B      D    17_B    16.885     0    0.053   1.062    19.622    0.000    0.000
LGA    V    18_B      V    18_B    19.801     0    0.586   1.034    21.443    0.000    0.000
LGA    T    19_B      T    19_B    18.900     0    0.701   1.017    19.745    0.000    0.000
LGA    I    20_B      I    20_B    19.577     0    0.572   1.002    21.259    0.000    0.000
LGA    V    21_B      V    21_B    25.466     0    0.594   0.764    29.370    0.000    0.000
LGA    L    22_B      L    22_B    24.851     0    0.562   0.560    25.179    0.000    0.000
LGA    L    23_B      L    23_B    25.180     0    0.597   0.615    26.113    0.000    0.000
LGA    I    24_B      I    24_B    26.559     0    0.592   0.654    28.006    0.000    0.000
LGA    A    25_B      A    25_B    31.027     0    0.544   0.538    31.857    0.000    0.000
LGA    E    26_B      E    26_B    30.957     0    0.132   1.438    34.350    0.000    0.000
LGA    S    27_B      S    27_B    30.639     0    0.026   0.540    32.541    0.000    0.000
LGA    H    28_B      H    28_B    30.491     0    0.333   1.099    32.814    0.000    0.000
LGA    D    29_B      D    29_B    31.188     0    0.203   0.965    33.593    0.000    0.000
LGA    A    30_B      A    30_B    32.978     0    0.028   0.048    33.226    0.000    0.000
LGA    P    31_B      P    31_B    33.046     0    0.065   0.260    35.909    0.000    0.000
LGA    Y    32_B      Y    32_B    31.583     0    0.573   1.295    31.708    0.000    0.000
LGA    R    33_B      R    33_B    30.008     0    0.157   0.755    32.286    0.000    0.000
LGA    L    34_B      L    34_B    29.487     0    0.599   0.616    31.435    0.000    0.000
LGA    A    35_B      A    35_B    30.703     0    0.193   0.206    31.907    0.000    0.000
LGA    N    36_B      N    36_B    33.590     3    0.066   0.069    35.434    0.000    0.000
LGA    P    37_B      P    37_B    33.343     0    0.150   0.261    34.998    0.000    0.000
LGA    E    38_B      E    38_B    38.527     4    0.020   0.018    40.633    0.000    0.000
LGA    D    39_B      D    39_B    39.051     0    0.087   1.177    44.082    0.000    0.000
LGA    P    40_B      P    40_B    33.014     0    0.138   0.146    35.230    0.000    0.000
LGA    E    41_B      E    41_B    36.480     0    0.184   0.702    41.578    0.000    0.000
LGA    A    42_B      A    42_B    38.899     0    0.657   0.594    39.879    0.000    0.000
LGA    D    43_B      D    43_B    36.258     0    0.458   1.363    40.055    0.000    0.000
LGA    L    44_B      L    44_B    32.491     0    0.552   1.115    33.860    0.000    0.000
LGA    S    45_B      S    45_B    30.864     0    0.191   0.623    31.280    0.000    0.000
LGA    D    46_B      D    46_B    28.017     0    0.037   0.738    29.349    0.000    0.000
LGA    E    47_B      E    47_B    26.165     0    0.100   0.247    27.110    0.000    0.000
LGA    Q    48_B      Q    48_B    27.411     0    0.210   0.926    32.082    0.000    0.000
LGA    L    49_B      L    49_B    26.681     0    0.057   0.271    29.939    0.000    0.000
LGA    E    50_B      E    50_B    23.547     4    0.045   0.044    24.848    0.000    0.000
LGA    R    51_B      R    51_B    23.256     0    0.411   1.196    27.695    0.000    0.000
LGA    A    52_B      A    52_B    24.505     0    0.404   0.408    25.931    0.000    0.000
LGA    L    53_B      L    53_B    22.274     0    0.059   1.378    23.534    0.000    0.000
LGA    A    54_B      A    54_B    19.150     0    0.054   0.052    20.516    0.000    0.000
LGA    A    55_B      A    55_B    19.623     0    0.015   0.023    20.758    0.000    0.000
LGA    Y    56_B      Y    56_B    20.361     0    0.016   1.500    31.746    0.000    0.000
LGA    L    57_B      L    57_B    17.408     0    0.033   0.391    18.860    0.000    0.000
LGA    T    58_B      T    58_B    14.497     0    0.005   0.132    15.717    0.000    0.000
LGA    L    59_B      L    59_B    15.620     0    0.020   1.132    20.293    0.000    0.000
LGA    V    60_B      V    60_B    16.180     0    0.040   1.133    18.229    0.000    0.000
LGA    E    61_B      E    61_B    12.740     0    0.015   0.541    14.135    0.000    0.000
LGA    T    62_B      T    62_B    10.404     0    0.148   1.302    11.532    0.000    0.000
LGA    L    63_B      L    63_B    12.332     0    0.085   0.334    15.392    0.000    0.000
LGA    F    64_B      F    64_B    14.615     0    0.018   0.224    17.504    0.000    0.000
LGA    P    65_B      P    65_B    12.844     0    0.030   0.313    14.573    0.000    0.000
LGA    E    66_B      E    66_B    16.777     0    0.010   1.580    18.978    0.000    0.000
LGA    L    67_B      L    67_B    19.886     0    0.062   1.346    22.358    0.000    0.000
LGA    Y    68_B      Y    68_B    17.776     0    0.073   0.087    18.743    0.000    0.000
LGA    A    69_B      A    69_B    17.506     0    0.025   0.029    19.890    0.000    0.000
LGA    E    70_B      E    70_B    22.147     0    0.025   0.883    24.393    0.000    0.000
LGA    M    71_B      M    71_B    23.480     0    0.016   1.333    24.446    0.000    0.000
LGA    K    72_B      K    72_B    21.292     0    0.045   0.361    23.148    0.000    0.000
LGA    A    73_B      A    73_B    23.597     0    0.053   0.058    26.043    0.000    0.000
LGA    A    74_B      A    74_B    27.717     0    0.008   0.014    29.365    0.000    0.000
LGA    L    75_B      L    75_B    27.273     0    0.054   1.302    28.050    0.000    0.000
LGA    A    76_B      A    76_B    26.059     0    0.047   0.052    28.223    0.000    0.000
LGA    A    77_B      A    77_B    30.072     0    0.156   0.164    32.447    0.000    0.000
LGA    A    78_B      A    78_B    33.132     0    0.055   0.077    33.386    0.000    0.000
LGA    K    79_B      K    79_B    35.123     0    0.054   1.026    36.082    0.000    0.000
LGA    T    80_B      T    80_B    38.099     0    0.035   0.894    40.126    0.000    0.000
LGA    P    81_B      P    81_B    36.543     0    0.017   0.061    38.137    0.000    0.000
LGA    E    82_B      E    82_B    38.397     4    0.018   0.020    40.019    0.000    0.000
LGA    E    83_B      E    83_B    36.320     4    0.021   0.024    37.197    0.000    0.000
LGA    K    84_B      K    84_B    32.503     0    0.058   0.438    34.103    0.000    0.000
LGA    I    85_B      I    85_B    33.047     0    0.033   1.053    35.963    0.000    0.000
LGA    A    86_B      A    86_B    34.367     0    0.007   0.017    35.724    0.000    0.000
LGA    V    87_B      V    87_B    30.982     0    0.021   0.107    32.335    0.000    0.000
LGA    F    88_B      F    88_B    28.420     0    0.026   1.235    29.558    0.000    0.000
LGA    R    89_B      R    89_B    30.185     0    0.037   0.725    33.016    0.000    0.000
LGA    E    90_B      E    90_B    29.728     0    0.012   0.170    30.891    0.000    0.000
LGA    Y    91_B      Y    91_B    26.088     0    0.038   0.128    27.529    0.000    0.000
LGA    N    92_B      N    92_B    25.330     0    0.023   0.967    26.356    0.000    0.000
LGA    A    93_B      A    93_B    26.074     0    0.035   0.045    27.425    0.000    0.000
LGA    R    94_B      R    94_B    23.879     0    0.037   1.324    28.188    0.000    0.000
LGA    F    95_B      F    95_B    20.853     0    0.018   1.085    22.517    0.000    0.000
LGA    L    96_B      L    96_B    21.759     0    0.059   1.273    23.441    0.000    0.000
LGA    A    97_B      A    97_B    21.769     0    0.064   0.102    22.811    0.000    0.000
LGA    E    98_B      E    98_B    18.682     0    0.062   0.908    20.404    0.000    0.000
LGA    F    99_B      F    99_B    16.227     0    0.053   0.267    17.404    0.000    0.000
LGA    D   100_B      D   100_B    17.576     0    0.025   1.055    22.162    0.000    0.000
LGA    A   101_B      A   101_B    16.138     0    0.053   0.059    17.215    0.000    0.000
LGA    L   102_B      L   102_B    11.656     0    0.021   0.121    13.458    0.357    0.179
LGA    I   103_B      I   103_B    10.235     0    0.057   0.187    11.619    0.833    0.417
LGA    D   104_B      D   104_B    11.293     0    0.035   0.332    15.420    0.119    0.060
LGA    Q   105_B      Q   105_B     9.574     0    0.050   1.056    14.506    4.405    1.958
LGA    A   106_B      A   106_B     5.599     0    0.037   0.043     7.223   26.548   25.524
LGA    F   107_B      F   107_B     5.029     0    0.117   0.711     6.731   30.595   23.247
LGA    A   108_B      A   108_B     6.169     0    0.042   0.053     7.784   22.738   19.619
LGA    R   109_B      R   109_B     4.975     0    0.013   1.009    12.069   34.524   18.268
LGA    L   110_B      L   110_B     1.526     3    0.146   0.149     2.481   66.786   44.702
LGA    K   111_B      K   111_B     3.079     2    0.084   0.505     4.714   59.167   38.730
LGA    A   112_B      A   112_B     0.993     0    0.273   0.285     2.317   77.381   78.190
LGA    D   113_B      D   113_B     1.384     0    0.035   0.264     2.724   75.476   75.298
LGA    S   114_B      S   114_B     3.269     0    0.676   0.911     4.310   57.262   51.587
LGA    L   115_B      L   115_B     2.393     0    0.081   0.493     2.834   62.857   60.952
LGA    T   116_B      T   116_B     2.077     0    0.030   0.053     2.169   68.810   67.075
LGA    L   117_B      L   117_B     1.779     0    0.034   0.338     2.939   70.833   71.071
LGA    K   118_B      K   118_B     2.132     0    0.046   0.347     2.899   68.810   64.868
LGA    I   119_B      I   119_B     2.257     0    0.015   0.266     2.946   60.952   62.857
LGA    H   120_B      H   120_B     3.187     0    0.050   0.086     3.557   53.571   51.476
LGA    L   121_B      L   121_B     3.521     0    0.059   0.250     4.833   38.810   49.048
LGA    S   122_B      S   122_B     5.358     0    0.278   0.581     8.662   30.238   22.857
LGA    Q   123_B      Q   123_B     6.092     4    0.367   0.383     6.615   19.286   10.053
LGA    G   124_B      G   124_B     5.518     0    0.680   0.680     5.643   32.857   32.857
LGA    K   125_B      K   125_B     5.709     4    0.071   0.070     7.568   22.857   10.952
LGA    G   126_B      G   126_B     2.668     0    0.142   0.142     3.488   55.357   55.357
LGA    S   127_B      S   127_B     2.254     0    0.038   0.095     2.630   68.810   64.921
LGA    Y   128_B      Y   128_B     1.514     0    0.011   0.172     1.806   77.143   77.143
LGA    E   129_B      E   129_B     0.696     0    0.095   0.333     1.758   88.214   84.550
LGA    I   130_B      I   130_B     0.758     0    0.070   0.151     1.432   90.476   89.345
LGA    I   131_B      I   131_B     1.431     0    0.040   0.623     2.151   77.143   75.060
LGA    F   132_B      F   132_B     1.683     0    0.057   0.242     2.238   70.833   76.797
LGA    P   133_B      P   133_B     1.960     0    0.093   0.235     2.220   70.833   72.993
LGA    P   134_B      P   134_B     2.372     0    0.034   0.052     2.635   64.762   63.673
LGA    E   135_B      E   135_B     1.467     4    0.031   0.036     1.774   75.000   42.381
LGA    V   136_B      V   136_B     1.697     0    0.128   0.249     2.674   66.905   73.129
LGA    Q   137_B      Q   137_B     2.579     4    0.039   0.057     2.791   59.048   32.593
LGA    A   138_B      A   138_B     2.428     0    0.099   0.103     2.449   64.762   64.762
LGA    D   139_B      D   139_B     2.280     0    0.024   0.278     2.367   66.786   65.774
LGA    P   140_B      P   140_B     2.045     0    0.024   0.163     2.415   68.810   67.075
LGA    E   141_B      E   141_B     1.836     0    0.078   0.942     3.601   72.857   66.032
LGA    R   142_B      R   142_B     1.004     0    0.048   1.060     3.977   83.690   78.139
LGA    A   143_B      A   143_B     1.052     0    0.013   0.028     1.141   85.952   85.048
LGA    A   144_B      A   144_B     0.854     0    0.013   0.016     0.982   90.476   90.476
LGA    A   145_B      A   145_B     0.663     0    0.022   0.024     0.781   95.238   94.286
LGA    I   146_B      I   146_B     0.372     0    0.007   0.347     1.430  100.000   92.976
LGA    E   147_B      E   147_B     0.476     0    0.025   0.627     3.457  100.000   84.709
LGA    A   148_B      A   148_B     0.278     0    0.028   0.037     0.356  100.000  100.000
LGA    L   149_B      L   149_B     0.454     0    0.045   1.349     2.813   95.238   82.321
LGA    W   150_B      W   150_B     0.585     0    0.019   0.235     1.440   90.595   91.293
LGA    K   151_B      K   151_B     1.218     4    0.064   0.064     1.607   79.286   44.286
LGA    P   152_B      P   152_B     1.728     0    0.107   0.185     1.851   75.000   74.082
LGA    T   153_B      T   153_B     1.566     0    0.073   1.151     3.613   72.857   69.864
LGA    L   154_B      L   154_B     1.522     0    0.018   0.343     1.741   72.857   79.405
LGA    D   155_B      D   155_B     2.003     0    0.016   0.065     2.233   66.786   66.786
LGA    Q   156_B      Q   156_B     2.337     0    0.018   1.171     4.678   64.762   57.672
LGA    L   157_B      L   157_B     1.524     0    0.062   0.834     2.720   77.143   74.167
LGA    L   158_B      L   158_B     1.198     0    0.014   0.864     2.969   81.429   77.321
LGA    A   159_B      A   159_B     1.987     0    0.023   0.025     2.477   68.810   68.000
LGA    V   160_B      V   160_B     2.254     0    0.025   0.221     3.117   68.810   62.857
LGA    L   161_B      L   161_B     1.284     0    0.044   0.355     2.053   81.429   78.274
LGA    Q   162_B      Q   162_B     0.673     0    0.016   0.723     3.800   90.476   76.667
LGA    E   163_B      E   163_B     2.022     3    0.101   0.181     2.472   68.929   45.026
LGA    K   164_B      K   164_B     2.806     4    0.024   0.048     3.217   57.262   31.005
LGA    H   165_B      H   165_B     2.047     0    0.183   0.724     2.824   66.786   68.905
LGA    K   166_B      K   166_B     1.572     2    0.065   0.722     2.922   66.905   54.974
LGA    G   167_B      G   167_B     3.532     0    0.199   0.199     3.702   46.786   46.786
LGA    K   168_B      K   168_B     3.640     0    0.126   0.379     5.475   43.333   39.418
LGA    P   169_B      P   169_B     3.865     0    0.414   0.553     4.757   37.381   37.279
LGA    A   170_B      A   170_B     6.964     0    0.187   0.205     9.028   21.786   17.714
LGA    T   171_B      T   171_B     4.697     0    0.046   0.795     7.485   22.262   22.177
LGA    T   172_B      T   172_B     5.402     0    0.275   0.791     7.825   25.119   18.707
LGA    V   173_B      V   173_B     6.473     0    0.088   0.259     7.430   14.643   17.619
LGA    T   174_B      T   174_B     9.839     0    0.204   1.024    13.257    1.548    0.884
LGA    Y   175_B      Y   175_B     9.854     0    0.141   1.190    13.042    0.119    7.500
LGA    E   176_B      E   176_B    14.010     0    0.607   0.849    20.847    0.000    0.000
LGA    I   177_B      I   177_B    14.755     0    0.232   1.036    17.904    0.000    0.000
LGA    S   178_B      S   178_B    17.019     0    0.069   0.166    19.142    0.000    0.000
LGA    A   179_B      A   179_B    14.170     0    0.088   0.099    15.774    0.000    0.000
LGA    E   180_B      E   180_B    16.484     0    0.043   0.953    21.928    0.000    0.000
LGA    T   181_B      T   181_B    14.596     0    0.030   0.093    17.579    0.000    0.000
LGA    L   182_B      L   182_B     8.206     0    0.062   1.246    10.703    4.881   10.119
LGA    R   183_B      R   183_B     9.594     0    0.018   1.309    14.519    0.476    0.216
LGA    A   184_B      A   184_B    14.859     0    0.026   0.029    16.776    0.000    0.000
LGA    A   185_B      A   185_B    11.506     0    0.047   0.051    12.301    0.000    0.095
LGA    V   186_B      V   186_B     9.376     0    0.034   0.123    13.251    0.714    7.347
LGA    A   187_B      A   187_B    15.343     0    0.016   0.022    18.880    0.000    0.000
LGA    A   188_B      A   188_B    18.713     0    0.040   0.042    20.661    0.000    0.000
LGA    L   189_B      L   189_B    16.932     0    0.078   1.230    20.341    0.000    0.000
LGA    A   190_B      A   190_B    19.402     0    0.025   0.026    23.824    0.000    0.000
LGA    R   191_B      R   191_B    24.982     0    0.025   1.134    28.369    0.000    0.000
LGA    A   192_B      A   192_B    26.355     0    0.047   0.048    29.163    0.000    0.000
LGA    A   193_B      A   193_B    26.641     0    0.016   0.020    30.696    0.000    0.000
LGA    E   194_B      E   194_B    30.543     0    0.036   1.022    34.915    0.000    0.000
LGA    A   195_B      A   195_B    34.845     0    0.017   0.016    38.276    0.000    0.000
LGA    A   196_B      A   196_B    35.564     0    0.024   0.025    39.323    0.000    0.000
LGA    L   197_B      L   197_B    37.591     0    0.023   0.323    41.893    0.000    0.000
LGA    R   198_B      R   198_B    41.910     0    0.028   1.590    46.063    0.000    0.000
LGA    R   199_B      R   199_B    45.073     0    0.020   1.247    48.530    0.000    0.000
LGA    K   200_B      K   200_B    46.137     0    0.012   0.776    50.160    0.000    0.000
LGA    V   201_B      V   201_B    48.704     0    0.070   1.291    53.038    0.000    0.000
LGA    G   202_B      G   202_B    52.959     0    0.219   0.219    57.242    0.000    0.000
LGA    S   203_B      S   203_B    55.684     1    0.530   0.539    58.344    0.000    0.000
LGA    L   204_B      L   204_B    58.372     3    0.273   0.285    58.952    0.000    0.000
LGA    E   205_B      E   205_B    55.256     4    0.380   0.373    55.932    0.000    0.000
LGA    S   206_B      S   206_B    56.103     1    0.096   0.101    56.896    0.000    0.000
LGA    S   207_B      S   207_B    56.399     0    0.633   0.845    57.130    0.000    0.000
LGA    G   208_B      G   208_B    54.234     0    0.599   0.599    54.626    0.000    0.000
LGA    L   209_B      L   209_B    49.824     3    0.612   0.564    51.086    0.000    0.000
LGA    E   210_B      E   210_B    46.989     4    0.406   0.437    48.642    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    1517   1517  100.00               207
SUMMARY(RMSD_GDC):    17.561         17.600                 16.874           20.983   19.361

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  214  207    4.0     59    2.26    28.865    26.966     2.504

LGA_LOCAL      RMSD:   2.256  Number of atoms:   59  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  23.216  Number of assigned atoms:  207 
Std_ASGN_ATOMS RMSD:  17.561  Standard rmsd on all 207 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.698352 * X  +   0.046203 * Y  +  -0.714261 * Z  + -13.045249
  Y_new =  -0.516764 * X  +  -0.657918 * Y  +  -0.547813 * Z  +  28.432331
  Z_new =  -0.495236 * X  +   0.751671 * Y  +  -0.435583 * Z  +  24.663734 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.637055  0.518107  2.095995   [DEG:  -36.5005   29.6853  120.0917 ]
ZXZ: -0.916526  2.021482 -0.582570   [DEG:  -52.5131  115.8224  -33.3788 ]
 
# END of job
