
#######################################################
#                                                     #
#                        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  192 ( 1541),  selected  192 , name one
# Molecule2: number of CA atoms  345 ( 2795),  selected  192 , 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:   113     106_A - 218_A       4.90    26.33
  LONGEST_CONTINUOUS_SEGMENT:   113     107_A - 219_A       4.90    26.43
  LONGEST_CONTINUOUS_SEGMENT:   113     108_A - 220_A       4.98    26.49
  LCS_AVERAGE:     22.69

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    47     170_A - 216_A       1.94    26.84
  LCS_AVERAGE:      5.76

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    29     170_A - 198_A       0.82    27.04
  LCS_AVERAGE:      3.18

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  192
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     R    35_A     R    35_A     13   14   25     11   12   13   14   14   15   16   17   18   19   19   21   24   26   27   29   31   38   40   44 
LCS_GDT     E    36_A     E    36_A     13   14   29     11   12   13   14   14   15   16   17   18   19   19   21   24   26   27   29   31   38   42   49 
LCS_GDT     Q    37_A     Q    37_A     13   14   29     11   12   13   14   14   15   16   17   18   19   20   23   24   26   27   29   31   38   40   49 
LCS_GDT     R    38_A     R    38_A     13   14   29     11   12   13   14   14   15   16   17   18   19   20   23   24   26   27   29   31   38   40   49 
LCS_GDT     I    39_A     I    39_A     13   14   29     11   12   13   14   14   15   16   17   18   19   20   23   24   26   27   29   31   38   42   49 
LCS_GDT     L    40_A     L    40_A     13   14   29     11   12   13   14   14   15   16   17   18   19   20   23   24   26   27   29   31   38   42   49 
LCS_GDT     F    41_A     F    41_A     13   14   29     11   12   13   14   14   15   16   17   18   19   20   23   24   26   27   29   31   38   40   49 
LCS_GDT     D    42_A     D    42_A     13   14   29     11   12   13   14   14   15   16   17   18   19   20   23   24   26   27   29   31   38   42   49 
LCS_GDT     I    43_A     I    43_A     13   14   29     11   12   13   14   14   15   16   17   18   19   20   23   24   26   27   29   31   38   42   49 
LCS_GDT     A    44_A     A    44_A     13   14   29     11   12   13   14   14   15   16   17   18   19   20   23   24   26   27   29   31   38   42   49 
LCS_GDT     S    45_A     S    45_A     13   14   29     11   12   13   14   14   15   16   17   18   19   20   23   24   26   27   29   31   38   42   49 
LCS_GDT     L    46_A     L    46_A     13   14   29      4   12   13   14   14   15   16   17   18   19   20   23   24   26   27   29   31   38   42   49 
LCS_GDT     I    47_A     I    47_A     13   14   29      3    4   13   14   14   15   16   17   18   19   19   21   24   26   27   29   31   38   42   49 
LCS_GDT     R    48_A     R    48_A      3   14   29      3    3    4    6    9   12   13   15   16   19   20   23   24   25   27   29   30   38   40   49 
LCS_GDT     S    49_A     S    49_A      6   10   29      4    6    6    6    9   11   12   14   16   17   20   23   24   25   27   29   30   31   31   33 
LCS_GDT     Y    50_A     Y    50_A      6   10   29      4    6    6    6    9   10   12   14   16   16   16   19   22   23   26   29   30   31   31   32 
LCS_GDT     E    51_A     E    51_A      6   12   29      4    6    6    8   10   11   12   14   14   16   19   21   23   25   27   29   30   31   31   34 
LCS_GDT     S    52_A     S    52_A      6   12   29      4    6    6    6    9   11   12   15   16   19   20   23   24   25   27   29   30   31   31   34 
LCS_GDT     N    53_A     N    53_A     10   12   29      4    9    9   12   12   12   12   15   16   19   20   23   24   25   27   29   30   31   31   34 
LCS_GDT     Y    54_A     Y    54_A     10   12   29      6    9    9   12   12   12   12   15   16   19   20   23   24   25   27   29   30   31   31   34 
LCS_GDT     S    55_A     S    55_A     10   12   29      6    9    9   12   12   12   12   15   16   19   20   23   24   25   27   29   30   31   31   34 
LCS_GDT     S    56_A     S    56_A     10   12   29      6    9    9   12   12   12   12   14   16   17   20   23   24   25   27   29   30   31   31   34 
LCS_GDT     F    57_A     F    57_A     10   12   29      6    9    9   12   12   12   12   15   16   19   20   23   24   25   27   29   30   31   31   34 
LCS_GDT     K    58_A     K    58_A     10   12   29      6    9    9   12   12   12   12   15   16   19   20   23   24   25   27   29   30   31   31   34 
LCS_GDT     Q    59_A     Q    59_A     10   12   29      6    9    9   12   12   12   12   14   16   19   20   23   24   25   27   29   30   31   31   34 
LCS_GDT     N    60_A     N    60_A     10   12   29      4    9    9   12   12   12   12   14   16   17   19   20   23   25   27   28   30   31   31   34 
LCS_GDT     Y    61_A     Y    61_A     10   12   29      5    9    9   12   12   12   12   15   16   19   20   23   24   25   27   29   30   31   31   34 
LCS_GDT     P    62_A     P    62_A     10   12   29      4    5    9   12   12   12   12   14   16   19   20   23   24   25   27   29   30   31   31   34 
LCS_GDT     N    63_A     N    63_A      4    5   29      4    4    4    6    7   10   10   13   16   19   20   23   24   25   27   29   30   31   31   34 
LCS_GDT     L    64_A     L    64_A      4    5   29      4    4    4    5    6    7    9   13   16   18   20   23   24   25   27   29   30   32   33   35 
LCS_GDT     P    65_A     P    65_A      3    5   27      3    3    4    5    5    7    9   10   11   14   16   22   24   25   28   30   31   33   34   35 
LCS_GDT     Q    66_A     Q    66_A      3    4   18      3    3    4    4    6    7    9   10   11   13   16   17   20   24   25   28   30   33   34   35 
LCS_GDT     N    67_A     N    67_A      3    5   18      3    3    4    4    5    5    8   12   13   16   18   20   22   25   28   31   32   33   35   36 
LCS_GDT     L    68_A     L    68_A      3    5   18      3    3    4    4    6    8   10   14   16   18   19   21   23   25   28   31   32   33   35   36 
LCS_GDT     S    69_A     S    69_A      3    5   18      3    3    4    4    6    8   10   14   15   17   19   21   22   25   28   31   32   33   35   36 
LCS_GDT     S    70_A     S    70_A      4    6   18      4    4    5    6    6    7    9   13   16   18   19   21   23   25   28   31   32   33   35   36 
LCS_GDT     I    71_A     I    71_A      4    6   18      4    4    5    6    6    7    9   10   13   15   19   20   22   23   26   29   31   33   35   36 
LCS_GDT     T    72_A     T    72_A      4    6   18      4    4    5    6    6    6    9   12   15   18   19   21   22   24   26   29   31   33   35   36 
LCS_GDT     N    73_A     N    73_A      4    6   20      4    4    5    6    6    6    7    7    9   13   16   18   20   23   26   27   30   33   35   36 
LCS_GDT     R    74_A     R    74_A      4    6   20      0    3    5    6    6    6    7    8   10   14   16   17   20   22   23   25   29   30   31   33 
LCS_GDT     I    75_A     I    75_A      4    6   20      1    3    5    6    6    7    8   11   14   16   17   18   20   23   26   27   29   30   31   34 
LCS_GDT     L    76_A     L    76_A      3    3   20      0    3    3    3    4    7    8   11   14   16   17   18   20   23   26   27   29   30   31   34 
LCS_GDT     L    77_A     L    77_A      3    4   20      0    3    3    3    4    5    7    8   10   14   15   16   18   20   23   25   25   29   31   32 
LCS_GDT     L    78_A     L    78_A      3    4   20      3    3    3    3    4    7    8   12   13   14   15   17   20   21   23   25   25   28   31   32 
LCS_GDT     E    79_A     E    79_A      3    4   20      3    3    3    4    6    8   11   12   13   16   17   18   20   22   23   25   29   30   31   33 
LCS_GDT     F    80_A     F    80_A      3    4   20      3    3    4    4    5    8   11   12   14   16   17   18   21   23   26   27   29   31   35   36 
LCS_GDT     I    81_A     I    81_A      4    5   20      3    4    4    4    6    8   11   12   14   16   17   18   20   23   26   27   29   30   31   34 
LCS_GDT     V    82_A     V    82_A      4    5   20      3    4    4    4    6    7   11   12   14   16   17   18   20   22   26   27   29   30   31   33 
LCS_GDT     N    83_A     N    83_A      4    6   21      3    4    4    4    7    8   11   12   13   16   19   21   22   23   26   27   29   33   35   36 
LCS_GDT     T    84_A     T    84_A      4    8   21      3    4    4    7    7    8   10   14   16   18   19   21   23   25   28   31   32   33   35   36 
LCS_GDT     N    85_A     N    85_A      4    8   21      3    4    4    7    7    8   11   14   16   18   19   21   23   25   28   31   32   33   35   36 
LCS_GDT     P    86_A     P    86_A      4    8   22      3    4    4    7    7    8   11   14   16   18   19   21   23   25   28   31   32   33   35   36 
LCS_GDT     Q    87_A     Q    87_A      4    8   25      3    4    4    7    7    8   10   12   16   18   19   21   23   25   28   31   32   33   35   36 
LCS_GDT     K    88_A     K    88_A      3    8   25      3    3    4    7    7    8   11   14   16   18   19   21   23   25   28   31   32   33   35   36 
LCS_GDT     L    89_A     L    89_A      3    8   25      3    3    4    4    6    8   11   14   16   18   19   21   23   25   28   31   32   33   35   36 
LCS_GDT     N    90_A     N    90_A      4    8   25      3    3    4    7    7    8   11   14   16   18   19   21   23   25   28   31   32   33   35   36 
LCS_GDT     F    91_A     F    91_A      4    8   25      3    3    4    7    7    8   11   14   16   18   19   21   23   25   28   31   32   33   35   36 
LCS_GDT     A    92_A     A    92_A      4    7   25      0    3    4    5    6    8   10   14   16   18   19   21   23   25   28   31   32   33   35   36 
LCS_GDT     R    93_A     R    93_A      4    6   25      1    3    4    4    6    7    9   11   15   18   19   21   23   25   28   31   32   33   35   36 
LCS_GDT     S    94_A     S    94_A      3    6   25      3    3    3    4    6    7    9   11   16   18   19   21   23   25   28   31   32   33   35   36 
LCS_GDT     K    95_A     K    95_A      3    6   25      3    3    3    3    4    7    9   11   13   16   18   21   23   25   28   31   32   33   35   36 
LCS_GDT     I    96_A     I    96_A      4    4   25      3    3    5    5    5    7    8   11   13   16   18   21   23   25   28   31   32   33   35   36 
LCS_GDT     L    97_A     L    97_A      4    4   25      3    3    5    5    5    6    7    8   12   16   18   21   23   25   28   31   32   33   35   36 
LCS_GDT     S    98_A     S    98_A      4    4   25      3    5    9   12   12   12   12   14   16   18   19   21   23   25   28   31   32   33   35   36 
LCS_GDT     D    99_A     D    99_A      4    6   25      3    4    5    5    6    7   12   14   16   18   19   21   23   25   28   31   32   33   35   36 
LCS_GDT     R   100_A     R   100_A      4    6   25      3    4    4   12   12   12   12   14   16   18   19   21   23   25   28   31   32   33   35   36 
LCS_GDT     S   101_A     S   101_A      4    6   25      3    4    4    5    6    7    8    9   13   15   19   21   23   25   28   31   32   33   35   36 
LCS_GDT     K   102_A     K   102_A      4    6   25      3    4    5    5    6    7   11   14   16   18   19   21   23   25   28   31   32   33   35   36 
LCS_GDT     L   103_A     L   103_A      5    6   25      3    3    5    5    6    6    8    9   13   16   18   21   23   25   28   31   32   33   41   55 
LCS_GDT     I   104_A     I   104_A      5    6   25      3    4    5    5    6    7    8    9   12   16   18   21   23   25   28   31   32   33   35   36 
LCS_GDT     D   105_A     D   105_A      5    6  112      3    4    5    5    5    7    8    9   10   13   16   21   23   24   28   31   35   46   62   73 
LCS_GDT     K   106_A     K   106_A      5    6  113      3    4    5    6    6    7    8    9   12   13   16   27   37   45   60   74   86   99  104  107 
LCS_GDT     S   107_A     S   107_A      5    6  113      3    4    5    6    6    8   14   21   25   38   44   57   72   84   96  100  104  105  108  111 
LCS_GDT     N   108_A     N   108_A      5    6  113      3    4    5    6   18   27   38   46   57   70   82   89   95  102  104  106  107  108  109  111 
LCS_GDT     F   109_A     F   109_A      5    7  113      3    7   11   16   28   38   51   68   75   80   88   92   96  102  104  106  107  108  109  111 
LCS_GDT     K   110_A     K   110_A      5   14  113      3   18   55   68   74   79   85   89   91   92   93   94   96  102  104  106  107  108  109  111 
LCS_GDT     Y   111_A     Y   111_A      5   14  113     10   35   66   70   74   80   85   89   91   92   93   94   96  102  104  106  107  108  109  111 
LCS_GDT     I   112_A     I   112_A     10   14  113     12   47   65   69   74   80   85   89   91   92   93   94   96  101  104  106  107  108  109  111 
LCS_GDT     S   113_A     S   113_A     10   14  113     27   57   65   70   74   80   85   89   91   92   93   94   96  102  104  106  107  108  109  111 
LCS_GDT     F   114_A     F   114_A     10   14  113      9   56   66   70   74   80   85   89   91   92   93   94   96  102  104  106  107  108  109  111 
LCS_GDT     H   115_A     H   115_A     10   14  113     29   58   66   70   74   80   85   89   91   92   93   94   96  102  104  106  107  108  109  111 
LCS_GDT     P   116_A     P   116_A     10   14  113     40   58   66   70   74   80   85   89   91   92   93   94   96  102  104  106  107  108  109  111 
LCS_GDT     G   117_A     G   117_A     10   14  113     40   58   66   70   74   80   85   89   91   92   93   94   96  102  104  106  107  108  109  111 
LCS_GDT     V   118_A     V   118_A     10   14  113     40   58   66   70   74   80   85   89   91   92   93   94   96  102  104  106  107  108  109  111 
LCS_GDT     D   119_A     D   119_A     10   14  113     40   58   66   70   74   80   85   89   91   92   93   94   96  102  104  106  107  108  109  111 
LCS_GDT     I   120_A     I   120_A     10   14  113     40   58   66   70   74   80   85   89   91   92   93   94   96  102  104  106  107  108  109  111 
LCS_GDT     N   121_A     N   121_A     10   14  113     20   58   66   70   74   80   85   89   91   92   93   94   96  102  104  106  107  108  109  111 
LCS_GDT     Y   122_A     Y   122_A     10   14  113      3    4   24   56   74   80   85   89   91   92   93   94   96  102  104  106  107  108  109  111 
LCS_GDT     G   123_A     G   123_A     10   14  113      6   21   47   67   74   79   85   89   91   92   93   94   96  102  104  106  107  108  109  111 
LCS_GDT     S   124_A     S   124_A      3    5  113      3    4   12   17   24   35   46   62   74   80   84   94   96  102  104  106  107  108  109  111 
LCS_GDT     E   125_A     E   125_A      4    5  113      3    4    8   11   19   29   38   46   63   74   81   86   95  102  104  106  107  108  109  111 
LCS_GDT     N   126_A     N   126_A      4    5  113      3    3    4    7   10   10   12   35   46   56   66   76   85   88   94   99  106  107  109  111 
LCS_GDT     Q   127_A     Q   127_A      4    6  113      3    3    4   15   24   29   38   47   63   75   81   87   95  102  104  106  107  108  109  111 
LCS_GDT     D   128_A     D   128_A      4    6  113      3    3    4    5   19   25   35   46   66   77   84   92   96  102  104  106  107  108  109  111 
LCS_GDT     F   129_A     F   129_A      3    6  113      3    3    7   13   18   29   38   46   58   73   81   87   95  102  104  106  107  108  109  111 
LCS_GDT     G   130_A     G   130_A      3   16  113      3    7   11   19   29   41   59   67   71   81   86   92   96  101  104  106  107  108  109  111 
LCS_GDT     L   131_A     L   131_A     15   19  113     24   56   66   70   74   80   85   89   91   92   93   94   96  102  104  106  107  108  109  111 
LCS_GDT     P   132_A     P   132_A     15   19  113     40   58   66   70   74   80   85   89   91   92   93   94   96  102  104  106  107  108  109  111 
LCS_GDT     V   133_A     V   133_A     15   19  113     40   58   66   70   74   80   85   89   91   92   93   94   96  102  104  106  107  108  109  111 
LCS_GDT     Y   134_A     Y   134_A     15   19  113     34   58   66   70   74   80   85   89   91   92   93   94   96  102  104  106  107  108  109  111 
LCS_GDT     A   135_A     A   135_A     15   19  113     40   58   66   70   74   80   85   89   91   92   93   94   96  102  104  106  107  108  109  111 
LCS_GDT     V   136_A     V   136_A     15   19  113     40   58   66   70   74   80   85   89   91   92   93   94   96  102  104  106  107  108  109  111 
LCS_GDT     T   137_A     T   137_A     15   19  113     40   58   66   70   74   80   85   89   91   92   93   94   96  102  104  106  107  108  109  111 
LCS_GDT     D   138_A     D   138_A     15   19  113     40   58   66   70   74   80   85   89   91   92   93   94   96  102  104  106  107  108  109  111 
LCS_GDT     G   139_A     G   139_A     15   19  113     40   58   66   70   74   80   85   89   91   92   93   94   96  102  104  106  107  108  109  111 
LCS_GDT     V   140_A     V   140_A     15   19  113     40   58   66   70   74   80   85   89   91   92   93   94   96  102  104  106  107  108  109  111 
LCS_GDT     V   141_A     V   141_A     15   19  113     40   58   66   70   74   80   85   89   91   92   93   94   96  102  104  106  107  108  109  111 
LCS_GDT     I   142_A     I   142_A     15   19  113     40   58   66   70   74   80   85   89   91   92   93   94   96  102  104  106  107  108  109  111 
LCS_GDT     N   143_A     N   143_A     15   19  113     40   58   66   70   74   80   85   89   91   92   93   94   96  102  104  106  107  108  109  111 
LCS_GDT     A   144_A     A   144_A     15   19  113     40   58   66   70   74   80   85   89   91   92   93   94   96  102  104  106  107  108  109  111 
LCS_GDT     S   145_A     S   145_A     15   19  113     15   58   66   70   74   80   85   89   91   92   93   94   96  102  104  106  107  108  109  111 
LCS_GDT     R   146_A     R   146_A     13   19  113      3    6   24   47   68   79   85   89   91   92   93   94   96  102  104  106  107  108  109  111 
LCS_GDT     H   147_A     H   147_A      5   19  113      3    5   16   32   50   72   84   88   91   92   93   94   96  102  104  106  107  108  109  111 
LCS_GDT     F   148_A     F   148_A      5   19  113      3    5    7    9   37   48   79   89   91   92   93   94   96  102  104  106  107  108  109  111 
LCS_GDT     C   149_A     C   149_A      5   19  113      3    5   13   61   69   79   85   89   91   92   93   94   96  102  104  106  107  108  109  111 
LCS_GDT     S   150_A     S   150_A      5   19  113      3    5   40   61   69   79   84   89   91   92   93   94   96  102  104  106  107  108  109  111 
LCS_GDT     A   151_A     A   151_A      5   10  113      3    5    8   28   45   63   80   86   87   90   93   94   96  102  104  106  107  108  109  111 
LCS_GDT     S   152_A     S   152_A      4   10  113      3    4    5    5   10   11   15   17   29   37   74   85   88   91   98  104  105  108  109  111 
LCS_GDT     C   153_A     C   153_A      4   12  113      3    3    7    9   12   16   23   68   72   83   89   93   96  102  104  106  107  108  109  111 
LCS_GDT     D   154_A     D   154_A     10   12  113      3   19   42   66   74   80   85   89   91   92   93   94   96  102  104  106  107  108  109  111 
LCS_GDT     C   155_A     C   155_A     10   12  113      3    7   19   36   68   75   85   89   91   92   93   94   96  102  104  106  107  108  109  111 
LCS_GDT     S   156_A     S   156_A     10   12  113      3    4   37   55   70   80   85   89   91   92   93   94   96  102  104  106  107  108  109  111 
LCS_GDT     G   157_A     G   157_A     10   12  113     27   58   66   70   74   80   85   89   91   92   93   94   96  102  104  106  107  108  109  111 
LCS_GDT     F   158_A     F   158_A     10   12  113     20   58   66   70   74   80   85   89   91   92   93   94   96  102  104  106  107  108  109  111 
LCS_GDT     V   159_A     V   159_A     10   12  113     40   58   66   70   74   80   85   89   91   92   93   94   96  102  104  106  107  108  109  111 
LCS_GDT     A   160_A     A   160_A     10   12  113     36   58   66   70   74   80   85   89   91   92   93   94   96  102  104  106  107  108  109  111 
LCS_GDT     V   161_A     V   161_A     10   12  113     27   58   66   70   74   80   85   89   91   92   93   94   96  102  104  106  107  108  109  111 
LCS_GDT     E   162_A     E   162_A     10   12  113     40   58   66   70   74   80   85   89   91   92   93   94   96  102  104  106  107  108  109  111 
LCS_GDT     H   163_A     H   163_A     10   12  113      5   44   66   70   74   80   85   89   91   92   93   94   96  102  104  106  107  108  109  111 
LCS_GDT     R   164_A     R   164_A      4   12  113      3   15   30   55   72   79   85   89   91   92   93   94   96  102  104  106  107  108  109  111 
LCS_GDT     C   165_A     C   165_A      4   12  113      3    4    4    7   10   23   28   37   55   71   81   91   96   98  104  106  107  108  109  111 
LCS_GDT     Q   166_A     Q   166_A      4   10  113      3    4    5   13   21   36   53   67   77   87   91   93   96  102  104  106  107  108  109  111 
LCS_GDT     N   167_A     N   167_A      4    9  113      3    4   11   16   28   38   60   73   83   87   91   94   96  102  104  106  107  108  109  111 
LCS_GDT     K   168_A     K   168_A      4   31  113      3    4    8   19   30   44   60   73   83   87   91   93   96  102  104  106  107  108  109  111 
LCS_GDT     I   169_A     I   169_A      4   46  113      4    9   24   41   56   69   78   86   90   91   93   94   96  102  104  106  107  108  109  111 
LCS_GDT     F   170_A     F   170_A     29   47  113     10   49   66   70   74   80   85   89   91   92   93   94   96  102  104  106  107  108  109  111 
LCS_GDT     Y   171_A     Y   171_A     29   47  113     40   58   66   70   74   80   85   89   91   92   93   94   96  102  104  106  107  108  109  111 
LCS_GDT     A   172_A     A   172_A     29   47  113     17   58   66   70   74   80   85   89   91   92   93   94   96  102  104  106  107  108  109  111 
LCS_GDT     L   173_A     L   173_A     29   47  113     25   58   66   70   74   80   85   89   91   92   93   94   96  102  104  106  107  108  109  111 
LCS_GDT     Y   174_A     Y   174_A     29   47  113     40   58   66   70   74   80   85   89   91   92   93   94   96  102  104  106  107  108  109  111 
LCS_GDT     G   175_A     G   175_A     29   47  113     39   58   66   70   74   80   85   89   91   92   93   94   96  102  104  106  107  108  109  111 
LCS_GDT     H   176_A     H   176_A     29   47  113     40   58   66   70   74   80   85   89   91   92   93   94   96  102  104  106  107  108  109  111 
LCS_GDT     V   177_A     V   177_A     29   47  113     20   58   66   70   74   80   85   89   91   92   93   94   96  102  104  106  107  108  109  111 
LCS_GDT     V   178_A     V   178_A     29   47  113     14   40   65   70   74   80   85   89   91   92   93   94   96  102  104  106  107  108  109  111 
LCS_GDT     P   179_A     P   179_A     29   47  113     20   58   66   70   74   80   85   89   91   92   93   94   96  102  104  106  107  108  109  111 
LCS_GDT     E   180_A     E   180_A     29   47  113     12   58   66   70   74   80   85   89   91   92   93   94   96  102  104  106  107  108  109  111 
LCS_GDT     A   181_A     A   181_A     29   47  113     20   58   66   70   74   80   85   89   91   92   93   94   96  102  104  106  107  108  109  111 
LCS_GDT     N   182_A     N   182_A     29   47  113     40   58   66   70   74   80   85   89   91   92   93   94   96  102  104  106  107  108  109  111 
LCS_GDT     I   183_A     I   183_A     29   47  113     40   58   66   70   74   80   85   89   91   92   93   94   96  102  104  106  107  108  109  111 
LCS_GDT     G   184_A     G   184_A     29   47  113     40   58   66   70   74   80   85   89   91   92   93   94   96  102  104  106  107  108  109  111 
LCS_GDT     K   185_A     K   185_A     29   47  113     40   58   66   70   74   80   85   89   91   92   93   94   96  102  104  106  107  108  109  111 
LCS_GDT     K   186_A     K   186_A     29   47  113     40   58   66   70   74   80   85   89   91   92   93   94   96  102  104  106  107  108  109  111 
LCS_GDT     V   187_A     V   187_A     29   47  113     40   58   66   70   74   80   85   89   91   92   93   94   96  102  104  106  107  108  109  111 
LCS_GDT     K   188_A     K   188_A     29   47  113     40   58   66   70   74   80   85   89   91   92   93   94   96  102  104  106  107  108  109  111 
LCS_GDT     A   189_A     A   189_A     29   47  113     40   58   66   70   74   80   85   89   91   92   93   94   96  102  104  106  107  108  109  111 
LCS_GDT     G   190_A     G   190_A     29   47  113     40   58   66   70   74   80   85   89   91   92   93   94   96  102  104  106  107  108  109  111 
LCS_GDT     E   191_A     E   191_A     29   47  113     40   58   66   70   74   80   85   89   91   92   93   94   96  102  104  106  107  108  109  111 
LCS_GDT     R   192_A     R   192_A     29   47  113     40   58   66   70   74   80   85   89   91   92   93   94   96  102  104  106  107  108  109  111 
LCS_GDT     I   193_A     I   193_A     29   47  113     40   58   66   70   74   80   85   89   91   92   93   94   96  102  104  106  107  108  109  111 
LCS_GDT     A   194_A     A   194_A     29   47  113     40   58   66   70   74   80   85   89   91   92   93   94   96  102  104  106  107  108  109  111 
LCS_GDT     S   195_A     S   195_A     29   47  113     40   58   66   70   74   80   85   89   91   92   93   94   96  102  104  106  107  108  109  111 
LCS_GDT     I   196_A     I   196_A     29   47  113     32   58   66   70   74   80   85   89   91   92   93   94   96  102  104  106  107  108  109  111 
LCS_GDT     G   197_A     G   197_A     29   47  113      4   37   65   70   73   80   85   89   91   92   93   94   96  102  104  106  107  108  109  111 
LCS_GDT     E   198_A     E   198_A     29   47  113      4   33   60   69   73   80   85   89   91   92   93   94   96  102  104  106  107  108  109  111 
LCS_GDT     Y   199_A     Y   199_A      5   47  113      4    5   15   38   69   79   85   89   91   92   93   94   96  102  104  106  107  108  109  111 
LCS_GDT     K   200_A     K   200_A      5   47  113      3    4    5    6   12   23   45   79   90   92   93   94   95   98  103  105  107  108  109  111 
LCS_GDT     C   201_A     C   201_A     13   47  113      4   10   25   62   74   80   85   89   91   92   93   94   96  102  104  106  107  108  109  111 
LCS_GDT     N   202_A     N   202_A     13   47  113      4    6   23   58   74   80   85   89   91   92   93   94   96  102  104  106  107  108  109  111 
LCS_GDT     S   203_A     S   203_A     13   47  113      5   21   54   69   74   80   85   89   91   92   93   94   96  102  104  106  107  108  109  111 
LCS_GDT     T   204_A     T   204_A     13   47  113      5   53   66   70   74   80   85   89   91   92   93   94   96  102  104  106  107  108  109  111 
LCS_GDT     S   205_A     S   205_A     13   47  113     12   54   66   70   74   80   85   89   91   92   93   94   96  102  104  106  107  108  109  111 
LCS_GDT     H   206_A     H   206_A     13   47  113     40   58   66   70   74   80   85   89   91   92   93   94   96  102  104  106  107  108  109  111 
LCS_GDT     L   207_A     L   207_A     13   47  113     40   58   66   70   74   80   85   89   91   92   93   94   96  102  104  106  107  108  109  111 
LCS_GDT     H   208_A     H   208_A     13   47  113     40   58   66   70   74   80   85   89   91   92   93   94   96  102  104  106  107  108  109  111 
LCS_GDT     L   209_A     L   209_A     13   47  113     40   58   66   70   74   80   85   89   91   92   93   94   96  102  104  106  107  108  109  111 
LCS_GDT     E   210_A     E   210_A     13   47  113     35   58   66   70   74   80   85   89   91   92   93   94   96  102  104  106  107  108  109  111 
LCS_GDT     I   211_A     I   211_A     13   47  113     34   58   66   70   74   80   85   89   91   92   93   94   96  102  104  106  107  108  109  111 
LCS_GDT     T   212_A     T   212_A     13   47  113     20   58   66   70   74   80   85   89   91   92   93   94   96  102  104  106  107  108  109  111 
LCS_GDT     L   213_A     L   213_A     13   47  113     33   58   66   70   74   80   85   89   91   92   93   94   96  102  104  106  107  108  109  111 
LCS_GDT     K   214_A     K   214_A     11   47  113      3    4   26   68   74   80   85   89   91   92   93   94   96  102  104  106  107  108  109  111 
LCS_GDT     N   215_A     N   215_A      5   47  113      4    5    7   12   28   57   68   87   91   92   93   94   96  102  104  106  107  108  109  111 
LCS_GDT     I   216_A     I   216_A      5   47  113      4   10   41   56   74   80   85   89   91   92   93   94   96  102  104  106  107  108  109  111 
LCS_GDT     Y   217_A     Y   217_A      5   14  113      4    5    6   10   12   18   22   31   52   74   86   91   93   95   97  105  107  108  109  111 
LCS_GDT     S   218_A     S   218_A      5    6  113      4    5    5    5    7    8   11   14   19   31   49   66   75   81   88   92   94   95  100  105 
LCS_GDT     N   219_A     N   219_A      5    6  113      4    5    5    7   10   10   10   13   23   25   31   36   42   44   71   77   82   85   90   95 
LCS_GDT     F   220_A     F   220_A      3    7  113      3    3    3    7   10   10   10   13   23   25   31   36   42   44   50   76   78   81   87   93 
LCS_GDT     P   221_A     P   221_A      4    7   91      3    4    4    7   10   10   10   13   15   19   19   21   27   32   36   41   51   58   76   85 
LCS_GDT     K   222_A     K   222_A      4    7   15      3    4    4    5    6    7    8    9   15   19   19   21   24   29   36   41   43   44   48   49 
LCS_GDT     N   223_A     N   223_A      4    7   15      3    4    4    5    6    7    8    9    9   19   19   21   27   32   36   41   43   45   62   65 
LCS_GDT     Y   224_A     Y   224_A      4    7   15      3    4    4    5    6    7    8   13   15   19   19   21   36   38   42   43   54   58   62   65 
LCS_GDT     P   225_A     P   225_A      3    7   15      3    3    3    5    6    7    8    9   15   19   19   21   27   32   42   43   54   58   62   65 
LCS_GDT     R   226_A     R   226_A      3    7   15      3    3    4    5    6    7    8    9   15   19   19   21   24   29   31   33   35   37   48   49 
LCS_AVERAGE  LCS_A:  10.54  (   3.18    5.76   22.69 )

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     40     58     66     70     74     80     85     89     91     92     93     94     96    102    104    106    107    108    109    111 
GDT PERCENT_AT  11.59  16.81  19.13  20.29  21.45  23.19  24.64  25.80  26.38  26.67  26.96  27.25  27.83  29.57  30.14  30.72  31.01  31.30  31.59  32.17
GDT RMS_LOCAL    0.33   0.52   0.70   0.82   1.11   1.36   1.59   1.82   1.97   2.05   2.15   2.23   2.84   3.74   3.71   3.93   3.98   4.06   4.21   4.52
GDT RMS_ALL_AT  26.68  26.73  26.70  26.73  26.75  26.81  26.81  26.79  26.84  26.86  26.81  26.80  26.81  26.34  26.43  26.39  26.41  26.46  26.42  26.33

# Checking swapping
#   possible swapping detected:  E    36_A      E    36_A
#   possible swapping detected:  Y    54_A      Y    54_A
#   possible swapping detected:  Y    61_A      Y    61_A
#   possible swapping detected:  F    80_A      F    80_A
#   possible swapping detected:  F    91_A      F    91_A
#   possible swapping detected:  D    99_A      D    99_A
#   possible swapping detected:  D   105_A      D   105_A
#   possible swapping detected:  F   114_A      F   114_A
#   possible swapping detected:  D   128_A      D   128_A
#   possible swapping detected:  F   148_A      F   148_A
#   possible swapping detected:  D   154_A      D   154_A
#   possible swapping detected:  E   162_A      E   162_A
#   possible swapping detected:  E   191_A      E   191_A
#   possible swapping detected:  E   198_A      E   198_A
#   possible swapping detected:  Y   199_A      Y   199_A
#   possible swapping detected:  E   210_A      E   210_A
#   possible swapping detected:  Y   217_A      Y   217_A
#   possible swapping detected:  F   220_A      F   220_A
#   possible swapping detected:  Y   224_A      Y   224_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    R    35_A      R    35_A    43.498     0    0.056   1.465    46.541    0.000    0.000
LGA    E    36_A      E    36_A    39.420     0    0.068   0.116    40.829    0.000    0.000
LGA    Q    37_A      Q    37_A    40.883     0    0.090   0.773    41.980    0.000    0.000
LGA    R    38_A      R    38_A    44.178     0    0.033   1.163    50.140    0.000    0.000
LGA    I    39_A      I    39_A    41.728     0    0.035   0.040    42.463    0.000    0.000
LGA    L    40_A      L    40_A    39.178     0    0.027   0.597    40.301    0.000    0.000
LGA    F    41_A      F    41_A    42.725     0    0.040   1.231    44.122    0.000    0.000
LGA    D    42_A      D    42_A    44.090     0    0.048   0.191    46.069    0.000    0.000
LGA    I    43_A      I    43_A    40.813     0    0.021   0.082    41.795    0.000    0.000
LGA    A    44_A      A    44_A    41.022     0    0.056   0.061    42.545    0.000    0.000
LGA    S    45_A      S    45_A    44.731     0    0.062   0.742    46.633    0.000    0.000
LGA    L    46_A      L    46_A    42.995     0    0.579   0.766    43.402    0.000    0.000
LGA    I    47_A      I    47_A    40.935     0    0.641   0.567    42.430    0.000    0.000
LGA    R    48_A      R    48_A    40.189     0    0.612   1.149    46.064    0.000    0.000
LGA    S    49_A      S    49_A    38.723     0    0.667   0.609    39.927    0.000    0.000
LGA    Y    50_A      Y    50_A    36.610     0    0.049   0.349    38.170    0.000    0.000
LGA    E    51_A      E    51_A    37.062     0    0.148   0.793    40.064    0.000    0.000
LGA    S    52_A      S    52_A    42.694     0    0.123   0.667    45.776    0.000    0.000
LGA    N    53_A      N    53_A    44.342     0    0.358   1.277    44.850    0.000    0.000
LGA    Y    54_A      Y    54_A    39.946     0    0.067   1.376    41.621    0.000    0.000
LGA    S    55_A      S    55_A    45.366     0    0.051   0.684    47.382    0.000    0.000
LGA    S    56_A      S    56_A    48.469     0    0.024   0.764    51.061    0.000    0.000
LGA    F    57_A      F    57_A    42.938     0    0.048   0.588    44.581    0.000    0.000
LGA    K    58_A      K    58_A    41.594     0    0.025   0.929    43.719    0.000    0.000
LGA    Q    59_A      Q    59_A    48.111     0    0.046   1.211    53.385    0.000    0.000
LGA    N    60_A      N    60_A    48.459     0    0.193   0.647    52.178    0.000    0.000
LGA    Y    61_A      Y    61_A    42.299     0    0.569   0.574    44.326    0.000    0.000
LGA    P    62_A      P    62_A    42.927     0    0.109   0.371    43.893    0.000    0.000
LGA    N    63_A      N    63_A    43.102     0    0.253   1.130    44.040    0.000    0.000
LGA    L    64_A      L    64_A    41.960     0    0.607   1.139    42.960    0.000    0.000
LGA    P    65_A      P    65_A    39.182     0    0.570   0.724    42.480    0.000    0.000
LGA    Q    66_A      Q    66_A    45.515     0    0.068   0.723    49.670    0.000    0.000
LGA    N    67_A      N    67_A    47.506     0    0.597   1.206    48.647    0.000    0.000
LGA    L    68_A      L    68_A    43.416     0    0.357   0.347    44.825    0.000    0.000
LGA    S    69_A      S    69_A    44.190     0    0.196   0.687    46.217    0.000    0.000
LGA    S    70_A      S    70_A    44.424     0    0.606   0.943    44.939    0.000    0.000
LGA    I    71_A      I    71_A    41.511     0    0.024   0.660    42.213    0.000    0.000
LGA    T    72_A      T    72_A    38.394     0    0.053   0.202    40.076    0.000    0.000
LGA    N    73_A      N    73_A    43.301     0    0.069   0.237    45.089    0.000    0.000
LGA    R    74_A      R    74_A    44.024     0    0.540   0.961    50.367    0.000    0.000
LGA    I    75_A      I    75_A    38.931     0    0.602   0.967    40.467    0.000    0.000
LGA    L    76_A      L    76_A    41.470     0    0.595   1.144    44.058    0.000    0.000
LGA    L    77_A      L    77_A    43.994     0    0.601   1.160    47.799    0.000    0.000
LGA    L    78_A      L    78_A    42.439     0    0.625   0.630    45.942    0.000    0.000
LGA    E    79_A      E    79_A    38.967     0    0.184   1.171    40.500    0.000    0.000
LGA    F    80_A      F    80_A    39.116     0    0.543   1.488    41.674    0.000    0.000
LGA    I    81_A      I    81_A    40.616     0    0.178   0.975    41.227    0.000    0.000
LGA    V    82_A      V    82_A    37.820     0    0.594   0.615    39.647    0.000    0.000
LGA    N    83_A      N    83_A    34.330     0    0.688   0.575    36.980    0.000    0.000
LGA    T    84_A      T    84_A    36.992     0    0.194   1.067    38.780    0.000    0.000
LGA    N    85_A      N    85_A    42.482     0    0.526   0.959    46.196    0.000    0.000
LGA    P    86_A      P    86_A    47.716     0    0.282   0.525    51.817    0.000    0.000
LGA    Q    87_A      Q    87_A    52.060     0    0.056   1.337    54.414    0.000    0.000
LGA    K    88_A      K    88_A    50.772     0    0.673   0.931    51.955    0.000    0.000
LGA    L    89_A      L    89_A    54.343     0    0.084   1.351    55.006    0.000    0.000
LGA    N    90_A      N    90_A    56.784     0    0.519   0.669    59.069    0.000    0.000
LGA    F    91_A      F    91_A    57.341     0    0.604   0.908    57.341    0.000    0.000
LGA    A    92_A      A    92_A    57.012     0    0.666   0.647    57.115    0.000    0.000
LGA    R    93_A      R    93_A    56.524     0    0.627   1.330    63.887    0.000    0.000
LGA    S    94_A      S    94_A    55.949     0    0.554   0.727    58.217    0.000    0.000
LGA    K    95_A      K    95_A    50.043     0    0.629   1.230    52.552    0.000    0.000
LGA    I    96_A      I    96_A    44.276     0    0.620   0.631    46.691    0.000    0.000
LGA    L    97_A      L    97_A    43.636     0    0.031   1.264    49.425    0.000    0.000
LGA    S    98_A      S    98_A    39.623     0    0.654   0.641    41.526    0.000    0.000
LGA    D    99_A      D    99_A    34.799     0    0.610   1.188    37.478    0.000    0.000
LGA    R   100_A      R   100_A    31.087     0    0.601   1.037    33.005    0.000    0.000
LGA    S   101_A      S   101_A    28.650     0    0.127   0.412    31.233    0.000    0.000
LGA    K   102_A      K   102_A    27.391     0    0.609   1.456    30.447    0.000    0.000
LGA    L   103_A      L   103_A    22.731     0    0.622   0.688    24.533    0.000    0.000
LGA    I   104_A      I   104_A    24.196     0    0.202   1.176    28.618    0.000    0.000
LGA    D   105_A      D   105_A    21.910     0    0.121   1.258    22.498    0.000    0.000
LGA    K   106_A      K   106_A    20.400     0    0.639   1.138    25.578    0.000    0.000
LGA    S   107_A      S   107_A    17.855     0    0.616   0.772    19.761    0.000    0.000
LGA    N   108_A      N   108_A    14.073     0    0.041   0.184    19.862    0.000    0.000
LGA    F   109_A      F   109_A    11.634     0    0.639   0.853    21.086    1.905    0.693
LGA    K   110_A      K   110_A     4.321     0    0.493   0.905     7.033   30.476   28.783
LGA    Y   111_A      Y   111_A     2.400     0    0.155   1.002    11.558   63.333   30.198
LGA    I   112_A      I   112_A     2.647     0    0.350   1.252     6.381   71.310   49.583
LGA    S   113_A      S   113_A     1.530     0    0.182   0.730     2.464   81.786   76.111
LGA    F   114_A      F   114_A     1.199     0    0.221   1.129     6.553   85.952   55.411
LGA    H   115_A      H   115_A     0.638     0    0.166   1.216     4.466   90.595   70.524
LGA    P   116_A      P   116_A     0.419     0    0.133   0.162     0.923  100.000   95.918
LGA    G   117_A      G   117_A     0.394     0    0.072   0.072     0.678   97.619   97.619
LGA    V   118_A      V   118_A     0.284     0    0.111   1.073     2.300   97.619   88.571
LGA    D   119_A      D   119_A     0.419     0    0.025   0.065     0.469  100.000  100.000
LGA    I   120_A      I   120_A     0.425     0    0.016   0.084     1.243   97.619   91.786
LGA    N   121_A      N   121_A     0.225     0    0.127   1.320     3.798   92.976   78.750
LGA    Y   122_A      Y   122_A     2.741     0    0.536   1.294    13.232   52.857   25.119
LGA    G   123_A      G   123_A     3.133     0    0.641   0.641     6.887   37.381   37.381
LGA    S   124_A      S   124_A    10.613     0    0.399   0.635    12.513    1.786    1.190
LGA    E   125_A      E   125_A    13.061     0    0.485   1.002    14.377    0.000    0.053
LGA    N   126_A      N   126_A    15.256     0    0.312   0.308    20.452    0.000    0.000
LGA    Q   127_A      Q   127_A    12.722     0    0.631   1.209    18.174    0.714    0.317
LGA    D   128_A      D   128_A    10.266     0    0.187   1.126    13.140    1.310    0.655
LGA    F   129_A      F   129_A    11.675     0    0.652   1.415    16.692    0.238    0.087
LGA    G   130_A      G   130_A     8.975     0    0.214   0.214     9.622    9.405    9.405
LGA    L   131_A      L   131_A     1.789     0    0.644   0.529     4.745   61.905   60.238
LGA    P   132_A      P   132_A     0.826     0    0.050   0.281     1.018   90.476   89.184
LGA    V   133_A      V   133_A     0.674     0    0.050   0.071     0.833   90.476   94.558
LGA    Y   134_A      Y   134_A     0.987     0    0.047   0.483     2.542   90.476   81.111
LGA    A   135_A      A   135_A     0.380     0    0.029   0.036     0.529   97.619   98.095
LGA    V   136_A      V   136_A     0.273     0    0.094   1.300     2.569   97.619   87.483
LGA    T   137_A      T   137_A     0.400     0    0.068   1.007     2.882  100.000   89.864
LGA    D   138_A      D   138_A     0.119     0    0.052   0.178     1.045  100.000   95.298
LGA    G   139_A      G   139_A     0.412     0    0.038   0.038     0.551   95.238   95.238
LGA    V   140_A      V   140_A     0.805     0    0.029   1.145     3.599   90.476   78.776
LGA    V   141_A      V   141_A     0.854     0    0.034   0.052     1.068   88.214   89.184
LGA    I   142_A      I   142_A     1.250     0    0.022   0.035     1.418   81.429   81.429
LGA    N   143_A      N   143_A     1.074     0    0.084   0.440     2.925   83.690   76.369
LGA    A   144_A      A   144_A     1.227     0    0.314   0.356     2.193   77.262   78.095
LGA    S   145_A      S   145_A     0.786     0    0.054   0.588     3.263   82.024   76.587
LGA    R   146_A      R   146_A     3.817     0    0.574   1.557     5.687   39.762   36.407
LGA    H   147_A      H   147_A     4.720     0    0.232   0.982    11.670   38.810   17.429
LGA    F   148_A      F   148_A     4.553     0    0.350   1.167     5.300   40.476   37.013
LGA    C   149_A      C   149_A     3.316     0    0.047   0.843     6.430   48.333   41.270
LGA    S   150_A      S   150_A     3.840     0    0.657   0.573     7.619   30.000   31.587
LGA    A   151_A      A   151_A     6.414     0    0.377   0.473     7.473   20.357   18.286
LGA    S   152_A      S   152_A    11.396     0    0.591   0.603    15.724    0.238    0.159
LGA    C   153_A      C   153_A     8.454     0    0.653   0.854    11.936   13.452    8.968
LGA    D   154_A      D   154_A     2.803     0    0.283   1.453     6.860   38.333   32.679
LGA    C   155_A      C   155_A     3.918     0    0.618   0.925     5.127   51.905   46.190
LGA    S   156_A      S   156_A     3.420     0    0.321   0.855     7.209   53.810   41.905
LGA    G   157_A      G   157_A     0.571     0    0.311   0.311     1.077   85.952   85.952
LGA    F   158_A      F   158_A     0.655     0    0.146   1.135     6.036   90.476   67.013
LGA    V   159_A      V   159_A     0.272     0    0.022   0.044     0.713  100.000   95.918
LGA    A   160_A      A   160_A     0.465     0    0.028   0.045     0.688   95.238   94.286
LGA    V   161_A      V   161_A     0.937     0    0.065   0.075     0.985   90.476   90.476
LGA    E   162_A      E   162_A     0.874     0    0.093   0.877     3.065   90.476   79.101
LGA    H   163_A      H   163_A     1.337     0    0.610   0.957     3.042   77.381   70.810
LGA    R   164_A      R   164_A     4.516     0    0.022   0.522     8.996   21.905   31.169
LGA    C   165_A      C   165_A    11.455     0    0.332   0.794    15.037    0.714    0.476
LGA    Q   166_A      Q   166_A    11.232     0    0.259   0.794    14.040    0.357    0.159
LGA    N   167_A      N   167_A     9.413     0    0.198   1.379    12.364    2.857    1.786
LGA    K   168_A      K   168_A     9.804     0    0.172   0.729    17.415    2.500    1.111
LGA    I   169_A      I   169_A     6.185     0    0.030   0.298     9.115   21.786   16.607
LGA    F   170_A      F   170_A     1.778     0    0.152   1.204     9.001   69.286   39.524
LGA    Y   171_A      Y   171_A     0.842     0    0.013   0.082     2.603   90.476   77.500
LGA    A   172_A      A   172_A     1.078     0    0.051   0.063     1.233   88.214   86.857
LGA    L   173_A      L   173_A     0.838     0    0.061   1.283     4.656   88.214   69.881
LGA    Y   174_A      Y   174_A     0.289     0    0.069   0.077     1.372  100.000   92.183
LGA    G   175_A      G   175_A     0.692     0    0.105   0.105     0.692   90.476   90.476
LGA    H   176_A      H   176_A     0.803     0    0.197   0.278     1.558   88.214   83.333
LGA    V   177_A      V   177_A     1.462     0    0.697   0.641     3.357   73.571   70.952
LGA    V   178_A      V   178_A     1.653     0    0.211   1.115     2.803   68.929   67.211
LGA    P   179_A      P   179_A     0.820     0    0.031   0.164     1.589   83.810   84.082
LGA    E   180_A      E   180_A     1.434     0    0.369   1.181     2.615   81.548   77.937
LGA    A   181_A      A   181_A     1.420     0    0.256   0.337     2.344   77.381   76.476
LGA    N   182_A      N   182_A     1.173     0    0.036   0.265     1.993   81.429   78.214
LGA    I   183_A      I   183_A     1.117     0    0.042   0.195     1.138   81.429   82.560
LGA    G   184_A      G   184_A     1.055     0    0.033   0.033     1.135   81.429   81.429
LGA    K   185_A      K   185_A     0.957     0    0.028   0.787     3.483   85.952   78.995
LGA    K   186_A      K   186_A     0.865     0    0.148   0.788     1.779   88.214   83.545
LGA    V   187_A      V   187_A     0.695     0    0.060   0.059     0.788   90.476   91.837
LGA    K   188_A      K   188_A     0.733     0    0.059   0.580     2.353   90.476   88.677
LGA    A   189_A      A   189_A     0.555     0    0.046   0.061     0.715   90.476   90.476
LGA    G   190_A      G   190_A     0.663     0    0.064   0.064     1.035   88.214   88.214
LGA    E   191_A      E   191_A     0.791     0    0.046   0.295     1.463   90.476   89.471
LGA    R   192_A      R   192_A     0.885     0    0.051   0.938     2.476   90.476   84.978
LGA    I   193_A      I   193_A     0.857     0    0.027   0.055     0.940   90.476   90.476
LGA    A   194_A      A   194_A     0.967     0    0.028   0.036     0.993   90.476   90.476
LGA    S   195_A      S   195_A     1.050     0    0.067   0.562     2.791   81.429   78.889
LGA    I   196_A      I   196_A     1.452     0    0.045   0.893     3.044   77.143   71.131
LGA    G   197_A      G   197_A     2.428     0    0.141   0.141     2.428   66.786   66.786
LGA    E   198_A      E   198_A     2.893     0    0.394   0.885     5.278   66.905   51.376
LGA    Y   199_A      Y   199_A     3.709     0    0.324   1.108    14.341   40.238   16.667
LGA    K   200_A      K   200_A     5.875     0    0.202   0.944    14.232   24.048   12.116
LGA    C   201_A      C   201_A     3.005     0    0.096   0.707     3.709   53.571   53.730
LGA    N   202_A      N   202_A     2.923     0    0.059   0.902     3.990   59.167   56.429
LGA    S   203_A      S   203_A     2.107     0    0.092   0.689     3.100   73.095   67.857
LGA    T   204_A      T   204_A     1.211     0    0.086   0.901     3.617   79.286   73.537
LGA    S   205_A      S   205_A     1.826     0    0.037   0.639     4.408   77.143   68.413
LGA    H   206_A      H   206_A     0.821     0    0.075   0.789     2.404   88.214   85.381
LGA    L   207_A      L   207_A     0.433     0    0.020   0.079     0.580   97.619   97.619
LGA    H   208_A      H   208_A     0.310     0    0.076   0.233     0.970   97.619   99.048
LGA    L   209_A      L   209_A     0.173     0    0.025   0.104     0.987  100.000   96.429
LGA    E   210_A      E   210_A     0.612     0    0.043   0.169     0.865   92.857   91.534
LGA    I   211_A      I   211_A     0.643     0    0.025   0.610     1.622   90.476   88.274
LGA    T   212_A      T   212_A     1.110     0    0.076   1.086     3.325   90.595   80.952
LGA    L   213_A      L   213_A     0.409     0    0.628   0.786     3.795   80.476   77.381
LGA    K   214_A      K   214_A     2.466     0    0.450   0.803     6.599   53.452   38.307
LGA    N   215_A      N   215_A     6.448     0    0.258   1.062    13.627   21.667   11.012
LGA    I   216_A      I   216_A     3.523     0    0.188   1.259     5.562   29.405   41.429
LGA    Y   217_A      Y   217_A     9.696     0    0.248   1.336    13.577    1.905    0.635
LGA    S   218_A      S   218_A    13.877     0    0.170   0.739    14.964    0.000    0.000
LGA    N   219_A      N   219_A    16.619     0    0.617   1.157    21.677    0.000    0.000
LGA    F   220_A      F   220_A    17.020     0    0.170   1.231    20.135    0.000    0.000
LGA    P   221_A      P   221_A    20.719     0    0.246   0.418    22.618    0.000    0.000
LGA    K   222_A      K   222_A    25.378     0    0.018   0.892    35.538    0.000    0.000
LGA    N   223_A      N   223_A    24.120     0    0.126   0.259    27.096    0.000    0.000
LGA    Y   224_A      Y   224_A    21.758     0    0.671   1.172    25.044    0.000    0.000
LGA    P   225_A      P   225_A    23.484     0    0.079   0.135    26.264    0.000    0.000
LGA    R   226_A      R   226_A    30.462     0    0.566   1.685    38.666    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      192     768    768  100.00    1541   1541  100.00               345
SUMMARY(RMSD_GDC):    22.174         22.200                 22.625           20.813   19.180

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  192  345    4.0     89    1.82    23.406    19.330     4.647

LGA_LOCAL      RMSD:   1.815  Number of atoms:   89  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  26.785  Number of assigned atoms:  192 
Std_ASGN_ATOMS RMSD:  22.174  Standard rmsd on all 192 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.725599 * X  +  -0.174194 * Y  +   0.665704 * Z  +  30.918821
  Y_new =   0.106085 * X  +  -0.984180 * Y  +  -0.141899 * Z  +  -9.451690
  Z_new =   0.679891 * X  +  -0.032341 * Y  +   0.732600 * Z  +  40.588821 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.996418 -0.747614 -0.044117   [DEG:  171.6821  -42.8351   -2.5277 ]
ZXZ:  1.360783  0.748663  1.618328   [DEG:   77.9671   42.8952   92.7234 ]
 
# END of job
