
#######################################################
#                                                     #
#                        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  126 (  991),  selected  124 , name one
# Molecule2: number of CA atoms  124 (  971),  selected  124 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:F  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    88       1_A - 88_A        4.62     7.24
  LCS_AVERAGE:     56.87

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    75       1_A - 75_A        1.85     7.45
  LONGEST_CONTINUOUS_SEGMENT:    75       2_A - 76_A        1.89     7.47
  LONGEST_CONTINUOUS_SEGMENT:    75       3_A - 77_A        1.89     7.48
  LCS_AVERAGE:     41.73

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    70       3_A - 72_A        0.99     7.33
  LCS_AVERAGE:     35.83

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  124
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     M     1_F     M     1_A      4   75   88      3    4    4    4    5   30   54   61   70   87   91   94   95   99  101  104  106  107  110  111 
LCS_GDT     F     2_F     F     2_A      4   75   88      3    4    4    4    5   39   54   61   84   89   91   95   98  100  102  104  106  107  110  111 
LCS_GDT     T     3_F     T     3_A     70   75   88      5   44   69   81   84   86   89   91   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     G     4_F     G     4_A     70   75   88     15   53   70   81   84   86   89   91   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     W     5_F     W     5_A     70   75   88     34   64   74   81   84   86   89   91   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     S     6_F     S     6_A     70   75   88     45   64   74   81   84   86   89   91   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     P     7_F     P     7_A     70   75   88     46   64   74   81   84   86   89   91   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     F     8_F     F     8_A     70   75   88     46   64   74   81   84   86   89   91   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     K     9_F     K     9_A     70   75   88     46   64   74   81   84   86   89   91   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     Y    10_F     Y    10_A     70   75   88     35   64   74   81   84   86   89   91   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     S    11_F     S    11_A     70   75   88     46   64   74   81   84   86   89   91   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     K    12_F     K    12_A     70   75   88     38   64   74   81   84   86   89   91   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     G    13_F     G    13_A     70   75   88     25   64   74   81   84   86   89   91   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     N    14_F     N    14_A     70   75   88      9   64   74   81   84   86   89   91   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     T    15_F     T    15_A     70   75   88     18   61   74   81   84   86   89   91   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     V    16_F     V    16_A     70   75   88     10   24   51   80   84   86   89   91   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     T    17_F     T    17_A     70   75   88     10   29   70   81   84   86   89   91   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     F    18_F     F    18_A     70   75   88     10   53   74   81   84   86   89   91   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     K    19_F     K    19_A     70   75   88      9   53   74   81   84   86   89   91   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     T    20_F     T    20_A     70   75   88     12   64   74   81   84   86   89   91   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     P    21_F     P    21_A     70   75   88     10   34   74   81   84   86   89   91   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     D    22_F     D    22_A     70   75   88     10   41   73   81   84   86   89   91   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     E    23_F     E    23_A     70   75   88      5   28   72   81   84   86   89   91   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     S    24_F     S    24_A     70   75   88      4   49   74   81   84   86   89   91   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     S    25_F     S    25_A     70   75   88     15   64   74   81   84   86   89   91   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     I    26_F     I    26_A     70   75   88     15   64   74   81   84   86   89   91   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     A    27_F     A    27_A     70   75   88     22   64   74   81   84   86   89   91   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     Y    28_F     Y    28_A     70   75   88     46   64   74   81   84   86   89   91   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     M    29_F     M    29_A     70   75   88     46   64   74   81   84   86   89   91   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     R    30_F     R    30_A     70   75   88     46   64   74   81   84   86   89   91   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     F    31_F     F    31_A     70   75   88     46   64   74   81   84   86   89   91   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     R    32_F     R    32_A     70   75   88     46   64   74   81   84   86   89   91   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     N    33_F     N    33_A     70   75   88     46   64   74   81   84   86   89   91   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     C    34_F     C    34_A     70   75   88     46   64   74   81   84   86   89   91   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     V    35_F     V    35_A     70   75   88     46   64   74   81   84   86   89   91   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     F    36_F     F    36_A     70   75   88     46   64   74   81   84   86   89   91   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     T    37_F     T    37_A     70   75   88     46   64   74   81   84   86   89   91   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     F    38_F     F    38_A     70   75   88     46   64   74   81   84   86   89   91   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     T    39_F     T    39_A     70   75   88     46   64   74   81   84   86   89   91   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     D    40_F     D    40_A     70   75   88     46   64   74   81   84   86   89   91   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     P    41_F     P    41_A     70   75   88     46   64   74   81   84   86   89   91   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     K    42_F     K    42_A     70   75   88     46   64   74   81   84   86   89   91   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     G    43_F     G    43_A     70   75   88     45   64   74   81   84   86   89   91   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     S    44_F     S    44_A     70   75   88     45   64   74   81   84   86   89   91   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     L    45_F     L    45_A     70   75   88     46   64   74   81   84   86   89   91   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     H    46_F     H    46_A     70   75   88     46   64   74   81   84   86   89   91   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     S    47_F     S    47_A     70   75   88     46   64   74   81   84   86   89   91   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     I    48_F     I    48_A     70   75   88     37   64   74   81   84   86   89   91   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     D    49_F     D    49_A     70   75   88     46   64   74   81   84   86   89   91   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     V    50_F     V    50_A     70   75   88     46   64   74   81   84   86   89   91   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     T    51_F     T    51_A     70   75   88     46   64   74   81   84   86   89   91   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     E    52_F     E    52_A     70   75   88     46   64   74   81   84   86   89   91   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     V    53_F     V    53_A     70   75   88     46   64   74   81   84   86   89   91   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     L    54_F     L    54_A     70   75   88     46   64   74   81   84   86   89   91   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     N    55_F     N    55_A     70   75   88     46   64   74   81   84   86   89   91   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     N    56_F     N    56_A     70   75   88     41   64   74   81   84   86   89   91   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     M    57_F     M    57_A     70   75   88     41   64   74   81   84   86   89   91   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     A    58_F     A    58_A     70   75   88     46   64   74   81   84   86   89   91   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     K    59_F     K    59_A     70   75   88     46   64   74   81   84   86   89   91   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     G    60_F     G    60_A     70   75   88     46   64   74   81   84   86   89   91   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     F    61_F     F    61_A     70   75   88     46   64   74   81   84   86   89   91   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     R    62_F     R    62_A     70   75   88     46   64   74   81   84   86   89   91   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     D    63_F     D    63_A     70   75   88     39   64   74   81   84   86   89   91   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     A    64_F     A    64_A     70   75   88     21   63   74   81   84   86   89   91   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     Q    65_F     Q    65_A     70   75   88      6   52   72   81   84   86   89   91   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     N    66_F     N    66_A     70   75   88     24   63   74   81   84   86   89   91   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     P    67_F     P    67_A     70   75   88     14   64   74   81   84   86   89   91   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     P    68_F     P    68_A     70   75   88     10   64   74   81   84   86   89   91   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     S    69_F     S    69_A     70   75   88     46   64   74   81   84   86   89   91   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     S    70_F     S    70_A     70   75   88     33   64   74   81   84   86   89   91   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     F    71_F     F    71_A     70   75   88     10   53   74   81   84   86   89   91   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     T    72_F     T    72_A     70   75   88     10   50   71   81   84   86   89   91   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     L    73_F     L    73_A     69   75   88     10   24   45   77   84   86   89   91   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     G    74_F     G    74_A     51   75   88      5   24   31   55   78   85   87   90   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     G    75_F     G    75_A      4   75   88      3    4    7   20   30   39   44   53   73   83   91   94   95   99  102  104  106  107  110  111 
LCS_GDT     H    76_F     H    76_A      4   75   88      3    4   10   20   34   39   48   65   80   83   91   94   95   99  102  104  106  107  110  111 
LCS_GDT     C    77_F     C    77_A      3   75   88      3    3   12   15   21   26   69   81   88   90   92   95   98  100  102  104  106  107  110  111 
LCS_GDT     Q    78_F     Q    78_A      3    5   88      3    3    4    4    5    5    6   11   14   89   91   96   98  100  102  104  106  107  110  111 
LCS_GDT     A    79_F     A    79_A      3    5   88      3    3    4    6    9   10   10   12   14   19   22   24   27   37  101  104  106  107  110  111 
LCS_GDT     P    80_F     P    80_A      3    7   88      3    3    3    5    6    7    9   11   11   15   18   21   22   25   28   28   30   33   34   36 
LCS_GDT     L    81_F     L    81_A      5    7   88      4    5    5    6    6    7    9   11   13   15   17   21   22   25   28   28   30   38  105  107 
LCS_GDT     N    82_F     N    82_A      5    7   88      4    5    5    6    9   10   10   12   14   83   88   91   96   99  101  104  106  107  110  111 
LCS_GDT     A    83_F     A    83_A      5    7   88      4    5   12   26   45   66   82   90   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     F    84_F     F    84_A      5    7   88      4    7   23   38   71   85   89   91   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     S    85_F     S    85_A      8    8   88      4    6   10   21   39   63   84   90   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     F    86_F     F    86_A      8    8   88      3    6    8    8    9   11   25   32   43   61   91   96   97   99  101  102  105  107  110  111 
LCS_GDT     V    87_F     V    87_A      8    8   88      5    6    8    8   11   13   16   17   17   20   26   31   38   44   50   62   70   79   92   99 
LCS_GDT     L    88_F     L    88_A      8    8   88      5    6    8    8    9   10   12   15   16   19   22   24   26   28   33   38   48   51   57   61 
LCS_GDT     P    89_F     P    89_A      8    8   19      5    6    8    8    9   10   11   12   14   15   17   20   24   25   28   30   32   36   40   47 
LCS_GDT     G    90_F     G    90_A      8    8   19      5    6    8    8    9   10   11   12   14   15   17   20   21   23   24   27   31   32   35   37 
LCS_GDT     V    91_F     V    91_A      8    8   19      5    6    8    8    9   10   11   12   14   15   17   20   21   23   25   27   31   34   37   41 
LCS_GDT     N    92_F     N    92_A      8    8   22      4    6    8    8    9   10   11   12   14   15   17   20   21   25   28   35   37   40   46   51 
LCS_GDT     D    93_F     D    93_A      4    5   25      4    4    4    5    5    6    8   12   15   19   27   34   41   48   56   66   73   88   92  103 
LCS_GDT     R    94_F     R    94_A      4    5   27      4    4    4    5    5   13   16   18   27   32   40   50   57   70   87   95  100  104  107  110 
LCS_GDT     A    95_F     A    95_A      3    5   28      3    3    4    7   11   13   16   17   20   25   29   35   39   49   59   64   74   85   91  102 
LCS_GDT     T    96_F     T    96_A      3    4   29      3    3    3    8    9   13   16   18   23   31   35   47   54   66   84   95  100  104  107  110 
LCS_GDT     V    97_F     V    97_A      3   15   29      3    3    3    4    6   13   17   25   29   38   45   56   70   92   97  102  103  106  107  110 
LCS_GDT     A    98_F     A    98_A     12   16   29      3    6    8   14   18   20   29   34   42   47   56   76   94  100  101  103  104  107  110  111 
LCS_GDT     T    99_F     T    99_A     13   16   29      6   11   18   22   27   31   38   46   66   83   93   96   99  100  101  103  105  107  110  111 
LCS_GDT     A   100_F     A   100_A     13   16   29      6   11   18   24   28   40   52   77   88   93   95   97   99  100  101  104  106  107  110  111 
LCS_GDT     D   101_F     D   101_A     13   16   29      6   11   18   23   28   35   49   66   86   93   95   97   99  100  101  104  106  107  110  111 
LCS_GDT     E   102_F     E   102_A     13   16   29      6   11   18   23   28   35   51   82   88   93   95   97   99  100  101  104  106  107  110  111 
LCS_GDT     A   103_F     A   103_A     13   19   29      6   12   18   24   37   57   74   91   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     K   104_F     K   104_A     13   19   29      6   12   20   40   58   71   86   91   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     K   105_F     K   105_A     13   19   29      6   12   18   38   57   76   86   91   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     W   106_F     W   106_A     13   19   29      6   12   22   48   80   86   89   91   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     E   107_F     E   107_A     14   19   29      6   16   41   66   82   86   89   91   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     N   108_F     N   108_A     14   19   29      4   16   38   66   82   86   89   91   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     C   109_F     C   109_A     14   19   29      5   53   70   81   84   86   89   91   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     D   110_F     D   110_A     14   19   29     46   64   74   81   84   86   89   91   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     A   111_F     A   111_A     14   19   29     46   64   74   81   84   86   89   91   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     T   112_F     T   112_A     14   19   29     46   64   74   81   84   86   89   91   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     L   113_F     L   113_A     14   19   29     46   64   74   81   84   86   89   91   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     T   114_F     T   114_A     14   19   29     46   64   74   81   84   86   89   91   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     G   115_F     G   115_A     14   19   29     46   64   74   81   84   86   89   91   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     L   116_F     L   116_A     14   19   29     46   64   74   81   84   86   89   91   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     Q   117_F     Q   117_A     14   19   29     46   64   74   81   84   86   89   91   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     R   118_F     R   118_A     14   19   29     46   64   74   81   84   86   89   91   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     I   119_F     I   119_A     14   19   29     46   64   74   81   84   86   89   91   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     I   120_F     I   120_A     14   19   29     46   64   74   81   84   86   89   91   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     H   121_F     H   121_A     14   19   29     18   64   74   81   84   86   89   91   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     H   122_F     H   122_A     14   19   29      3   15   39   80   84   86   89   90   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     H   123_F     H   123_A     12   19   29      3    9   44   77   84   86   88   90   93   96   96   97   99  100  102  104  106  107  110  111 
LCS_GDT     H   124_F     H   124_A      8   19   29      0    3   12   21   54   72   87   88   90   92   96   97   99  100  102  104  106  107  110  111 
LCS_AVERAGE  LCS_A:  44.81  (  35.83   41.73   56.87 )

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     46     64     74     81     84     86     89     91     93     96     96     97     99    100    102    104    106    107    110    111 
GDT PERCENT_AT  37.10  51.61  59.68  65.32  67.74  69.35  71.77  73.39  75.00  77.42  77.42  78.23  79.84  80.65  82.26  83.87  85.48  86.29  88.71  89.52
GDT RMS_LOCAL    0.32   0.50   0.72   0.90   1.00   1.10   1.33   1.62   1.64   1.90   1.90   1.98   2.37   2.34   2.63   2.85   3.07   3.17   3.50   3.60
GDT RMS_ALL_AT   7.29   7.30   7.31   7.31   7.32   7.34   7.26   7.22   7.24   7.20   7.20   7.22   7.21   7.27   7.30   7.28   7.27   7.22   7.23   7.24

# Checking swapping
#   possible swapping detected:  F     2_F      F     2_A
#   possible swapping detected:  F     8_F      F     8_A
#   possible swapping detected:  Y    10_F      Y    10_A
#   possible swapping detected:  E    23_F      E    23_A
#   possible swapping detected:  Y    28_F      Y    28_A
#   possible swapping detected:  F    36_F      F    36_A
#   possible swapping detected:  F    71_F      F    71_A
#   possible swapping detected:  F    84_F      F    84_A
#   possible swapping detected:  D   101_F      D   101_A
#   possible swapping detected:  E   102_F      E   102_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    M     1_F      M     1_A     8.774     0    0.053   0.887    10.569    3.690   14.762
LGA    F     2_F      F     2_A     7.678     0    0.030   1.381    12.651   20.119    7.446
LGA    T     3_F      T     3_A     2.084     0    0.695   1.038     6.380   68.452   51.361
LGA    G     4_F      G     4_A     1.273     0    0.151   0.151     1.284   85.952   85.952
LGA    W     5_F      W     5_A     0.456     0    0.078   0.133     0.686   95.238   96.599
LGA    S     6_F      S     6_A     0.465     0    0.025   0.242     0.916  100.000   96.825
LGA    P     7_F      P     7_A     0.517     0    0.024   0.223     0.761   97.619   94.558
LGA    F     8_F      F     8_A     0.405     0    0.045   0.172     0.645  100.000   96.537
LGA    K     9_F      K     9_A     0.419     0    0.028   0.398     2.355   97.619   92.910
LGA    Y    10_F      Y    10_A     0.518     0    0.075   1.373     9.387   97.619   55.437
LGA    S    11_F      S    11_A     0.311     0    0.121   0.595     1.989   97.619   93.889
LGA    K    12_F      K    12_A     0.526     0    0.020   0.355     1.017   92.857   91.587
LGA    G    13_F      G    13_A     1.614     0    0.051   0.051     2.055   72.976   72.976
LGA    N    14_F      N    14_A     1.635     0    0.099   0.233     2.523   72.857   68.869
LGA    T    15_F      T    15_A     1.919     0    0.058   1.135     3.475   68.810   67.347
LGA    V    16_F      V    16_A     3.000     0    0.055   0.231     4.613   57.143   49.524
LGA    T    17_F      T    17_A     2.295     0    0.053   0.080     2.521   62.857   64.830
LGA    F    18_F      F    18_A     1.658     0    0.029   0.166     1.903   72.857   77.532
LGA    K    19_F      K    19_A     1.426     0    0.036   0.899     2.296   81.548   77.725
LGA    T    20_F      T    20_A     0.665     0    0.073   0.149     1.623   83.810   88.027
LGA    P    21_F      P    21_A     1.654     0    0.026   0.306     2.114   72.976   77.959
LGA    D    22_F      D    22_A     2.047     0    0.056   0.068     2.566   64.881   69.940
LGA    E    23_F      E    23_A     1.938     0    0.089   0.376     4.129   70.833   58.677
LGA    S    24_F      S    24_A     1.772     0    0.128   0.159     1.891   77.143   75.714
LGA    S    25_F      S    25_A     1.255     0    0.053   0.155     1.622   81.429   78.571
LGA    I    26_F      I    26_A     1.042     0    0.065   0.193     1.417   85.952   83.690
LGA    A    27_F      A    27_A     0.930     0    0.025   0.034     1.097   88.214   88.667
LGA    Y    28_F      Y    28_A     0.418     0    0.045   0.419     1.869   97.619   88.413
LGA    M    29_F      M    29_A     0.511     0    0.035   1.017     1.952   97.619   88.512
LGA    R    30_F      R    30_A     0.457     0    0.108   0.126     0.571  100.000   94.805
LGA    F    31_F      F    31_A     0.705     0    0.041   0.084     0.882   90.476   91.342
LGA    R    32_F      R    32_A     0.606     0    0.010   0.421     1.344   90.476   88.831
LGA    N    33_F      N    33_A     0.699     0    0.019   0.218     1.208   90.476   90.536
LGA    C    34_F      C    34_A     0.627     0    0.165   0.198     1.269   88.214   90.556
LGA    V    35_F      V    35_A     0.330     0    0.078   0.073     0.642   97.619   98.639
LGA    F    36_F      F    36_A     0.380     0    0.017   0.168     1.434  100.000   91.472
LGA    T    37_F      T    37_A     0.481     0    0.038   0.113     0.842   95.238   95.918
LGA    F    38_F      F    38_A     0.645     0    0.034   0.074     0.849   90.476   90.476
LGA    T    39_F      T    39_A     0.911     0    0.159   1.024     3.070   83.810   75.918
LGA    D    40_F      D    40_A     0.660     0    0.042   0.092     0.734   90.476   92.857
LGA    P    41_F      P    41_A     0.890     0    0.051   0.159     1.510   90.476   86.667
LGA    K    42_F      K    42_A     0.360     0    0.036   0.323     1.849   97.619   90.741
LGA    G    43_F      G    43_A     0.579     0    0.027   0.027     0.655   95.238   95.238
LGA    S    44_F      S    44_A     0.288     0    0.078   0.143     0.841  100.000   98.413
LGA    L    45_F      L    45_A     0.320     0    0.089   0.434     1.359  100.000   95.298
LGA    H    46_F      H    46_A     0.400     0    0.014   0.088     0.531  100.000   98.095
LGA    S    47_F      S    47_A     0.311     0    0.081   0.667     1.916  100.000   95.476
LGA    I    48_F      I    48_A     1.002     0    0.047   1.255     4.142   88.214   74.524
LGA    D    49_F      D    49_A     0.839     0    0.021   0.282     1.080   90.476   89.345
LGA    V    50_F      V    50_A     0.671     0    0.026   0.041     0.834   92.857   91.837
LGA    T    51_F      T    51_A     0.495     0    0.012   0.036     0.726   92.857   91.837
LGA    E    52_F      E    52_A     0.814     0    0.079   1.061     5.973   92.857   66.667
LGA    V    53_F      V    53_A     0.444     0    0.085   0.093     0.694   97.619   94.558
LGA    L    54_F      L    54_A     0.382     0    0.017   0.080     0.504  100.000   98.810
LGA    N    55_F      N    55_A     0.375     0    0.026   0.165     0.904  100.000   98.810
LGA    N    56_F      N    56_A     0.468     0    0.065   0.110     0.726   97.619   94.048
LGA    M    57_F      M    57_A     0.684     0    0.051   0.923     2.838   90.476   85.179
LGA    A    58_F      A    58_A     0.607     0    0.042   0.053     0.751   90.476   90.476
LGA    K    59_F      K    59_A     0.308     0    0.040   0.192     1.300  100.000   95.820
LGA    G    60_F      G    60_A     0.338     0    0.101   0.101     0.353  100.000  100.000
LGA    F    61_F      F    61_A     0.583     0    0.029   0.106     1.093   90.476   88.831
LGA    R    62_F      R    62_A     0.678     0    0.152   0.805     2.012   83.810   77.706
LGA    D    63_F      D    63_A     1.389     0    0.065   0.149     2.320   75.119   81.667
LGA    A    64_F      A    64_A     1.859     0    0.052   0.062     2.096   68.810   69.619
LGA    Q    65_F      Q    65_A     2.673     0    0.068   0.299     4.846   60.952   49.206
LGA    N    66_F      N    66_A     1.849     0    0.108   0.809     3.824   70.833   65.119
LGA    P    67_F      P    67_A     0.913     0    0.092   0.105     1.158   85.952   86.599
LGA    P    68_F      P    68_A     0.985     0    0.124   0.147     1.229   88.214   86.599
LGA    S    69_F      S    69_A     0.113     0    0.084   0.165     0.803  100.000   98.413
LGA    S    70_F      S    70_A     1.144     0    0.085   0.118     1.380   83.690   82.937
LGA    F    71_F      F    71_A     1.805     0    0.141   0.803     3.572   72.857   63.853
LGA    T    72_F      T    72_A     2.460     0    0.084   0.082     2.829   60.952   61.497
LGA    L    73_F      L    73_A     3.373     0    0.209   0.321     4.738   43.929   52.560
LGA    G    74_F      G    74_A     4.886     0    0.605   0.605     5.747   30.357   30.357
LGA    G    75_F      G    75_A     9.218     0    0.396   0.396    10.079    1.667    1.667
LGA    H    76_F      H    76_A     9.482     0    0.606   1.022    12.341    3.095    1.381
LGA    C    77_F      C    77_A     7.634     0    0.542   0.723     8.210    7.976    7.698
LGA    Q    78_F      Q    78_A     8.060     0    0.349   1.177     9.237    4.762    5.926
LGA    A    79_F      A    79_A     9.836     0    0.027   0.042    11.803    0.833    0.762
LGA    P    80_F      P    80_A    14.685     0    0.675   0.667    16.814    0.000    0.000
LGA    L    81_F      L    81_A    13.118     0    0.291   1.227    18.430    0.000    0.000
LGA    N    82_F      N    82_A     9.049     0    0.224   1.235    10.343    5.357    4.107
LGA    A    83_F      A    83_A     5.216     0    0.023   0.052     6.414   27.976   28.667
LGA    F    84_F      F    84_A     4.045     0    0.412   1.288     7.278   38.690   27.879
LGA    S    85_F      S    85_A     5.591     0    0.594   0.493     7.827   20.476   16.508
LGA    F    86_F      F    86_A     8.536     0    0.166   1.223    12.316    3.214   24.416
LGA    V    87_F      V    87_A    15.189     0    0.078   0.087    18.751    0.000    0.000
LGA    L    88_F      L    88_A    20.816     0    0.019   1.411    23.745    0.000    0.000
LGA    P    89_F      P    89_A    26.586     0    0.057   0.112    29.261    0.000    0.000
LGA    G    90_F      G    90_A    30.774     0    0.061   0.061    31.809    0.000    0.000
LGA    V    91_F      V    91_A    27.225     0    0.583   0.537    29.271    0.000    0.000
LGA    N    92_F      N    92_A    21.718     0    0.023   1.255    23.747    0.000    0.000
LGA    D    93_F      D    93_A    17.323     0    0.283   1.192    20.834    0.000    0.000
LGA    R    94_F      R    94_A    13.764     0    0.559   0.737    14.592    0.000    0.216
LGA    A    95_F      A    95_A    16.043     0    0.625   0.574    17.196    0.000    0.000
LGA    T    96_F      T    96_A    13.561     0    0.633   0.576    14.443    0.000    0.000
LGA    V    97_F      V    97_A    11.800     0    0.517   0.466    12.902    0.000    0.000
LGA    A    98_F      A    98_A     9.653     0    0.682   0.619    10.616    0.595    0.476
LGA    T    99_F      T    99_A     9.735     0    0.041   0.044    11.748    2.738    1.565
LGA    A   100_F      A   100_A     8.345     0    0.045   0.042     8.993    5.595    5.048
LGA    D   101_F      D   101_A     9.027     0    0.039   0.632    10.079    3.690    2.024
LGA    E   102_F      E   102_A     7.638     0    0.027   1.315    12.011   10.595    6.032
LGA    A   103_F      A   103_A     5.351     0    0.064   0.084     6.268   27.976   27.619
LGA    K   104_F      K   104_A     5.210     0    0.034   1.163    11.570   28.810   15.820
LGA    K   105_F      K   105_A     4.948     0    0.015   0.197     8.078   34.524   23.651
LGA    W   106_F      W   106_A     3.344     0    0.039   0.711     4.905   50.119   43.163
LGA    E   107_F      E   107_A     3.151     0    0.625   0.772     7.134   50.119   36.296
LGA    N   108_F      N   108_A     2.941     0    0.090   0.166     5.077   59.167   47.560
LGA    C   109_F      C   109_A     1.139     0    0.019   0.064     1.773   83.810   83.016
LGA    D   110_F      D   110_A     0.537     0    0.124   0.651     3.591   88.214   75.119
LGA    A   111_F      A   111_A     0.367     0    0.045   0.059     0.446  100.000  100.000
LGA    T   112_F      T   112_A     0.300     0    0.052   0.101     0.612  100.000   98.639
LGA    L   113_F      L   113_A     0.361     0    0.017   0.101     0.611  100.000   97.619
LGA    T   114_F      T   114_A     0.614     0    0.045   0.092     0.835   90.476   90.476
LGA    G   115_F      G   115_A     0.433     0    0.011   0.011     0.516   97.619   97.619
LGA    L   116_F      L   116_A     0.435     0    0.030   0.058     0.461  100.000  100.000
LGA    Q   117_F      Q   117_A     0.570     0    0.023   0.572     2.151   95.238   89.735
LGA    R   118_F      R   118_A     0.502     0    0.041   0.754     3.337   95.238   83.896
LGA    I   119_F      I   119_A     0.308     0    0.009   0.108     0.529   97.619   98.810
LGA    I   120_F      I   120_A     0.545     0    0.097   1.284     4.017   88.452   81.726
LGA    H   121_F      H   121_A     1.594     0    0.027   1.289     6.082   73.214   52.762
LGA    H   122_F      H   122_A     3.476     0    0.143   1.338     6.354   48.452   38.857
LGA    H   123_F      H   123_A     4.343     0    0.256   1.127     5.027   35.833   35.571
LGA    H   124_F      H   124_A     6.146     0    0.591   0.991     8.153   20.476   14.524

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      124     496    496  100.00     971    971  100.00               124
SUMMARY(RMSD_GDC):     6.957          6.913                  6.758           63.862   60.886

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  126  124    4.0     91    1.62    68.548    63.145     5.303

LGA_LOCAL      RMSD:   1.616  Number of atoms:   91  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   7.218  Number of assigned atoms:  124 
Std_ASGN_ATOMS RMSD:   6.957  Standard rmsd on all 124 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.342114 * X  +   0.241581 * Y  +  -0.908073 * Z  + -58.445236
  Y_new =   0.883607 * X  +   0.246067 * Y  +   0.398359 * Z  +  12.067784
  Z_new =   0.319683 * X  +  -0.938664 * Y  +  -0.129280 * Z  +   2.895019 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.201391 -0.325394 -1.707663   [DEG:   68.8347  -18.6437  -97.8419 ]
ZXZ: -1.984202  1.700439  2.813342   [DEG: -113.6864   97.4280  161.1926 ]
 
# END of job
