
#######################################################
#                                                     #
#                        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:    50      16_A - 65_A        4.96     9.35
  LONGEST_CONTINUOUS_SEGMENT:    50      17_A - 66_A        4.98     9.59
  LCS_AVERAGE:     32.69

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    26      96_A - 121_A       1.89     8.98
  LONGEST_CONTINUOUS_SEGMENT:    26      97_A - 122_A       1.98     8.78
  LCS_AVERAGE:     12.24

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    15       4_A - 18_A        0.97     7.95
  LCS_AVERAGE:      6.85

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      3    3   40      2    3    3    3    3   10   17   20   26   42   57   71   76   87   89   95   99  102  105  109 
LCS_GDT     F     2_F     F     2_A      3   21   40      3    3    8   17   40   58   66   70   73   77   80   84   86   91   93   98  102  107  110  113 
LCS_GDT     T     3_F     T     3_A      3   21   40      3    4    7   17   27   56   66   70   73   77   80   84   86   91   93   98  102  107  110  113 
LCS_GDT     G     4_F     G     4_A     15   21   40      4   18   33   50   58   63   67   70   73   77   80   84   86   91   93   98  102  107  110  113 
LCS_GDT     W     5_F     W     5_A     15   21   40      6   19   40   51   58   63   67   70   73   77   80   84   86   91   93   98  102  107  110  113 
LCS_GDT     S     6_F     S     6_A     15   21   40      7   25   38   51   58   63   67   70   73   77   80   84   86   91   93   98  102  107  110  113 
LCS_GDT     P     7_F     P     7_A     15   21   40     14   25   42   51   58   63   67   70   73   77   80   84   86   91   93   98  102  107  110  113 
LCS_GDT     F     8_F     F     8_A     15   21   40     14   26   42   51   58   63   67   70   73   77   80   84   86   91   93   98  102  107  110  113 
LCS_GDT     K     9_F     K     9_A     15   21   40     14   26   42   51   58   63   67   70   73   77   80   84   86   91   93   98  102  107  110  113 
LCS_GDT     Y    10_F     Y    10_A     15   21   40     14   26   42   51   58   63   67   70   73   77   80   84   86   91   93   98  102  107  110  113 
LCS_GDT     S    11_F     S    11_A     15   21   40     14   26   42   51   58   63   67   70   73   77   80   84   86   91   93   98  102  107  110  113 
LCS_GDT     K    12_F     K    12_A     15   21   40      4   19   40   51   58   63   67   70   73   77   80   84   86   91   93   98  102  107  110  113 
LCS_GDT     G    13_F     G    13_A     15   21   40      4   18   31   43   58   63   67   70   73   77   79   84   86   91   93   98  102  107  110  113 
LCS_GDT     N    14_F     N    14_A     15   21   40      6   21   40   51   58   63   67   70   73   77   80   84   86   91   93   98  102  107  110  113 
LCS_GDT     T    15_F     T    15_A     15   21   45     10   26   42   51   58   63   67   70   73   77   80   84   86   91   93   98  102  107  110  113 
LCS_GDT     V    16_F     V    16_A     15   21   50      9   26   42   51   58   63   67   70   73   77   80   84   86   91   93   98  102  107  110  113 
LCS_GDT     T    17_F     T    17_A     15   21   50      6   25   42   51   58   63   67   70   73   77   80   84   86   91   93   98  102  107  110  113 
LCS_GDT     F    18_F     F    18_A     15   21   50      7   25   42   51   58   63   67   70   73   77   80   84   86   91   93   98  102  107  110  113 
LCS_GDT     K    19_F     K    19_A     13   21   50      9   25   42   51   58   63   67   70   73   77   80   84   86   91   93   98  102  107  110  113 
LCS_GDT     T    20_F     T    20_A     13   21   50      8   25   41   51   58   63   67   70   73   77   80   84   86   91   93   98  102  107  110  113 
LCS_GDT     P    21_F     P    21_A      8   21   50      4   20   39   51   58   63   67   70   73   77   80   84   86   91   93   98  102  107  110  113 
LCS_GDT     D    22_F     D    22_A      8   21   50     12   26   42   51   58   63   67   70   73   77   80   84   86   91   93   98  102  107  110  113 
LCS_GDT     E    23_F     E    23_A      4   20   50      3    4    9   11   22   36   53   64   69   76   80   84   86   91   93   97  102  106  110  113 
LCS_GDT     S    24_F     S    24_A      4   18   50      3    3    6   14   37   56   65   70   73   77   80   84   86   91   93   98  102  107  110  113 
LCS_GDT     S    25_F     S    25_A      4    7   50      3    3    5    6   16   22   40   54   68   75   78   84   86   89   90   95  100  106  109  113 
LCS_GDT     I    26_F     I    26_A      3    7   50      3    3    5    6    8   12   21   36   58   72   77   84   86   89   91   97  102  107  110  113 
LCS_GDT     A    27_F     A    27_A      3   11   50      3    3    3    5    7   32   52   61   69   76   79   84   86   89   93   98  102  107  110  113 
LCS_GDT     Y    28_F     Y    28_A     10   11   50      5   23   42   51   58   63   67   70   73   77   80   84   86   91   93   98  102  107  110  113 
LCS_GDT     M    29_F     M    29_A     10   11   50     12   26   42   51   58   63   67   70   73   77   80   84   86   91   93   98  102  107  110  113 
LCS_GDT     R    30_F     R    30_A     10   11   50      6   26   42   51   58   63   67   70   73   77   80   84   86   91   93   98  102  107  110  113 
LCS_GDT     F    31_F     F    31_A     10   11   50      6   26   42   51   58   63   67   70   73   77   80   84   86   91   93   98  102  107  110  113 
LCS_GDT     R    32_F     R    32_A     10   11   50      2   18   42   51   58   63   67   70   73   77   80   84   86   91   93   98  102  107  110  113 
LCS_GDT     N    33_F     N    33_A     10   11   50      4   15   34   51   58   63   67   70   73   77   80   84   86   91   93   98  102  107  110  113 
LCS_GDT     C    34_F     C    34_A     10   11   50     14   26   42   51   58   63   67   70   73   77   80   84   86   91   93   98  102  107  110  113 
LCS_GDT     V    35_F     V    35_A     10   11   50     14   26   42   51   58   63   67   70   73   77   80   84   86   91   93   98  102  107  110  113 
LCS_GDT     F    36_F     F    36_A     10   12   50     14   26   42   51   58   63   67   70   73   77   80   84   86   91   93   98  102  107  110  113 
LCS_GDT     T    37_F     T    37_A     10   12   50      6   26   42   51   58   63   67   70   73   77   80   84   86   91   93   98  102  107  110  113 
LCS_GDT     F    38_F     F    38_A     10   12   50      4    8   14   22   32   56   59   67   70   77   80   84   86   91   93   98  102  107  110  113 
LCS_GDT     T    39_F     T    39_A     10   12   50      4    7    9   11   17   24   33   41   53   65   73   79   84   88   93   98  102  107  110  113 
LCS_GDT     D    40_F     D    40_A     10   12   50      5    7    9   11   13   18   21   28   32   42   48   55   63   74   83   93   99  106  110  112 
LCS_GDT     P    41_F     P    41_A     10   12   50      5    7    9   11   13   18   19   22   24   26   31   35   40   50   57   65   74   80   86   91 
LCS_GDT     K    42_F     K    42_A     10   12   50      5    7    9   11   12   18   18   22   24   26   31   36   46   55   59   66   75   81   92   98 
LCS_GDT     G    43_F     G    43_A     10   12   50      5    7    9   11   12   18   18   22   24   26   31   44   53   62   70   79   90   99  106  112 
LCS_GDT     S    44_F     S    44_A     10   12   50      5    7    9   11   13   24   31   41   56   69   75   79   84   88   93   98  102  107  110  113 
LCS_GDT     L    45_F     L    45_A     10   15   50      3    6   12   20   31   46   59   67   69   74   79   84   86   91   93   98  102  107  110  113 
LCS_GDT     H    46_F     H    46_A     10   15   50      5   10   22   39   55   62   65   70   72   77   80   84   86   91   93   98  102  107  110  113 
LCS_GDT     S    47_F     S    47_A     12   15   50      5   18   42   51   58   63   67   70   73   77   80   84   86   91   93   98  102  107  110  113 
LCS_GDT     I    48_F     I    48_A     12   15   50      8   26   42   51   58   63   67   70   73   77   80   84   86   91   93   98  102  107  110  113 
LCS_GDT     D    49_F     D    49_A     12   15   50      5    8   12   41   56   63   67   70   73   77   80   84   86   91   93   98  102  107  110  113 
LCS_GDT     V    50_F     V    50_A     12   15   50     11   25   42   51   58   63   67   70   73   77   80   84   86   91   93   98  102  107  110  113 
LCS_GDT     T    51_F     T    51_A     12   15   50      8   25   42   51   58   63   67   70   73   77   80   84   86   91   93   98  102  107  110  113 
LCS_GDT     E    52_F     E    52_A     12   15   50      8   24   40   51   58   63   67   70   73   77   80   84   86   91   93   98  102  107  110  113 
LCS_GDT     V    53_F     V    53_A     12   15   50     14   25   42   51   58   63   67   70   73   77   80   84   86   91   93   98  102  107  110  113 
LCS_GDT     L    54_F     L    54_A     12   15   50     14   26   42   51   58   63   67   70   73   77   80   84   86   91   93   98  102  107  110  113 
LCS_GDT     N    55_F     N    55_A     12   15   50     11   25   42   51   58   63   67   70   73   77   80   84   86   91   93   98  102  107  110  113 
LCS_GDT     N    56_F     N    56_A     12   15   50     14   26   42   51   58   63   67   70   73   77   80   84   86   91   93   98  102  107  110  113 
LCS_GDT     M    57_F     M    57_A     12   15   50      8   26   42   51   58   63   67   70   73   77   80   84   86   91   93   98  102  107  110  113 
LCS_GDT     A    58_F     A    58_A     12   15   50      4   25   42   51   58   63   67   70   73   77   80   84   86   91   93   98  102  107  110  113 
LCS_GDT     K    59_F     K    59_A      3   15   50      0    3    4   20   24   36   52   62   68   73   80   83   86   91   93   98  102  107  110  113 
LCS_GDT     G    60_F     G    60_A      4    5   50      3    3    5   10   18   26   33   44   56   70   74   78   84   89   93   97  102  107  110  113 
LCS_GDT     F    61_F     F    61_A      4    5   50      4    4    4   10   18   29   39   50   62   70   73   80   84   91   93   97  102  107  110  113 
LCS_GDT     R    62_F     R    62_A      4    5   50      4    4    4    5    6   11   18   31   38   45   51   73   79   81   87   92   95  101  103  108 
LCS_GDT     D    63_F     D    63_A      4    5   50      4    4    6    7   12   29   39   53   62   70   73   80   82   91   93   97  102  107  110  113 
LCS_GDT     A    64_F     A    64_A      4    5   50      4    8   20   34   47   58   64   68   72   76   80   84   86   91   93   98  102  107  110  113 
LCS_GDT     Q    65_F     Q    65_A      3    5   50      3    3   10   28   55   62   67   70   72   77   80   84   86   91   93   98  102  107  110  113 
LCS_GDT     N    66_F     N    66_A      4    9   50      3    4   22   41   54   62   67   70   73   77   80   84   86   91   93   98  102  107  110  113 
LCS_GDT     P    67_F     P    67_A      4    9   45      3    4   17   26   34   62   67   70   73   77   79   84   86   89   93   98  102  107  110  113 
LCS_GDT     P    68_F     P    68_A      6    9   45      5    7    9   21   26   41   55   64   68   75   77   82   85   88   93   98  102  107  110  113 
LCS_GDT     S    69_F     S    69_A      6    9   45      5    8   11   23   40   62   67   70   73   77   80   84   86   91   93   98  102  107  110  113 
LCS_GDT     S    70_F     S    70_A      6    9   45      5   16   36   49   58   63   67   70   73   77   80   84   86   91   93   98  102  107  110  113 
LCS_GDT     F    71_F     F    71_A      6    9   45      5    8   33   49   58   63   67   70   73   77   80   84   86   91   93   98  102  107  110  113 
LCS_GDT     T    72_F     T    72_A      6    9   45      9   26   42   51   58   63   67   70   73   77   80   84   86   91   93   98  102  107  110  113 
LCS_GDT     L    73_F     L    73_A      6    9   40      7   26   41   51   58   63   67   70   73   77   80   84   86   91   93   98  102  107  110  113 
LCS_GDT     G    74_F     G    74_A      4    9   37      4   10   25   42   53   60   65   70   73   77   80   84   86   91   93   98  102  107  110  113 
LCS_GDT     G    75_F     G    75_A      4    8   35      4    5   10   19   28   38   55   62   67   73   80   83   86   91   93   98  102  107  110  113 
LCS_GDT     H    76_F     H    76_A      4    6   35      4    4    5    6    9   25   34   43   52   62   70   77   84   91   93   98  102  107  110  113 
LCS_GDT     C    77_F     C    77_A      3    6   35      3    3    5    5   10   24   30   43   52   62   70   77   84   91   93   98  102  107  110  113 
LCS_GDT     Q    78_F     Q    78_A      3    4   35      3    3    3    4    8   10   17   20   24   34   40   50   73   81   90   95  102  107  110  113 
LCS_GDT     A    79_F     A    79_A      3    4   35      0    3    5    5    6   13   22   28   41   59   71   78   84   88   93   98  102  107  110  113 
LCS_GDT     P    80_F     P    80_A      3    4   17      3    4    5    5    5   11   16   45   49   60   65   71   80   83   90   94   98  105  110  113 
LCS_GDT     L    81_F     L    81_A      3    4   17      3    4    5    6   10   14   26   37   47   64   68   77   81   87   91   95  101  106  110  113 
LCS_GDT     N    82_F     N    82_A      4    8   17      4   20   38   50   58   63   67   70   73   77   80   84   86   91   93   98  102  107  110  113 
LCS_GDT     A    83_F     A    83_A      4    8   17      3   14   30   43   58   63   67   70   73   77   80   84   86   91   93   98  102  107  110  113 
LCS_GDT     F    84_F     F    84_A      4    8   17      6   11   25   43   58   63   67   70   73   77   80   84   86   91   93   98  102  107  110  113 
LCS_GDT     S    85_F     S    85_A      4    8   17      3    6   21   43   58   63   67   70   73   77   80   84   86   91   93   98  102  107  110  113 
LCS_GDT     F    86_F     F    86_A      4    8   15     12   26   42   51   58   63   67   70   73   77   80   84   86   91   93   98  102  107  110  113 
LCS_GDT     V    87_F     V    87_A      4    8   15      4   18   33   49   58   63   67   70   73   77   80   84   86   91   93   98  102  107  110  113 
LCS_GDT     L    88_F     L    88_A      4    8   15      3   13   22   41   55   63   67   70   73   77   80   84   86   91   93   98  102  107  110  113 
LCS_GDT     P    89_F     P    89_A      4    8   13      4   10   31   46   56   62   67   70   73   77   80   84   86   91   93   98  102  107  110  113 
LCS_GDT     G    90_F     G    90_A      4    4   34      4    4    4    4    4    5    6   37   59   68   78   84   86   89   91   96  100  105  109  112 
LCS_GDT     V    91_F     V    91_A      4    5   34      4    4    4    7   24   42   57   67   73   77   80   84   86   91   93   98  102  107  110  113 
LCS_GDT     N    92_F     N    92_A      4    5   34      4    5   12   20   31   43   59   67   69   74   79   83   86   91   93   98  102  107  110  113 
LCS_GDT     D    93_F     D    93_A      4    5   34      3    4    4    6   10   13   17   25   32   39   50   69   78   86   90   96  102  107  110  113 
LCS_GDT     R    94_F     R    94_A      4    5   34      3    4    4    5    5    6    8    9   14   19   28   37   43   67   72   76   79   85   92   95 
LCS_GDT     A    95_F     A    95_A      4    5   34      3    4    4    5    8   10   17   19   32   36   41   47   60   67   74   81   88   90   94   99 
LCS_GDT     T    96_F     T    96_A     10   26   34      3    7   12   17   28   35   42   49   56   65   75   78   84   88   91   95  102  107  110  113 
LCS_GDT     V    97_F     V    97_A     12   26   34      4    9   12   20   30   35   43   50   62   67   75   79   84   88   91   98  102  107  110  113 
LCS_GDT     A    98_F     A    98_A     12   26   34      5   10   12   20   30   35   43   50   57   65   75   78   84   88   91   95  101  107  110  113 
LCS_GDT     T    99_F     T    99_A     12   26   34      6   10   12   20   30   35   43   50   57   65   75   78   84   88   91   95  101  107  110  113 
LCS_GDT     A   100_F     A   100_A     12   26   34      6   10   12   20   30   35   43   50   55   65   74   78   83   88   91   95  101  107  110  113 
LCS_GDT     D   101_F     D   101_A     12   26   34      6   10   12   20   30   35   43   55   66   73   76   79   84   88   93   98  102  107  110  113 
LCS_GDT     E   102_F     E   102_A     12   26   34      6   10   12   21   30   35   48   60   67   73   76   79   84   88   93   98  102  107  110  113 
LCS_GDT     A   103_F     A   103_A     12   26   34      6   10   12   20   30   35   43   50   62   73   75   79   84   88   93   98  102  107  110  113 
LCS_GDT     K   104_F     K   104_A     12   26   34      6   10   12   19   30   35   43   50   66   73   76   79   84   88   93   98  102  107  110  113 
LCS_GDT     K   105_F     K   105_A     12   26   34      4   10   12   21   36   46   59   67   69   74   77   83   85   91   93   98  102  107  110  113 
LCS_GDT     W   106_F     W   106_A     12   26   34      4   10   12   17   30   35   43   60   67   73   76   80   84   91   93   98  102  107  110  113 
LCS_GDT     E   107_F     E   107_A     12   26   34      4   10   12   13   25   35   43   50   65   73   76   80   84   91   93   98  102  107  110  113 
LCS_GDT     N   108_F     N   108_A     12   26   34      4   10   12   18   31   49   62   67   69   74   79   83   85   91   93   98  102  107  110  113 
LCS_GDT     C   109_F     C   109_A      7   26   34      4    8   20   32   53   62   63   67   72   77   80   84   86   91   93   98  102  107  110  113 
LCS_GDT     D   110_F     D   110_A      7   26   34      6   21   42   51   58   63   67   70   73   77   80   84   86   91   93   98  102  107  110  113 
LCS_GDT     A   111_F     A   111_A      7   26   34      6   21   42   51   58   63   67   70   73   77   80   84   86   91   93   98  102  107  110  113 
LCS_GDT     T   112_F     T   112_A      9   26   34     14   26   42   51   58   63   67   70   73   77   80   84   86   91   93   98  102  107  110  113 
LCS_GDT     L   113_F     L   113_A      9   26   34     14   26   42   51   58   63   67   70   73   77   80   84   86   91   93   98  102  107  110  113 
LCS_GDT     T   114_F     T   114_A      9   26   34     14   26   42   51   58   63   67   70   73   77   80   84   86   91   93   98  102  107  110  113 
LCS_GDT     G   115_F     G   115_A      9   26   34      3   12   22   50   58   63   67   70   73   77   80   84   86   91   93   98  102  107  110  113 
LCS_GDT     L   116_F     L   116_A      9   26   34     14   26   42   51   58   63   67   70   73   77   80   84   86   91   93   98  102  107  110  113 
LCS_GDT     Q   117_F     Q   117_A      9   26   34      8   26   42   51   58   63   67   70   73   77   80   84   86   91   93   98  102  107  110  113 
LCS_GDT     R   118_F     R   118_A      9   26   34      7   26   42   51   58   63   67   70   73   77   80   84   86   91   93   98  102  107  110  113 
LCS_GDT     I   119_F     I   119_A      9   26   34     12   26   42   51   58   63   67   70   73   77   80   84   86   91   93   98  102  107  110  113 
LCS_GDT     I   120_F     I   120_A      9   26   34     12   26   42   51   58   63   67   70   73   77   80   84   86   91   93   98  102  107  110  113 
LCS_GDT     H   121_F     H   121_A      4   26   34     14   25   40   51   58   63   67   70   73   77   80   84   86   91   93   98  102  107  110  113 
LCS_GDT     H   122_F     H   122_A      4   26   34      3    3    4    7   18   46   53   65   71   74   80   83   85   91   93   98  102  107  110  113 
LCS_GDT     H   123_F     H   123_A      4    6   34      3    3    4    6    8    9   10   47   54   59   68   73   84   86   90   95   99  103  108  112 
LCS_GDT     H   124_F     H   124_A      4    6   34      0    3    4    6    6    8    9    9   13   15   17   20   29   72   79   86   88   92   98  106 
LCS_AVERAGE  LCS_A:  17.26  (   6.85   12.24   32.69 )

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     14     26     42     51     58     63     67     70     73     77     80     84     86     91     93     98    102    107    110    113 
GDT PERCENT_AT  11.29  20.97  33.87  41.13  46.77  50.81  54.03  56.45  58.87  62.10  64.52  67.74  69.35  73.39  75.00  79.03  82.26  86.29  88.71  91.13
GDT RMS_LOCAL    0.33   0.69   1.05   1.21   1.40   1.60   1.77   1.94   2.19   2.45   2.80   3.07   3.22   3.82   3.89   4.36   4.59   5.04   5.21   5.38
GDT RMS_ALL_AT   7.69   8.01   7.64   7.63   7.69   7.87   7.95   7.87   8.23   7.89   7.81   7.93   7.80   7.21   6.96   6.75   6.82   6.62   6.61   6.63

# Checking swapping
#   possible swapping detected:  Y    28_F      Y    28_A
#   possible swapping detected:  F    31_F      F    31_A
#   possible swapping detected:  F    36_F      F    36_A
#   possible swapping detected:  F    38_F      F    38_A
#   possible swapping detected:  F    61_F      F    61_A
#   possible swapping detected:  D    63_F      D    63_A
#   possible swapping detected:  F    71_F      F    71_A
#   possible swapping detected:  F    84_F      F    84_A
#   possible swapping detected:  D    93_F      D    93_A
#   possible swapping detected:  E   107_F      E   107_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    M     1_F      M     1_A     9.941     0    0.201   0.930    17.026    4.405    2.202
LGA    F     2_F      F     2_A     5.549     0    0.652   1.332     8.884   17.500   13.636
LGA    T     3_F      T     3_A     5.584     0    0.118   1.147     8.563   34.048   22.721
LGA    G     4_F      G     4_A     2.685     0    0.662   0.662     2.685   69.048   69.048
LGA    W     5_F      W     5_A     1.712     0    0.022   0.832     5.991   68.810   52.755
LGA    S     6_F      S     6_A     1.918     0    0.086   0.718     2.637   79.286   73.175
LGA    P     7_F      P     7_A     1.189     0    0.047   0.258     1.684   83.690   80.272
LGA    F     8_F      F     8_A     0.936     0    0.087   1.369     7.534   85.952   55.368
LGA    K     9_F      K     9_A     0.424     0    0.092   0.464     2.250   95.238   91.852
LGA    Y    10_F      Y    10_A     0.359     0    0.162   0.323     2.759   92.976   80.556
LGA    S    11_F      S    11_A     0.395     0    0.126   0.146     2.023   92.976   86.349
LGA    K    12_F      K    12_A     1.659     0    0.112   0.937     3.773   70.952   63.439
LGA    G    13_F      G    13_A     2.868     0    0.149   0.149     2.868   60.952   60.952
LGA    N    14_F      N    14_A     1.582     0    0.102   0.680     2.982   81.667   72.321
LGA    T    15_F      T    15_A     0.525     0    0.028   0.135     0.814   92.857   93.197
LGA    V    16_F      V    16_A     0.602     0    0.097   0.100     1.080   88.214   89.184
LGA    T    17_F      T    17_A     1.333     0    0.027   0.063     1.779   81.429   77.755
LGA    F    18_F      F    18_A     1.311     0    0.040   0.481     1.834   81.429   78.312
LGA    K    19_F      K    19_A     1.190     0    0.057   0.773     4.498   81.429   71.323
LGA    T    20_F      T    20_A     1.202     0    0.003   0.076     1.671   81.429   78.980
LGA    P    21_F      P    21_A     1.873     0    0.645   0.564     3.872   67.619   71.156
LGA    D    22_F      D    22_A     0.825     0    0.356   1.290     7.675   77.381   51.786
LGA    E    23_F      E    23_A     7.211     0    0.019   0.405    12.279   13.214    6.243
LGA    S    24_F      S    24_A     5.975     0    0.678   0.593     8.033   15.238   28.492
LGA    S    25_F      S    25_A     8.192     0    0.418   0.738    11.905    8.095    5.635
LGA    I    26_F      I    26_A     7.662     0    0.294   1.528    12.648    7.857    4.464
LGA    A    27_F      A    27_A     7.185     0    0.685   0.631     8.854   15.833   13.238
LGA    Y    28_F      Y    28_A     1.535     0    0.677   1.475     8.223   73.214   49.286
LGA    M    29_F      M    29_A     0.561     0    0.076   1.026     4.796   95.238   78.095
LGA    R    30_F      R    30_A     0.777     0    0.267   1.529     8.520   90.595   55.887
LGA    F    31_F      F    31_A     0.891     0    0.126   0.158     1.475   90.476   88.009
LGA    R    32_F      R    32_A     1.689     0    0.642   1.430     3.375   69.286   71.082
LGA    N    33_F      N    33_A     2.102     0    0.526   0.505     3.646   59.405   66.190
LGA    C    34_F      C    34_A     0.516     0    0.084   0.821     3.811   92.857   84.206
LGA    V    35_F      V    35_A     0.399     0    0.023   1.074     2.737  100.000   88.844
LGA    F    36_F      F    36_A     0.867     0    0.196   0.295     1.567   86.071   83.117
LGA    T    37_F      T    37_A     1.150     0    0.248   0.946     3.099   69.286   70.000
LGA    F    38_F      F    38_A     6.249     0    0.091   1.340    14.474   17.857    7.446
LGA    T    39_F      T    39_A    11.402     0    0.143   1.059    14.527    0.119    0.068
LGA    D    40_F      D    40_A    16.409     0    0.079   1.192    18.466    0.000    0.000
LGA    P    41_F      P    41_A    22.604     0    0.027   0.146    24.548    0.000    0.000
LGA    K    42_F      K    42_A    21.801     0    0.083   0.340    24.458    0.000    0.000
LGA    G    43_F      G    43_A    18.419     0    0.035   0.035    19.369    0.000    0.000
LGA    S    44_F      S    44_A    13.068     0    0.123   0.739    15.245    0.000    0.000
LGA    L    45_F      L    45_A     7.311     0    0.057   0.971     9.183   10.476    9.345
LGA    H    46_F      H    46_A     4.228     0    0.071   0.809     5.897   34.524   28.095
LGA    S    47_F      S    47_A     2.306     0    0.040   0.644     2.979   73.095   67.778
LGA    I    48_F      I    48_A     0.913     0    0.072   0.167     4.191   81.548   69.762
LGA    D    49_F      D    49_A     2.895     0    0.017   0.231     5.620   60.952   46.369
LGA    V    50_F      V    50_A     1.243     0    0.169   1.123     3.283   79.286   74.490
LGA    T    51_F      T    51_A     1.301     0    0.038   0.058     1.518   79.286   80.204
LGA    E    52_F      E    52_A     1.982     0    0.050   0.925     6.685   72.857   51.429
LGA    V    53_F      V    53_A     1.377     0    0.046   0.808     2.629   79.286   75.510
LGA    L    54_F      L    54_A     1.117     0    0.025   0.219     1.271   81.429   84.821
LGA    N    55_F      N    55_A     1.348     0    0.032   1.021     3.470   81.429   75.357
LGA    N    56_F      N    56_A     1.364     0    0.091   0.084     1.719   79.286   80.357
LGA    M    57_F      M    57_A     1.395     0    0.512   1.138     3.433   71.429   66.429
LGA    A    58_F      A    58_A     1.834     0    0.595   0.590     3.683   59.762   60.762
LGA    K    59_F      K    59_A     7.108     0    0.636   0.832    16.349   12.024    5.397
LGA    G    60_F      G    60_A     9.317     0    0.650   0.650     9.317    2.619    2.619
LGA    F    61_F      F    61_A     9.740     0    0.020   1.130    11.869    0.476    0.649
LGA    R    62_F      R    62_A    13.559     0    0.205   1.218    18.743    0.000    0.000
LGA    D    63_F      D    63_A    11.180     0    0.635   1.350    12.938    1.429    0.714
LGA    A    64_F      A    64_A     5.628     0    0.665   0.601     7.415   22.262   23.048
LGA    Q    65_F      Q    65_A     3.447     0    0.200   1.010     8.472   50.119   35.556
LGA    N    66_F      N    66_A     3.466     0    0.401   1.105     7.562   43.929   31.607
LGA    P    67_F      P    67_A     4.955     0    0.065   0.406     5.180   31.548   34.014
LGA    P    68_F      P    68_A     6.285     0    0.144   0.442     7.782   24.048   18.095
LGA    S    69_F      S    69_A     3.921     0    0.090   0.173     4.851   49.167   44.206
LGA    S    70_F      S    70_A     2.025     0    0.066   0.478     2.730   64.881   63.571
LGA    F    71_F      F    71_A     2.156     0    0.072   1.310     4.367   75.119   60.000
LGA    T    72_F      T    72_A     0.863     0    0.045   0.149     1.604   88.214   84.082
LGA    L    73_F      L    73_A     1.380     0    0.091   1.253     5.405   71.190   62.440
LGA    G    74_F      G    74_A     4.006     0    0.596   0.596     4.594   42.143   42.143
LGA    G    75_F      G    75_A     7.728     0    0.022   0.022     9.422    5.833    5.833
LGA    H    76_F      H    76_A    11.761     0    0.634   1.330    13.966    0.000    0.000
LGA    C    77_F      C    77_A    12.028     0    0.225   0.626    12.854    0.000    0.000
LGA    Q    78_F      Q    78_A    13.086     0    0.475   1.223    17.784    0.000    0.000
LGA    A    79_F      A    79_A    11.154     0    0.621   0.630    11.850    0.000    0.000
LGA    P    80_F      P    80_A    10.914     0    0.702   0.670    12.465    2.500    1.429
LGA    L    81_F      L    81_A     6.826     0    0.619   1.219    12.396   17.738    9.464
LGA    N    82_F      N    82_A     1.743     0    0.626   1.097     5.997   66.905   55.893
LGA    A    83_F      A    83_A     3.308     0    0.092   0.092     3.765   50.119   48.762
LGA    F    84_F      F    84_A     3.165     0    0.260   1.254     9.975   51.786   27.835
LGA    S    85_F      S    85_A     3.173     0    0.180   0.577     3.740   59.405   55.159
LGA    F    86_F      F    86_A     0.486     0    0.042   0.114     3.746   81.786   67.879
LGA    V    87_F      V    87_A     2.353     0    0.033   0.102     5.703   75.119   57.483
LGA    L    88_F      L    88_A     3.537     0    0.130   1.429    10.257   55.833   30.833
LGA    P    89_F      P    89_A     3.356     0    0.621   0.566     6.411   42.857   40.136
LGA    G    90_F      G    90_A     7.916     0    0.231   0.231     9.427    9.286    9.286
LGA    V    91_F      V    91_A     4.838     0    0.577   0.620     6.768   32.976   32.245
LGA    N    92_F      N    92_A     7.211     0    0.592   1.109    10.061    8.214    9.107
LGA    D    93_F      D    93_A    13.269     0    0.035   1.256    15.341    0.000    0.000
LGA    R    94_F      R    94_A    20.053     0    0.461   1.037    29.730    0.000    0.000
LGA    A    95_F      A    95_A    19.318     0    0.547   0.558    19.318    0.000    0.000
LGA    T    96_F      T    96_A    15.294     0    0.626   0.573    16.548    0.000    0.000
LGA    V    97_F      V    97_A    14.227     0    0.204   0.197    17.074    0.000    0.000
LGA    A    98_F      A    98_A    16.397     0    0.275   0.298    16.995    0.000    0.000
LGA    T    99_F      T    99_A    16.066     0    0.080   1.092    16.099    0.000    0.000
LGA    A   100_F      A   100_A    15.034     0    0.032   0.034    15.664    0.000    0.000
LGA    D   101_F      D   101_A    12.754     0    0.027   0.788    14.116    0.000    0.000
LGA    E   102_F      E   102_A    12.295     0    0.017   1.350    13.888    0.000    0.000
LGA    A   103_F      A   103_A    12.442     0    0.075   0.096    13.246    0.000    0.000
LGA    K   104_F      K   104_A    11.062     0    0.033   1.219    15.078    0.119    0.053
LGA    K   105_F      K   105_A     8.936     0    0.087   0.913    10.806    2.381    1.693
LGA    W   106_F      W   106_A    10.586     0    0.172   0.477    12.600    0.000    0.000
LGA    E   107_F      E   107_A    10.519     0    0.624   1.015    10.728    0.119    0.317
LGA    N   108_F      N   108_A     7.467     0    0.177   0.917     8.972   10.357    7.619
LGA    C   109_F      C   109_A     5.686     0    0.038   0.772     9.060   24.048   18.492
LGA    D   110_F      D   110_A     2.454     0    0.194   0.650     4.262   52.262   55.893
LGA    A   111_F      A   111_A     1.963     0    0.073   0.117     2.855   79.405   74.952
LGA    T   112_F      T   112_A     0.475     0    0.012   1.004     3.739   90.595   80.000
LGA    L   113_F      L   113_A     0.439     0    0.022   0.222     0.755   97.619   97.619
LGA    T   114_F      T   114_A     0.383     0    0.196   1.139     2.561   97.619   87.483
LGA    G   115_F      G   115_A     2.353     0    0.189   0.189     2.353   68.810   68.810
LGA    L   116_F      L   116_A     1.082     0    0.040   0.900     4.395   90.714   80.774
LGA    Q   117_F      Q   117_A     0.610     0    0.035   0.979     3.713   95.238   77.037
LGA    R   118_F      R   118_A     0.761     0    0.051   0.943     3.946   95.238   74.286
LGA    I   119_F      I   119_A     0.743     0    0.038   0.558     2.081   92.857   85.060
LGA    I   120_F      I   120_A     0.842     0    0.022   0.639     5.393   88.214   72.738
LGA    H   121_F      H   121_A     2.398     0    0.075   1.352     8.988   61.548   34.667
LGA    H   122_F      H   122_A     5.769     0    0.143   1.035     9.092   19.643   14.000
LGA    H   123_F      H   123_A     9.513     0    0.681   1.254    10.633    1.667    4.333
LGA    H   124_F      H   124_A    13.460     0    0.215   1.100    18.111    0.000    0.000

# 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):     6.533          6.416                  7.281           45.537   40.344

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  126  124    4.0     70    1.94    49.395    42.183     3.439

LGA_LOCAL      RMSD:   1.935  Number of atoms:   70  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   7.871  Number of assigned atoms:  124 
Std_ASGN_ATOMS RMSD:   6.533  Standard rmsd on all 124 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.249748 * X  +  -0.364508 * Y  +   0.897084 * Z  +  85.123039
  Y_new =   0.755559 * X  +   0.506060 * Y  +   0.415973 * Z  + -29.238516
  Z_new =  -0.605604 * X  +   0.781689 * Y  +   0.149020 * Z  +  30.105537 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.890038  0.650524  1.382418   [DEG:  108.2912   37.2723   79.2067 ]
ZXZ:  2.004980  1.421219 -0.659146   [DEG:  114.8769   81.4299  -37.7663 ]
 
# END of job
