
#######################################################
#                                                     #
#                        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        4.80     7.20
  LCS_AVERAGE:     56.89

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    73       2_A - 74_A        1.96     7.34
  LCS_AVERAGE:     40.11

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    44      26_A - 69_A        0.97     7.33
  LCS_AVERAGE:     18.89

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   70   88      4    4    4   10   13   18   33   59   87   90   94   95  100  102  103  105  106  109  110  111 
LCS_GDT     F     2_F     F     2_A      4   73   88      4    4    4    4    6   61   74   86   89   91   95   99  100  102  103  105  106  109  110  111 
LCS_GDT     T     3_F     T     3_A     12   73   88      5    7   64   68   75   81   85   88   92   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     G     4_F     G     4_A     16   73   88     12   46   64   68   75   81   85   88   92   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     W     5_F     W     5_A     16   73   88     26   58   64   68   75   81   85   88   92   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     S     6_F     S     6_A     16   73   88     39   58   64   68   75   81   85   88   92   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     P     7_F     P     7_A     16   73   88     41   58   64   68   75   81   85   88   92   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     F     8_F     F     8_A     16   73   88     41   58   64   68   75   81   85   88   92   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     K     9_F     K     9_A     16   73   88     41   58   64   68   75   81   85   88   92   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     Y    10_F     Y    10_A     16   73   88     38   58   64   68   75   81   85   88   92   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     S    11_F     S    11_A     16   73   88     41   58   64   68   75   81   85   88   92   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     K    12_F     K    12_A     16   73   88     37   58   64   68   75   81   85   88   92   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     G    13_F     G    13_A     16   73   88      9   57   63   68   75   81   85   88   92   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     N    14_F     N    14_A     16   73   88      7   50   63   68   75   81   85   88   92   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     T    15_F     T    15_A     16   73   88      6   26   60   68   75   81   85   88   92   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     V    16_F     V    16_A     16   73   88      6   16   24   42   73   81   85   88   92   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     T    17_F     T    17_A     16   73   88      7   16   37   68   75   81   85   88   92   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     F    18_F     F    18_A     16   73   88      7   18   48   68   75   81   85   88   92   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     K    19_F     K    19_A     16   73   88      6   18   51   68   75   81   85   88   92   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     T    20_F     T    20_A      6   73   88      4   58   64   68   75   81   85   88   92   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     P    21_F     P    21_A      6   73   88      4    7   13   55   65   80   85   88   92   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     D    22_F     D    22_A      6   73   88      4    5   34   59   65   75   84   88   92   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     E    23_F     E    23_A      5   73   88      3    6   13   59   65   75   83   88   92   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     S    24_F     S    24_A     40   73   88      3    5   34   59   65   76   85   88   92   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     S    25_F     S    25_A     41   73   88      3    3   53   66   75   81   85   88   92   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     I    26_F     I    26_A     44   73   88     41   58   64   68   75   81   85   88   92   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     A    27_F     A    27_A     44   73   88     41   58   64   68   75   81   85   88   92   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     Y    28_F     Y    28_A     44   73   88     41   58   64   68   75   81   85   88   92   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     M    29_F     M    29_A     44   73   88     41   58   64   68   75   81   85   88   92   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     R    30_F     R    30_A     44   73   88     41   58   64   68   75   81   85   88   92   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     F    31_F     F    31_A     44   73   88     41   58   64   68   75   81   85   88   92   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     R    32_F     R    32_A     44   73   88     41   58   64   68   75   81   85   88   92   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     N    33_F     N    33_A     44   73   88     41   58   64   68   75   81   85   88   92   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     C    34_F     C    34_A     44   73   88     41   58   64   68   75   81   85   88   92   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     V    35_F     V    35_A     44   73   88     41   58   64   68   75   81   85   88   92   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     F    36_F     F    36_A     44   73   88     41   58   64   68   75   81   85   88   92   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     T    37_F     T    37_A     44   73   88     41   58   64   68   75   81   85   88   92   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     F    38_F     F    38_A     44   73   88     41   58   64   68   75   81   85   88   92   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     T    39_F     T    39_A     44   73   88     35   58   64   68   75   81   85   88   92   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     D    40_F     D    40_A     44   73   88     35   58   64   68   75   81   85   88   92   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     P    41_F     P    41_A     44   73   88     34   58   64   68   75   81   85   88   92   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     K    42_F     K    42_A     44   73   88     41   58   64   68   75   81   85   88   92   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     G    43_F     G    43_A     44   73   88     41   58   64   68   75   81   85   88   92   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     S    44_F     S    44_A     44   73   88     39   58   64   68   75   81   85   88   92   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     L    45_F     L    45_A     44   73   88     41   58   64   68   75   81   85   88   92   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     H    46_F     H    46_A     44   73   88     41   58   64   68   75   81   85   88   92   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     S    47_F     S    47_A     44   73   88     41   58   64   68   75   81   85   88   92   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     I    48_F     I    48_A     44   73   88     25   58   64   68   75   81   85   88   92   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     D    49_F     D    49_A     44   73   88     41   58   64   68   75   81   85   88   92   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     V    50_F     V    50_A     44   73   88     41   58   64   68   75   81   85   88   92   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     T    51_F     T    51_A     44   73   88     41   58   64   68   75   81   85   88   92   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     E    52_F     E    52_A     44   73   88     41   58   64   68   75   81   85   88   92   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     V    53_F     V    53_A     44   73   88     41   58   64   68   75   81   85   88   92   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     L    54_F     L    54_A     44   73   88     41   58   64   68   75   81   85   88   92   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     N    55_F     N    55_A     44   73   88     41   58   64   68   75   81   85   88   92   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     N    56_F     N    56_A     44   73   88     41   58   64   68   75   81   85   88   92   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     M    57_F     M    57_A     44   73   88     38   58   64   68   75   81   85   88   92   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     A    58_F     A    58_A     44   73   88     41   58   64   68   75   81   85   88   92   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     K    59_F     K    59_A     44   73   88     41   58   64   68   75   81   85   88   92   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     G    60_F     G    60_A     44   73   88     41   58   64   68   75   81   85   88   92   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     F    61_F     F    61_A     44   73   88     33   58   64   68   75   81   85   88   92   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     R    62_F     R    62_A     44   73   88     39   58   64   68   75   81   85   88   92   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     D    63_F     D    63_A     44   73   88      6   45   64   68   75   81   85   88   92   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     A    64_F     A    64_A     44   73   88      6   18   58   68   75   81   85   88   92   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     Q    65_F     Q    65_A     44   73   88      6   16   40   66   74   81   85   88   92   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     N    66_F     N    66_A     44   73   88      6   16   42   68   74   81   85   88   92   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     P    67_F     P    67_A     44   73   88      6   48   64   68   75   81   85   88   92   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     P    68_F     P    68_A     44   73   88     16   52   64   68   75   81   85   88   92   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     S    69_F     S    69_A     44   73   88      5   40   64   68   75   81   85   88   92   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     S    70_F     S    70_A     42   73   88      9   37   63   68   75   81   85   88   92   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     F    71_F     F    71_A     16   73   88      6   22   54   67   75   81   85   88   92   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     T    72_F     T    72_A     16   73   88      4   18   54   68   75   81   85   88   92   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     L    73_F     L    73_A     16   73   88      4   16   24   42   70   80   85   88   92   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     G    74_F     G    74_A     16   73   88      4   13   23   39   57   76   83   87   90   94   97   98   99  101  103  105  106  109  110  111 
LCS_GDT     G    75_F     G    75_A      5   53   88      4    4   13   22   28   34   53   60   72   80   89   94   95   99  103  104  106  108  110  111 
LCS_GDT     H    76_F     H    76_A      5   29   88      4    4   11   22   27   34   53   60   68   79   87   93   95   99  102  104  105  107  110  111 
LCS_GDT     C    77_F     C    77_A      3   27   88      3    3    8   10   21   35   56   70   80   86   91   94   98  101  103  105  106  109  110  111 
LCS_GDT     Q    78_F     Q    78_A      3    5   88      3    3    3    4    4    5    7   24   45   85   90   95   98  101  103  105  106  109  110  111 
LCS_GDT     A    79_F     A    79_A      3    5   88      3    3    5    8    9   10   12   13   13   17   19   21   90  100  102  105  106  109  110  111 
LCS_GDT     P    80_F     P    80_A      3    5   88      3    3    4    5    5    6    8   10   11   17   19   19   21   22   24   30   30   31   34  106 
LCS_GDT     L    81_F     L    81_A      5    6   88      3    4    5    6    6    6    8    9   12   17   19   19   21   22   24   30   51  104  107  109 
LCS_GDT     N    82_F     N    82_A      5    6   88      3    4    5    8    9   10   12   13   14   72   82   88   96  100  102  105  106  109  110  111 
LCS_GDT     A    83_F     A    83_A      5    6   88      3    4    6   17   35   59   72   82   90   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     F    84_F     F    84_A      5    6   88      3    6   21   36   69   76   82   87   92   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     S    85_F     S    85_A      8    8   88      3    6    8   26   40   65   80   85   90   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     F    86_F     F    86_A      8    8   88      3    7    8    9    9   14   24   42   56   70   85   90   98  100  102  103  106  109  110  111 
LCS_GDT     V    87_F     V    87_A      8    8   88      5    7    8    9    9   13   16   17   17   22   27   33   39   46   53   60   67   85   91   98 
LCS_GDT     L    88_F     L    88_A      8    8   88      5    7    8    9    9   10   12   15   17   17   20   24   26   28   35   39   47   50   57   60 
LCS_GDT     P    89_F     P    89_A      8    8   19      5    7    8    9    9   10   12   13   13   17   19   19   21   24   26   29   32   35   40   44 
LCS_GDT     G    90_F     G    90_A      8    8   19      5    7    8    9    9   10   12   13   13   17   19   20   21   24   26   27   32   32   36   39 
LCS_GDT     V    91_F     V    91_A      8    8   19      5    7    8    9    9   10   12   13   13   17   19   20   21   24   26   29   33   35   40   44 
LCS_GDT     N    92_F     N    92_A      8    8   22      3    7    8    9    9   10   12   13   13   17   19   20   22   25   30   33   36   40   47   53 
LCS_GDT     D    93_F     D    93_A      4    5   26      3    4    4    5    5    6    8   11   15   20   28   38   45   52   61   71   78   91   94  101 
LCS_GDT     R    94_F     R    94_A      4    5   28      3    4    4    5    6   12   16   18   28   37   43   50   64   73   87   94   98  100  105  109 
LCS_GDT     A    95_F     A    95_A      3    5   29      3    3    4    5   11   13   16   18   21   24   31   34   44   55   58   70   77   82   94  100 
LCS_GDT     T    96_F     T    96_A      3    4   29      3    3    5    7    9   13   16   20   27   33   43   52   65   75   90   94   98  104  107  109 
LCS_GDT     V    97_F     V    97_A      3   16   29      3    3    3    4    7   13   20   31   37   43   53   67   82   93   95  103  105  107  109  111 
LCS_GDT     A    98_F     A    98_A     12   16   29      3    8    9   16   21   28   32   37   44   50   71   88   94  100  102  105  106  109  110  111 
LCS_GDT     T    99_F     T    99_A     13   16   29      7   11   19   25   29   35   43   55   78   85   93   97   99  102  103  105  106  109  110  111 
LCS_GDT     A   100_F     A   100_A     13   16   29      7   14   19   25   32   42   64   79   85   91   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     D   101_F     D   101_A     13   16   29      7   11   19   25   31   38   56   79   85   90   97   98  100  102  103  105  106  109  110  111 
LCS_GDT     E   102_F     E   102_A     13   19   29      7   11   19   25   32   38   64   80   85   91   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     A   103_F     A   103_A     13   20   29      7   14   21   27   35   60   79   84   90   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     K   104_F     K   104_A     13   20   29      7   14   21   41   62   75   82   86   92   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     K   105_F     K   105_A     13   20   29      7   14   21   41   64   78   82   86   92   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     W   106_F     W   106_A     13   20   29      6   14   22   54   73   78   84   88   92   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     E   107_F     E   107_A     13   20   29      6   14   29   59   73   78   84   87   92   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     N   108_F     N   108_A     14   20   29      6   22   58   65   74   78   84   88   92   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     C   109_F     C   109_A     14   20   29      6   55   63   68   75   81   85   88   92   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     D   110_F     D   110_A     14   20   29     41   58   64   68   75   81   85   88   92   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     A   111_F     A   111_A     14   20   29     41   58   64   68   75   81   85   88   92   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     T   112_F     T   112_A     14   20   29     41   58   64   68   75   81   85   88   92   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     L   113_F     L   113_A     14   20   29     41   58   64   68   75   81   85   88   92   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     T   114_F     T   114_A     14   20   29     41   58   64   68   75   81   85   88   92   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     G   115_F     G   115_A     14   20   29     41   58   64   68   75   81   85   88   92   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     L   116_F     L   116_A     14   20   29     41   58   64   68   75   81   85   88   92   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     Q   117_F     Q   117_A     14   20   29     41   58   64   68   75   81   85   88   92   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     R   118_F     R   118_A     14   20   29     39   58   64   68   75   81   85   88   92   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     I   119_F     I   119_A     14   20   29     41   58   64   68   75   81   85   88   92   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     I   120_F     I   120_A     14   20   29     41   58   64   68   75   81   85   88   92   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     H   121_F     H   121_A     14   20   29     23   58   64   68   75   81   85   88   92   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     H   122_F     H   122_A     14   20   29      4   13   41   67   74   81   85   88   92   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     H   123_F     H   123_A     14   20   29      4    9   41   66   74   81   85   88   92   94   97   99  100  102  103  105  106  109  110  111 
LCS_GDT     H   124_F     H   124_A      7   19   29      0    3    8   27   51   76   85   88   91   93   97   99  100  102  103  105  106  109  110  111 
LCS_AVERAGE  LCS_A:  38.63  (  18.89   40.11   56.89 )

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     41     58     64     68     75     81     85     88     92     94     97     99    100    102    103    105    106    109    110    111 
GDT PERCENT_AT  33.06  46.77  51.61  54.84  60.48  65.32  68.55  70.97  74.19  75.81  78.23  79.84  80.65  82.26  83.06  84.68  85.48  87.90  88.71  89.52
GDT RMS_LOCAL    0.33   0.50   0.71   0.80   1.09   1.36   1.62   1.79   1.99   2.11   2.28   2.51   2.61   2.82   2.87   3.05   3.15   3.45   3.54   3.65
GDT RMS_ALL_AT   7.22   7.22   7.26   7.24   7.23   7.29   7.33   7.32   7.21   7.17   7.19   7.17   7.17   7.17   7.25   7.24   7.18   7.19   7.20   7.20

# 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    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     7.096     0    0.050   0.752     9.218    8.690   32.143
LGA    F     2_F      F     2_A     5.953     0    0.041   1.383    11.749   36.429   14.589
LGA    T     3_F      T     3_A     2.136     0    0.685   0.976     6.885   67.262   48.571
LGA    G     4_F      G     4_A     2.185     0    0.139   0.139     2.185   72.976   72.976
LGA    W     5_F      W     5_A     1.165     0    0.079   0.136     1.402   81.429   81.429
LGA    S     6_F      S     6_A     0.986     0    0.032   0.229     1.283   88.214   85.952
LGA    P     7_F      P     7_A     0.736     0    0.033   0.231     1.248   90.476   89.184
LGA    F     8_F      F     8_A     0.489     0    0.052   0.188     0.548  100.000   99.134
LGA    K     9_F      K     9_A     0.541     0    0.041   0.397     2.085   92.857   87.672
LGA    Y    10_F      Y    10_A     0.792     0    0.076   1.325     9.041   90.476   54.048
LGA    S    11_F      S    11_A     0.318     0    0.101   0.597     2.088  100.000   94.127
LGA    K    12_F      K    12_A     0.761     0    0.020   0.115     1.497   95.238   88.571
LGA    G    13_F      G    13_A     0.958     0    0.025   0.025     1.627   83.810   83.810
LGA    N    14_F      N    14_A     1.382     0    0.107   0.218     1.943   79.286   77.143
LGA    T    15_F      T    15_A     2.310     0    0.013   0.183     2.719   60.952   66.054
LGA    V    16_F      V    16_A     3.627     0    0.026   0.104     4.939   46.667   40.952
LGA    T    17_F      T    17_A     3.008     0    0.047   0.064     3.144   50.000   53.061
LGA    F    18_F      F    18_A     2.869     0    0.104   0.123     2.971   57.143   57.143
LGA    K    19_F      K    19_A     2.847     0    0.084   0.890     4.518   60.952   54.444
LGA    T    20_F      T    20_A     1.077     0    0.021   0.137     2.334   75.119   79.116
LGA    P    21_F      P    21_A     3.623     0    0.017   0.319     4.665   45.238   47.755
LGA    D    22_F      D    22_A     4.433     0    0.648   0.993     4.891   37.262   38.274
LGA    E    23_F      E    23_A     4.778     0    0.336   0.396     8.085   30.119   22.169
LGA    S    24_F      S    24_A     4.131     0    0.637   0.571     4.818   38.929   36.429
LGA    S    25_F      S    25_A     3.019     0    0.634   0.804     6.375   65.238   51.587
LGA    I    26_F      I    26_A     0.853     0    0.161   1.213     3.216   86.071   77.798
LGA    A    27_F      A    27_A     0.902     0    0.043   0.064     1.043   90.476   88.667
LGA    Y    28_F      Y    28_A     0.892     0    0.007   0.491     1.389   90.476   89.008
LGA    M    29_F      M    29_A     0.422     0    0.034   0.969     1.963   92.857   86.250
LGA    R    30_F      R    30_A     0.806     0    0.116   0.136     1.555   90.476   83.939
LGA    F    31_F      F    31_A     0.474     0    0.039   0.060     0.547   97.619   98.268
LGA    R    32_F      R    32_A     0.413     0    0.016   0.455     1.086  100.000   96.580
LGA    N    33_F      N    33_A     0.357     0    0.026   0.244     1.144  100.000   96.488
LGA    C    34_F      C    34_A     0.337     0    0.149   0.180     0.960   97.619   98.413
LGA    V    35_F      V    35_A     0.307     0    0.065   0.059     0.580  100.000   98.639
LGA    F    36_F      F    36_A     0.286     0    0.047   0.193     0.621  100.000   98.268
LGA    T    37_F      T    37_A     0.347     0    0.041   0.111     0.602  100.000   98.639
LGA    F    38_F      F    38_A     0.330     0    0.046   0.102     0.610   97.619   99.134
LGA    T    39_F      T    39_A     0.216     0    0.180   1.036     2.704   97.619   87.483
LGA    D    40_F      D    40_A     0.862     0    0.043   0.107     1.492   90.476   85.952
LGA    P    41_F      P    41_A     0.925     0    0.041   0.156     1.264   85.952   85.306
LGA    K    42_F      K    42_A     1.469     0    0.053   0.334     3.667   79.286   67.249
LGA    G    43_F      G    43_A     1.209     0    0.031   0.031     1.462   81.429   81.429
LGA    S    44_F      S    44_A     1.497     0    0.078   0.107     1.840   81.429   78.571
LGA    L    45_F      L    45_A     0.764     0    0.099   0.445     1.908   90.476   86.012
LGA    H    46_F      H    46_A     0.747     0    0.038   0.096     1.287   92.857   88.714
LGA    S    47_F      S    47_A     0.595     0    0.076   0.690     1.631   90.476   87.540
LGA    I    48_F      I    48_A     0.836     0    0.052   1.255     3.200   92.857   78.095
LGA    D    49_F      D    49_A     0.463     0    0.019   0.300     1.031   97.619   96.488
LGA    V    50_F      V    50_A     0.431     0    0.036   0.051     0.750  100.000   97.279
LGA    T    51_F      T    51_A     0.237     0    0.014   0.035     0.574   97.619   97.279
LGA    E    52_F      E    52_A     0.538     0    0.074   1.083     5.217   92.857   73.016
LGA    V    53_F      V    53_A     0.693     0    0.070   0.083     1.034   88.214   89.184
LGA    L    54_F      L    54_A     0.474     0    0.021   0.172     0.609   95.238   97.619
LGA    N    55_F      N    55_A     0.678     0    0.035   0.174     1.059   88.214   89.345
LGA    N    56_F      N    56_A     1.043     0    0.065   0.106     1.556   83.690   81.488
LGA    M    57_F      M    57_A     0.875     0    0.032   0.739     2.022   90.476   85.000
LGA    A    58_F      A    58_A     0.717     0    0.036   0.042     0.903   90.476   90.476
LGA    K    59_F      K    59_A     0.958     0    0.053   0.172     1.307   85.952   88.466
LGA    G    60_F      G    60_A     0.989     0    0.143   0.143     1.465   88.214   88.214
LGA    F    61_F      F    61_A     0.975     0    0.094   0.092     1.928   90.476   82.381
LGA    R    62_F      R    62_A     0.869     0    0.113   1.514     3.840   85.952   71.602
LGA    D    63_F      D    63_A     1.214     0    0.037   0.264     2.450   77.381   77.262
LGA    A    64_F      A    64_A     2.045     0    0.063   0.069     2.203   66.786   66.381
LGA    Q    65_F      Q    65_A     2.918     0    0.092   0.387     5.205   55.357   46.138
LGA    N    66_F      N    66_A     2.633     0    0.100   0.813     5.379   60.952   51.667
LGA    P    67_F      P    67_A     1.404     0    0.058   0.060     1.726   79.286   78.980
LGA    P    68_F      P    68_A     1.385     0    0.062   0.139     1.499   81.429   81.429
LGA    S    69_F      S    69_A     1.801     0    0.105   0.219     2.363   75.000   71.587
LGA    S    70_F      S    70_A     1.885     0    0.117   0.202     1.962   72.857   72.857
LGA    F    71_F      F    71_A     2.735     0    0.165   1.107     3.977   59.048   64.069
LGA    T    72_F      T    72_A     2.704     0    0.088   0.081     3.037   53.571   57.279
LGA    L    73_F      L    73_A     3.776     0    0.221   0.314     4.980   40.476   45.417
LGA    G    74_F      G    74_A     4.788     0    0.588   0.588     5.346   32.976   32.976
LGA    G    75_F      G    75_A     8.202     0    0.339   0.339     9.546    4.524    4.524
LGA    H    76_F      H    76_A     9.209     0    0.628   1.028    11.888    3.452    1.571
LGA    C    77_F      C    77_A     7.816     0    0.539   0.713     8.120    7.976    7.302
LGA    Q    78_F      Q    78_A     7.769     0    0.400   1.207     9.473    5.833    7.090
LGA    A    79_F      A    79_A     9.583     0    0.015   0.033    11.123    1.310    1.333
LGA    P    80_F      P    80_A    14.714     0    0.705   0.674    17.006    0.000    0.000
LGA    L    81_F      L    81_A    13.389     0    0.242   1.086    18.429    0.000    0.000
LGA    N    82_F      N    82_A    10.120     0    0.259   1.248    10.908    3.690    1.845
LGA    A    83_F      A    83_A     6.250     0    0.077   0.099     7.812   21.786   20.095
LGA    F    84_F      F    84_A     4.719     0    0.543   1.269     7.474   32.857   20.952
LGA    S    85_F      S    85_A     5.568     0    0.662   0.882     7.073   23.810   19.762
LGA    F    86_F      F    86_A     8.838     0    0.134   1.205    12.731    2.500   26.970
LGA    V    87_F      V    87_A    15.425     0    0.086   0.087    18.941    0.000    0.000
LGA    L    88_F      L    88_A    21.042     0    0.023   1.401    23.834    0.000    0.000
LGA    P    89_F      P    89_A    26.770     0    0.041   0.088    29.295    0.000    0.000
LGA    G    90_F      G    90_A    30.770     0    0.071   0.071    31.734    0.000    0.000
LGA    V    91_F      V    91_A    27.235     0    0.581   0.549    29.183    0.000    0.000
LGA    N    92_F      N    92_A    21.707     0    0.024   1.271    23.699    0.000    0.000
LGA    D    93_F      D    93_A    17.458     0    0.338   1.214    20.927    0.000    0.000
LGA    R    94_F      R    94_A    14.265     0    0.582   0.667    14.995    0.000    0.216
LGA    A    95_F      A    95_A    16.393     0    0.617   0.567    17.379    0.000    0.000
LGA    T    96_F      T    96_A    13.838     0    0.627   0.583    14.928    0.000    0.000
LGA    V    97_F      V    97_A    12.006     0    0.522   0.452    12.895    0.000    0.000
LGA    A    98_F      A    98_A     9.795     0    0.685   0.630    10.835    0.357    0.286
LGA    T    99_F      T    99_A    10.006     0    0.039   0.042    11.849    1.667    0.952
LGA    A   100_F      A   100_A     8.840     0    0.035   0.034     9.438    3.571    3.143
LGA    D   101_F      D   101_A     9.233     0    0.059   0.632    10.117    2.619    1.548
LGA    E   102_F      E   102_A     7.779     0    0.000   1.300    12.011   10.595    6.032
LGA    A   103_F      A   103_A     5.994     0    0.068   0.085     6.744   21.905   20.952
LGA    K   104_F      K   104_A     5.982     0    0.035   1.122    12.370   21.548   11.534
LGA    K   105_F      K   105_A     5.381     0    0.013   0.204     7.985   29.048   20.952
LGA    W   106_F      W   106_A     4.010     0    0.058   0.527     5.024   41.905   37.381
LGA    E   107_F      E   107_A     4.400     0    0.018   0.739     8.790   40.476   24.709
LGA    N   108_F      N   108_A     3.629     0    0.112   0.266     5.606   50.238   40.298
LGA    C   109_F      C   109_A     1.905     0    0.021   0.067     2.554   73.214   71.746
LGA    D   110_F      D   110_A     0.550     0    0.134   0.647     3.537   95.238   80.536
LGA    A   111_F      A   111_A     0.667     0    0.049   0.068     0.758   90.476   90.476
LGA    T   112_F      T   112_A     0.451     0    0.063   0.107     0.684  100.000   97.279
LGA    L   113_F      L   113_A     0.518     0    0.012   0.160     0.937   95.238   92.857
LGA    T   114_F      T   114_A     0.626     0    0.041   0.085     0.830   90.476   90.476
LGA    G   115_F      G   115_A     0.361     0    0.019   0.019     0.589   97.619   97.619
LGA    L   116_F      L   116_A     0.587     0    0.028   0.052     0.670   90.476   90.476
LGA    Q   117_F      Q   117_A     0.751     0    0.040   0.661     2.631   90.476   86.825
LGA    R   118_F      R   118_A     0.915     0    0.051   0.743     3.543   90.476   78.355
LGA    I   119_F      I   119_A     0.774     0    0.011   0.110     1.208   88.214   90.536
LGA    I   120_F      I   120_A     1.241     0    0.117   1.273     4.498   86.071   77.262
LGA    H   121_F      H   121_A     0.631     0    0.039   0.589     5.509   90.476   62.857
LGA    H   122_F      H   122_A     2.252     0    0.138   1.458     7.600   64.881   43.857
LGA    H   123_F      H   123_A     2.775     0    0.241   1.079     3.365   55.476   59.714
LGA    H   124_F      H   124_A     4.486     0    0.577   0.897     6.944   38.690   27.238

# 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):     6.933          6.889                  6.751           60.324   57.131

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  126  124    4.0     88    1.79    64.315    60.078     4.655

LGA_LOCAL      RMSD:   1.790  Number of atoms:   88  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   7.323  Number of assigned atoms:  124 
Std_ASGN_ATOMS RMSD:   6.933  Standard rmsd on all 124 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.915387 * X  +  -0.262042 * Y  +  -0.305615 * Z  + -60.016239
  Y_new =  -0.374627 * X  +  -0.832397 * Y  +  -0.408374 * Z  +  12.302190
  Z_new =  -0.147382 * X  +   0.488312 * Y  +  -0.860134 * Z  +   1.986812 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.388459  0.147921  2.625249   [DEG:  -22.2571    8.4752  150.4157 ]
ZXZ: -0.642457  2.606328 -0.293125   [DEG:  -36.8101  149.3316  -16.7948 ]
 
# END of job
