
#######################################################
#                                                     #
#                        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  113 (  835),  selected  112 , name one
# Molecule2: number of CA atoms  112 (  831),  selected  112 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   109       5_A - 113_A       4.81     6.39
  LCS_AVERAGE:     95.10

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    24      10_A - 33_A        1.96     8.05
  LCS_AVERAGE:     15.34

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    14      66_A - 79_A        0.92     8.62
  LCS_AVERAGE:      8.40

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  112
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     P     2_A     P     2_A      3    6   12      3    3    3    4    5    6    7   10   11   14   19   21   23   26   29   31   32   41   44   46 
LCS_GDT     M     3_A     M     3_A      5    6   18      3    5    5    5    6    6    8   12   15   17   22   23   25   26   29   36   38   41   44   52 
LCS_GDT     G     4_A     G     4_A      5    6   18      3    5    5    5    6    8    9   12   13   14   20   23   25   26   35   36   38   46   47   52 
LCS_GDT     L     5_A     L     5_A      5    6  109      3    5    5    5    6    8   12   15   18   20   24   28   34   43   46   50   64   66   70   85 
LCS_GDT     L     6_A     L     6_A      5    7  109      3    5    5    5    6    8    9   12   16   20   24   28   30   48   50   58   66   84   92   99 
LCS_GDT     P     7_A     P     7_A      7    8  109      4    5    7    7    7    8    9   12   19   29   42   47   60   76   85   98  103  106  107  107 
LCS_GDT     L     8_A     L     8_A      7    8  109      4    5    7    7    7   10   21   30   45   55   68   87   97  102  104  105  105  106  107  107 
LCS_GDT     K     9_A     K     9_A      7    8  109      4    5    7   14   17   36   55   70   80   88   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     V    10_A     V    10_A      7   24  109      4    5   13   25   44   62   71   79   83   88   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     T    11_A     T    11_A      7   24  109      4   13   23   37   46   62   71   79   83   88   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     H    12_A     H    12_A     11   24  109      6   17   22   31   41   56   71   79   83   88   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     T    13_A     T    13_A     11   24  109      6   12   23   33   46   62   71   79   83   88   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     T    14_A     T    14_A     11   24  109      6   12   23   37   46   62   71   79   83   88   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     L    15_A     L    15_A     11   24  109      6   12   23   37   46   62   71   79   83   88   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     C    16_A     C    16_A     11   24  109      6    9   18   31   45   61   71   79   83   88   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     W    17_A     W    17_A     11   24  109      6   12   23   37   46   62   71   79   83   88   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     G    18_A     G    18_A     12   24  109      5   12   23   37   46   62   71   79   83   88   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     S    19_A     S    19_A     12   24  109      5   12   23   37   46   56   71   79   83   88   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     T    20_A     T    20_A     12   24  109      5   17   23   37   46   62   71   79   83   88   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     K    21_A     K    21_A     12   24  109      5   17   23   37   46   56   71   79   83   88   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     L    22_A     L    22_A     12   24  109      6   17   23   36   46   55   69   79   83   88   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     R    23_A     R    23_A     12   24  109      3   13   20   28   36   43   55   65   78   87   90   95   99  102  104  105  105  106  107  107 
LCS_GDT     T    24_A     T    24_A     12   24  109      6   17   23   31   41   55   67   79   83   87   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     D    25_A     D    25_A     12   24  109      6   17   23   31   44   55   70   79   83   88   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     V    26_A     V    26_A     12   24  109      8   17   23   37   46   62   71   79   83   88   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     R    27_A     R    27_A     12   24  109      8   17   23   37   46   62   71   79   83   88   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     K    28_A     K    28_A     12   24  109      8   17   23   37   46   62   71   79   83   88   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     S    29_A     S    29_A     12   24  109      8   17   23   37   46   62   71   79   83   88   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     M    30_A     M    30_A     12   24  109      8   17   23   37   46   62   71   79   83   88   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     Q    31_A     Q    31_A     12   24  109      8   16   23   37   46   62   71   79   83   88   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     V    32_A     V    32_A      8   24  109      5   10   16   30   46   62   71   79   83   88   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     K    33_A     K    33_A      8   24  109      5    9   16   30   44   62   71   79   83   88   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     N    34_A     N    34_A      7   21  109      5    9   13   26   39   60   70   79   83   88   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     T    35_A     T    35_A      9   21  109      3    8   16   23   40   58   70   79   83   88   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     A    36_A     A    36_A     13   21  109      5   10   16   30   44   62   71   79   83   88   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     D    37_A     D    37_A     13   21  109      5   10   16   30   44   62   71   79   83   88   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     K    38_A     K    38_A     13   21  109      5   11   17   28   44   62   71   79   83   88   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     R    39_A     R    39_A     13   21  109      5   11   17   28   44   62   71   79   83   88   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     L    40_A     L    40_A     13   21  109      6    6   17   28   36   56   71   79   83   88   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     V    41_A     V    41_A     13   21  109      6   11   17   28   43   62   71   79   83   88   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     I    42_A     I    42_A     13   21  109      6   11   17   28   43   62   71   79   83   88   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     R    43_A     R    43_A     13   21  109      6   11   17   30   44   62   71   79   83   88   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     L    44_A     L    44_A     13   21  109      6   10   17   30   44   62   71   79   83   88   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     G    45_A     G    45_A     13   21  109      4   11   15   30   43   62   71   79   83   88   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     I    46_A     I    46_A     13   21  109      4   11   17   30   43   62   71   79   83   88   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     Q    47_A     Q    47_A     13   21  109      5   11   15   27   39   59   70   79   83   88   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     G    48_A     G    48_A     13   21  109      4   11   15   19   32   49   61   72   81   87   92   97   99  102  104  105  105  106  107  107 
LCS_GDT     P    49_A     P    49_A     13   21  109      4    4   14   18   23   35   48   59   70   78   86   93   99  101  103  105  105  106  107  107 
LCS_GDT     G    50_A     G    50_A     13   21  109      5   11   15   22   33   49   61   72   81   87   92   97   99  102  104  105  105  106  107  107 
LCS_GDT     F    51_A     F    51_A      5   19  109      4    4   17   31   44   62   71   79   83   88   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     Q    52_A     Q    52_A      5   16  109      4    5   13   32   46   62   71   79   83   88   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     L    53_A     L    53_A      4   15  109      4    5   13   25   46   62   71   79   83   88   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     V    54_A     V    54_A      4    7  109      4   11   19   37   46   62   71   79   83   88   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     G    55_A     G    55_A      4    7  109      3    5   14   34   46   62   71   79   83   88   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     T    56_A     T    56_A      4    7  109      0    5   10   26   38   60   70   79   83   88   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     D    57_A     D    57_A      4    7  109      3    3    4    6    9   16   38   47   66   77   86   96   99  102  104  105  105  106  107  107 
LCS_GDT     S    58_A     S    58_A      4    7  109      3    8   12   19   24   40   51   67   77   84   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     S    59_A     S    59_A      4    6  109      3    5    8   15   20   29   38   52   66   82   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     T    60_A     T    60_A      4    6  109      6   11   17   30   44   62   71   79   83   88   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     I    61_A     I    61_A      4    8  109      3    3    6   18   26   39   55   69   82   88   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     T    62_A     T    62_A      5    8  109      3    5    5   14   26   39   55   72   83   88   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     L    63_A     L    63_A      5   18  109      3    5    6   18   37   61   71   79   83   88   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     Q    64_A     Q    64_A      5   18  109      5    9   19   22   26   53   68   79   83   87   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     A    65_A     A    65_A      5   19  109      3    5    5   15   24   30   36   58   81   87   91   96   99  101  104  105  105  106  107  107 
LCS_GDT     M    66_A     M    66_A     14   22  109      3   14   23   37   46   62   71   79   83   88   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     E    67_A     E    67_A     14   22  109      5   15   23   37   46   62   71   79   83   88   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     C    68_A     C    68_A     14   22  109      5   15   23   37   46   61   71   79   83   88   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     R    69_A     R    69_A     14   22  109      5   10   19   26   45   58   71   79   83   88   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     S    70_A     S    70_A     14   22  109      4   15   23   37   46   62   71   79   83   88   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     V    71_A     V    71_A     14   22  109      5   15   23   37   46   62   71   79   83   88   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     V    72_A     V    72_A     14   22  109      6   16   23   37   46   62   71   79   83   88   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     I    73_A     I    73_A     14   22  109      8   16   23   37   46   62   71   79   83   88   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     N    74_A     N    74_A     14   22  109      8   17   23   37   46   62   71   79   83   88   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     F    75_A     F    75_A     14   22  109      6   17   22   36   46   62   71   79   83   88   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     C    76_A     C    76_A     14   22  109      6   17   22   34   46   56   71   79   83   88   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     P    77_A     P    77_A     14   22  109      6   16   22   31   46   61   71   79   83   88   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     T    78_A     T    78_A     14   22  109      4   13   20   28   36   53   61   78   83   87   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     V    79_A     V    79_A     14   22  109      6   15   20   28   44   55   68   79   83   87   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     C    80_A     C    80_A     11   22  109      5   17   23   37   46   62   71   79   83   88   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     G    81_A     G    81_A      9   22  109      4    9   17   30   44   62   71   79   83   88   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     A    82_A     A    82_A      9   22  109      3   10   20   30   43   60   71   79   83   88   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     A    83_A     A    83_A      6   22  109      3    9   20   30   44   62   71   79   83   88   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     I    84_A     I    84_A      8   22  109      4   17   22   31   44   62   71   79   83   88   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     G    85_A     G    85_A      8   22  109      4   11   21   31   44   62   71   79   83   88   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     A    86_A     A    86_A      8   22  109      4   16   23   37   46   62   71   79   83   88   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     L    87_A     L    87_A      8   22  109      4   11   19   37   46   62   71   79   83   88   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     S    88_A     S    88_A      8   13  109      4   11   19   37   46   62   71   79   83   88   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     F    89_A     F    89_A      8   13  109      4   11   19   31   46   62   71   79   83   88   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     Y    90_A     Y    90_A      8   13  109      4   11   17   31   46   62   71   79   83   88   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     A    91_A     A    91_A      8   13  109      4   11   17   28   44   62   71   79   83   88   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     P    92_A     P    92_A      8   13  109      4    6   15   26   40   56   69   77   83   88   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     P    93_A     P    93_A      7   13  109      3    5    8   17   34   48   63   73   81   88   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     G    94_A     G    94_A      5   11  109      3    4    7   15   30   45   58   70   81   88   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     A    95_A     A    95_A      4   10  109      3    3    4    6   19   43   57   70   81   88   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     H    96_A     H    96_A      4    8  109      3    4    5    7   23   38   47   64   81   88   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     N    97_A     N    97_A      4    5  109      3    4    5    8   12   15   22   41   57   73   86   93   98  102  104  105  105  106  107  107 
LCS_GDT     S    98_A     S    98_A      4    5  109      3    4    4    9   14   24   34   48   65   78   88   94   98  102  104  105  105  106  107  107 
LCS_GDT     N    99_A     N    99_A      4    5  109      3    4    5    7   10   13   18   36   47   58   71   85   91   98  101  104  105  106  107  107 
LCS_GDT     Q   100_A     Q   100_A      4    6  109      3    3    7   12   18   33   48   64   76   85   92   96   99  102  104  105  105  106  107  107 
LCS_GDT     P   101_A     P   101_A      4   12  109      3    3    5   12   27   43   56   70   81   88   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     G   102_A     G   102_A     11   12  109      5   12   19   37   46   62   71   79   83   88   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     L   103_A     L   103_A     11   12  109      6   12   19   37   46   62   71   79   83   88   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     E   104_A     E   104_A     11   12  109      6   12   23   37   46   62   71   79   83   88   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     I   105_A     I   105_A     11   12  109      6   12   23   37   46   62   71   79   83   88   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     P   106_A     P   106_A     11   12  109      5   12   23   37   46   62   71   79   83   88   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     L   107_A     L   107_A     11   12  109      5   16   23   37   46   62   71   79   83   88   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     Y   108_A     Y   108_A     11   12  109      5   16   23   37   46   62   71   79   83   88   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     G   109_A     G   109_A     11   12  109      5   17   22   37   46   62   71   79   83   88   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     Y   110_A     Y   110_A     11   12  109      5   16   22   31   45   62   71   79   83   88   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     G   111_A     G   111_A     11   12  109      5   17   23   37   46   62   71   79   83   88   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     G   112_A     G   112_A     11   12  109      5   17   23   37   46   62   71   79   83   88   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     S   113_A     S   113_A      5   12  109      3    3    6   21   34   51   64   77   83   88   93   97   99  102  104  105  105  106  107  107 
LCS_AVERAGE  LCS_A:  39.61  (   8.40   15.34   95.10 )

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      8     17     23     37     46     62     71     79     83     88     93     97     99    102    104    105    105    106    107    107 
GDT PERCENT_AT   7.14  15.18  20.54  33.04  41.07  55.36  63.39  70.54  74.11  78.57  83.04  86.61  88.39  91.07  92.86  93.75  93.75  94.64  95.54  95.54
GDT RMS_LOCAL    0.34   0.66   1.06   1.52   1.73   2.22   2.38   2.60   2.70   3.00   3.23   3.36   3.44   3.76   3.84   3.91   3.91   4.17   4.20   4.20
GDT RMS_ALL_AT   8.11  10.82   8.90   7.84   7.74   7.07   7.15   7.25   7.24   6.84   6.80   6.87   6.91   6.63   6.66   6.68   6.68   6.53   6.55   6.55

# Checking swapping
#   possible swapping detected:  D    25_A      D    25_A
#   possible swapping detected:  F    51_A      F    51_A
#   possible swapping detected:  D    57_A      D    57_A
#   possible swapping detected:  F    75_A      F    75_A
#   possible swapping detected:  F    89_A      F    89_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    P     2_A      P     2_A    31.272     0    0.359   0.500    31.824    0.000    0.000
LGA    M     3_A      M     3_A    31.597     0    0.013   0.110    35.666    0.000    0.000
LGA    G     4_A      G     4_A    28.642     0    0.381   0.381    29.014    0.000    0.000
LGA    L     5_A      L     5_A    22.118     0    0.077   0.636    24.465    0.000    0.000
LGA    L     6_A      L     6_A    19.618     0    0.323   0.987    24.342    0.000    0.000
LGA    P     7_A      P     7_A    14.293     0    0.375   0.362    19.041    0.000    0.000
LGA    L     8_A      L     8_A    10.389     0    0.059   0.935    11.911    2.500    1.250
LGA    K     9_A      K     9_A     6.440     0    0.062   1.049     7.922   17.976   17.566
LGA    V    10_A      V    10_A     3.113     0    0.030   0.264     4.172   54.167   50.544
LGA    T    11_A      T    11_A     1.369     0    0.018   1.207     3.185   71.429   69.864
LGA    H    12_A      H    12_A     3.535     0    0.648   1.597    10.223   59.524   30.429
LGA    T    13_A      T    13_A     2.797     0    0.154   0.403     4.456   59.167   53.401
LGA    T    14_A      T    14_A     2.105     0    0.033   0.786     4.680   68.810   61.224
LGA    L    15_A      L    15_A     1.485     0    0.046   0.114     2.534   69.048   78.631
LGA    C    16_A      C    16_A     3.081     0    0.028   0.679     4.521   61.071   52.143
LGA    W    17_A      W    17_A     2.184     0    0.040   0.545     3.613   55.595   76.122
LGA    G    18_A      G    18_A     2.643     0    0.050   0.050     2.669   60.952   60.952
LGA    S    19_A      S    19_A     3.192     0    0.002   0.057     4.054   55.476   50.397
LGA    T    20_A      T    20_A     2.317     0    0.011   0.096     3.706   53.810   60.884
LGA    K    21_A      K    21_A     3.465     0    0.071   0.935     4.965   51.786   41.746
LGA    L    22_A      L    22_A     3.883     0    0.036   0.155     5.099   36.071   38.988
LGA    R    23_A      R    23_A     5.884     0    0.035   1.307     7.664   22.857   19.351
LGA    T    24_A      T    24_A     4.257     0    0.108   0.709     4.512   40.476   40.816
LGA    D    25_A      D    25_A     3.733     0    0.006   1.186     7.722   46.905   32.798
LGA    V    26_A      V    26_A     2.003     0    0.060   1.186     3.392   62.857   65.102
LGA    R    27_A      R    27_A     2.285     0    0.081   0.483     7.430   66.786   42.857
LGA    K    28_A      K    28_A     1.966     0    0.035   1.305     3.286   66.786   64.286
LGA    S    29_A      S    29_A     2.194     0    0.051   0.180     2.409   64.762   64.762
LGA    M    30_A      M    30_A     2.247     0    0.008   1.075     7.783   66.786   50.774
LGA    Q    31_A      Q    31_A     2.124     0    0.048   0.994     3.946   64.881   55.132
LGA    V    32_A      V    32_A     1.896     0    0.042   1.015     3.387   77.143   70.884
LGA    K    33_A      K    33_A     2.733     0    0.010   1.312     6.978   48.690   35.450
LGA    N    34_A      N    34_A     4.089     0    0.031   0.400     8.215   56.429   38.155
LGA    T    35_A      T    35_A     4.104     0    0.511   0.444     7.093   45.357   31.701
LGA    A    36_A      A    36_A     2.863     0    0.035   0.048     3.477   59.167   57.333
LGA    D    37_A      D    37_A     1.660     0    0.144   0.972     6.081   72.857   56.250
LGA    K    38_A      K    38_A     2.846     0    0.024   0.616     7.889   62.976   43.915
LGA    R    39_A      R    39_A     3.078     0    0.198   0.956     9.818   51.786   27.662
LGA    L    40_A      L    40_A     3.656     0    0.064   0.902     6.769   45.000   34.167
LGA    V    41_A      V    41_A     3.149     0    0.034   0.060     3.290   51.786   52.041
LGA    I    42_A      I    42_A     2.966     0    0.019   1.284     7.361   53.571   45.655
LGA    R    43_A      R    43_A     2.745     0    0.053   0.988     3.797   57.143   61.039
LGA    L    44_A      L    44_A     2.673     0    0.025   0.727     4.996   57.143   50.417
LGA    G    45_A      G    45_A     3.094     0    0.070   0.070     3.094   53.571   53.571
LGA    I    46_A      I    46_A     3.050     0    0.051   1.209     4.845   46.667   43.750
LGA    Q    47_A      Q    47_A     4.069     0    0.083   0.850     6.310   37.262   35.238
LGA    G    48_A      G    48_A     5.799     0    0.217   0.217     6.118   22.738   22.738
LGA    P    49_A      P    49_A     8.303     0    0.012   0.038    10.828    7.262    4.354
LGA    G    50_A      G    50_A     5.791     0    0.282   0.282     6.569   27.262   27.262
LGA    F    51_A      F    51_A     2.431     0    0.019   1.184     7.897   73.929   44.113
LGA    Q    52_A      Q    52_A     2.129     0    0.188   1.063    10.163   79.643   43.280
LGA    L    53_A      L    53_A     2.409     0    0.317   1.143     5.966   59.405   49.524
LGA    V    54_A      V    54_A     2.116     0    0.073   1.031     3.885   68.810   58.844
LGA    G    55_A      G    55_A     1.901     0    0.640   0.640     1.901   72.857   72.857
LGA    T    56_A      T    56_A     4.047     0    0.494   1.016     7.304   29.643   25.170
LGA    D    57_A      D    57_A     7.817     0    0.584   0.690    10.788   12.143    6.369
LGA    S    58_A      S    58_A     6.787     0    0.158   0.713     7.483   11.667   12.222
LGA    S    59_A      S    59_A     7.508     0    0.230   0.425     8.390   11.905    9.524
LGA    T    60_A      T    60_A     3.039     0    0.642   1.285     5.652   37.976   52.993
LGA    I    61_A      I    61_A     4.686     0    0.115   0.167     7.261   38.810   28.155
LGA    T    62_A      T    62_A     4.466     0    0.199   0.213     4.802   34.286   34.694
LGA    L    63_A      L    63_A     3.254     0    0.230   0.893     4.502   50.119   44.464
LGA    Q    64_A      Q    64_A     4.317     0    0.062   1.235     6.903   43.571   33.333
LGA    A    65_A      A    65_A     5.657     0    0.630   0.583     7.212   24.048   21.238
LGA    M    66_A      M    66_A     2.222     0    0.199   1.196     6.497   60.952   49.762
LGA    E    67_A      E    67_A     2.827     0    0.169   0.968     3.495   65.119   59.153
LGA    C    68_A      C    68_A     3.273     0    0.025   0.753     7.341   42.024   35.873
LGA    R    69_A      R    69_A     3.364     0    0.086   1.569     7.971   59.286   38.009
LGA    S    70_A      S    70_A     2.520     0    0.060   0.180     3.118   57.262   56.032
LGA    V    71_A      V    71_A     2.211     0    0.046   1.046     4.146   68.810   66.803
LGA    V    72_A      V    72_A     1.924     0    0.043   0.084     2.328   66.786   69.388
LGA    I    73_A      I    73_A     2.273     0    0.019   0.136     2.444   64.762   64.762
LGA    N    74_A      N    74_A     2.389     0    0.047   0.944     3.029   59.167   64.048
LGA    F    75_A      F    75_A     2.540     0    0.062   0.860     2.657   60.952   69.524
LGA    C    76_A      C    76_A     3.236     0    0.145   0.801     4.209   46.786   51.984
LGA    P    77_A      P    77_A     2.818     0    0.084   0.113     3.397   53.571   63.061
LGA    T    78_A      T    78_A     4.835     0    0.125   0.139     6.121   30.357   25.918
LGA    V    79_A      V    79_A     4.098     0    0.019   1.190     7.252   49.048   38.503
LGA    C    80_A      C    80_A     1.250     0    0.136   0.842     3.846   79.524   71.032
LGA    G    81_A      G    81_A     3.282     0    0.070   0.070     3.282   63.214   63.214
LGA    A    82_A      A    82_A     3.663     0    0.300   0.340     4.264   46.667   44.762
LGA    A    83_A      A    83_A     2.986     0    0.011   0.014     3.603   53.571   51.524
LGA    I    84_A      I    84_A     2.666     0    0.080   1.098     3.873   60.952   54.702
LGA    G    85_A      G    85_A     2.578     0    0.043   0.043     2.664   65.000   65.000
LGA    A    86_A      A    86_A     1.073     0    0.000   0.000     1.646   81.548   83.333
LGA    L    87_A      L    87_A     1.355     0    0.074   0.198     2.552   79.286   72.083
LGA    S    88_A      S    88_A     1.482     0    0.033   0.094     1.611   79.286   78.571
LGA    F    89_A      F    89_A     2.067     0    0.123   0.590     4.942   64.762   53.463
LGA    Y    90_A      Y    90_A     1.880     0    0.009   1.261    11.001   66.905   37.262
LGA    A    91_A      A    91_A     2.980     0    0.020   0.025     3.368   55.476   54.381
LGA    P    92_A      P    92_A     5.035     0    0.037   0.053     5.990   31.667   28.707
LGA    P    93_A      P    93_A     6.444     0    0.598   0.554     8.698   16.190   12.109
LGA    G    94_A      G    94_A     7.717     0    0.661   0.661     7.717   14.167   14.167
LGA    A    95_A      A    95_A     6.915     0    0.559   0.581     9.740    7.024    6.571
LGA    H    96_A      H    96_A     8.104     0    0.019   0.210    13.845    9.048    4.333
LGA    N    97_A      N    97_A    11.456     0    0.313   1.097    13.527    0.000    0.000
LGA    S    98_A      S    98_A    11.040     0    0.631   0.766    12.978    0.000    0.000
LGA    N    99_A      N    99_A    14.446     0    0.530   0.859    20.110    0.000    0.000
LGA    Q   100_A      Q   100_A     8.821     0    0.337   1.332    13.120    4.286    2.434
LGA    P   101_A      P   101_A     6.206     0    0.206   0.261     8.624   33.571   21.020
LGA    G   102_A      G   102_A     2.153     0    0.405   0.405     4.322   55.952   55.952
LGA    L   103_A      L   103_A     2.079     0    0.064   1.368     6.335   72.976   58.333
LGA    E   104_A      E   104_A     1.243     0    0.005   0.341     2.280   79.286   79.630
LGA    I   105_A      I   105_A     0.655     0    0.073   0.618     2.092   90.476   87.262
LGA    P   106_A      P   106_A     0.862     0    0.127   0.377     2.056   90.476   85.510
LGA    L   107_A      L   107_A     0.364     0    0.212   1.286     3.389   95.357   84.524
LGA    Y   108_A      Y   108_A     0.544     0    0.031   1.378     9.463   90.476   55.198
LGA    G   109_A      G   109_A     0.607     0    0.208   0.208     2.501   79.881   79.881
LGA    Y   110_A      Y   110_A     1.632     0    0.220   1.121    10.018   81.548   42.341
LGA    G   111_A      G   111_A     0.831     0    0.172   0.172     1.767   86.190   86.190
LGA    G   112_A      G   112_A     1.494     0    0.047   0.047     4.125   62.500   62.500
LGA    S   113_A      S   113_A     4.809     0    0.104   0.526     5.921   31.071   27.857

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      112     448    448  100.00     831    831  100.00               112
SUMMARY(RMSD_GDC):     6.214          6.095                  6.585           48.896   43.617

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  113  112    4.0     79    2.60    53.125    46.923     2.927

LGA_LOCAL      RMSD:   2.599  Number of atoms:   79  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   7.248  Number of assigned atoms:  112 
Std_ASGN_ATOMS RMSD:   6.214  Standard rmsd on all 112 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.949744 * X  +  -0.293787 * Y  +   0.108056 * Z  +  -1.318288
  Y_new =   0.030576 * X  +  -0.256480 * Y  +  -0.966066 * Z  + -11.254156
  Z_new =   0.311532 * X  +   0.920819 * Y  +  -0.234607 * Z  + -38.547863 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.032183 -0.316805  1.820270   [DEG:    1.8439  -18.1516  104.2938 ]
ZXZ:  0.111389  1.807611  0.326232   [DEG:    6.3821  103.5685   18.6917 ]
 
# END of job
