
#######################################################
#                                                     #
#                        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       4.84     6.30
  LCS_AVERAGE:     95.17

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    24      10_A - 33_A        1.98     8.01
  LCS_AVERAGE:     15.49

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    14      66_A - 79_A        0.85     8.47
  LCS_AVERAGE:      8.33

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    5   19      3    3    3    4    4    5    5    6    7    7    7    9   10   18   33   34   41   43   52   62 
LCS_GDT     M     3_A     M     3_A      3    6   19      3    3    4    6    6    8    9   11   13   14   20   27   33   35   36   37   41   50   56   62 
LCS_GDT     G     4_A     G     4_A      4    6   19      3    4    4    6    6    8    9   11   13   14   16   24   30   31   36   37   41   43   47   56 
LCS_GDT     L     5_A     L     5_A      4    6  109      3    4    4    6    6    8   10   12   18   22   24   27   36   41   48   51   62   65   70   82 
LCS_GDT     L     6_A     L     6_A      4    7  109      3    4    4    6    6    8    9   11   14   20   24   27   38   45   50   57   74   82   89   97 
LCS_GDT     P     7_A     P     7_A      7    8  109      4    6    7    7    7    8   10   12   16   29   41   47   60   72   86   99  103  106  107  107 
LCS_GDT     L     8_A     L     8_A      7    8  109      4    6    7    7    7   10   20   31   43   57   70   87   97  101  104  105  105  106  107  107 
LCS_GDT     K     9_A     K     9_A      7    8  109      4    6    7    9   16   35   47   68   79   88   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     V    10_A     V    10_A      7   24  109      4    6   12   24   41   60   72   80   84   88   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     T    11_A     T    11_A      7   24  109      4   14   23   36   45   63   72   80   84   88   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     H    12_A     H    12_A     11   24  109      7   18   23   31   42   57   72   80   84   88   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     T    13_A     T    13_A     11   24  109      7   11   23   31   45   63   72   80   84   88   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     T    14_A     T    14_A     11   24  109      7   11   23   36   45   63   72   80   84   88   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     L    15_A     L    15_A     11   24  109      7   11   23   36   45   63   72   80   84   88   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     C    16_A     C    16_A     11   24  109      7    9   23   31   45   63   72   80   84   88   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     W    17_A     W    17_A     11   24  109      7    9   23   36   45   63   72   80   84   88   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     G    18_A     G    18_A     12   24  109      3   11   23   31   45   63   72   80   84   88   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     S    19_A     S    19_A     12   24  109      4   11   23   36   45   58   72   80   84   88   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     T    20_A     T    20_A     12   24  109      6   18   23   36   45   63   72   80   84   88   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     K    21_A     K    21_A     12   24  109      7   18   23   36   45   57   72   80   84   88   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     L    22_A     L    22_A     12   24  109      6   18   23   34   45   57   69   80   84   88   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     R    23_A     R    23_A     12   24  109      4   14   22   29   36   45   59   68   81   86   90   95   99  101  104  105  105  106  107  107 
LCS_GDT     T    24_A     T    24_A     12   24  109      7   18   23   30   44   57   67   80   84   88   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     D    25_A     D    25_A     12   24  109      7   18   23   30   44   57   69   80   84   88   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     V    26_A     V    26_A     12   24  109      8   18   23   36   45   63   72   80   84   88   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     R    27_A     R    27_A     12   24  109      8   18   23   36   45   63   72   80   84   88   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     K    28_A     K    28_A     12   24  109      8   18   23   36   45   63   72   80   84   88   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     S    29_A     S    29_A     12   24  109      8   18   23   36   45   63   72   80   84   88   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     M    30_A     M    30_A     12   24  109      8   17   23   36   45   63   72   80   84   88   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     Q    31_A     Q    31_A     12   24  109      8   17   23   36   45   63   72   80   84   88   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     V    32_A     V    32_A      8   24  109      6   12   16   30   43   63   72   80   84   88   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     K    33_A     K    33_A      8   24  109      6    9   16   30   43   63   72   80   84   88   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     N    34_A     N    34_A      7   22  109      5    9   13   26   40   58   69   80   84   88   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     T    35_A     T    35_A      6   22  109      3    8   16   26   40   56   69   79   84   88   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     A    36_A     A    36_A     13   22  109      6    8   16   30   43   63   72   80   84   88   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     D    37_A     D    37_A     13   21  109      5   10   17   30   43   63   72   80   84   88   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     K    38_A     K    38_A     13   20  109      4   10   17   28   43   63   72   80   84   88   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     R    39_A     R    39_A     13   20  109      4   10   17   27   42   63   72   80   84   88   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     L    40_A     L    40_A     13   20  109      6    7   15   26   36   58   72   80   84   88   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     V    41_A     V    41_A     13   20  109      6   10   17   27   41   63   72   80   84   88   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     I    42_A     I    42_A     13   20  109      6   10   16   27   41   63   72   80   84   88   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     R    43_A     R    43_A     13   20  109      6   10   17   30   42   63   72   80   84   88   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     L    44_A     L    44_A     13   20  109      6   10   17   30   42   63   72   80   84   88   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     G    45_A     G    45_A     13   20  109      3   10   15   28   40   61   72   80   84   88   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     I    46_A     I    46_A     13   20  109      3   10   16   30   42   61   72   80   84   88   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     Q    47_A     Q    47_A     13   20  109      4   10   15   25   40   56   69   80   84   88   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     G    48_A     G    48_A     13   20  109      4   10   15   19   30   47   59   70   81   88   92   97   99  101  104  105  105  106  107  107 
LCS_GDT     P    49_A     P    49_A     13   20  109      4    4   12   18   23   34   47   58   68   74   85   92   98  101  103  105  105  105  107  107 
LCS_GDT     G    50_A     G    50_A     10   20  109      4   10   15   23   34   47   59   70   81   88   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     F    51_A     F    51_A      5   18  109      4    4   11   30   43   63   72   80   84   88   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     Q    52_A     Q    52_A      5   15  109      3    5   12   29   45   63   72   80   84   88   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     L    53_A     L    53_A      4   14  109      3    5   12   24   43   63   72   80   84   88   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     V    54_A     V    54_A      4    7  109      3    6   19   36   45   63   72   80   84   88   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     G    55_A     G    55_A      4    7  109      3    6   12   28   45   63   72   80   84   88   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     T    56_A     T    56_A      4    7  109      1    4   12   26   40   58   70   80   84   88   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     D    57_A     D    57_A      4    7  109      3    4    4    6    7   12   32   48   63   77   87   93   99  101  104  105  105  106  107  107 
LCS_GDT     S    58_A     S    58_A      4    7  109      3    4   10   20   24   36   47   66   77   84   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     S    59_A     S    59_A      4    6  109      4    5    9   18   19   27   36   53   76   83   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     T    60_A     T    60_A      4    6  109      6   10   17   30   42   63   72   80   84   88   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     I    61_A     I    61_A      4    8  109      3    4    5   18   24   35   51   64   81   88   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     T    62_A     T    62_A      5    8  109      3    5    5   12   24   40   54   75   84   88   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     L    63_A     L    63_A      5   18  109      3    5   11   25   43   63   72   80   84   88   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     Q    64_A     Q    64_A      5   18  109      5   12   19   22   26   52   68   77   84   88   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     A    65_A     A    65_A      5   19  109      3    5    5    9   20   25   35   53   73   88   90   96   99  101  104  105  105  106  107  107 
LCS_GDT     M    66_A     M    66_A     14   23  109      4   17   23   36   45   63   72   80   84   88   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     E    67_A     E    67_A     14   23  109      5   17   23   36   45   63   72   80   84   88   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     C    68_A     C    68_A     14   23  109      5   17   23   36   45   63   72   80   84   88   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     R    69_A     R    69_A     14   23  109      5   12   19   26   44   59   72   80   84   88   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     S    70_A     S    70_A     14   23  109      4   17   23   36   45   63   72   80   84   88   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     V    71_A     V    71_A     14   23  109      7   17   23   36   45   63   72   80   84   88   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     V    72_A     V    72_A     14   23  109      7   17   23   36   45   63   72   80   84   88   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     I    73_A     I    73_A     14   23  109      8   17   23   36   45   63   72   80   84   88   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     N    74_A     N    74_A     14   23  109      8   18   23   36   45   63   72   80   84   88   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     F    75_A     F    75_A     14   23  109      7   18   23   34   45   63   72   80   84   88   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     C    76_A     C    76_A     14   23  109      7   18   23   34   45   57   72   80   84   88   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     P    77_A     P    77_A     14   23  109      7   15   23   34   45   63   72   80   84   88   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     T    78_A     T    78_A     14   23  109      4   17   22   30   41   54   65   77   84   88   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     V    79_A     V    79_A     14   23  109      6   17   21   34   45   57   69   80   84   88   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     C    80_A     C    80_A     11   23  109      6   18   23   36   45   63   72   80   84   88   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     G    81_A     G    81_A     10   23  109      3    9   17   30   42   63   72   80   84   88   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     A    82_A     A    82_A     10   23  109      3   11   22   30   42   60   71   80   84   88   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     A    83_A     A    83_A     10   23  109      3    8   22   30   42   63   72   80   84   88   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     I    84_A     I    84_A      8   23  109      5   18   23   30   43   63   72   80   84   88   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     G    85_A     G    85_A      8   23  109      5   11   23   30   43   63   72   80   84   88   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     A    86_A     A    86_A      8   23  109      6   15   23   36   45   63   72   80   84   88   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     L    87_A     L    87_A      8   23  109      5   11   19   36   45   63   72   80   84   88   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     S    88_A     S    88_A      8   23  109      5   11   19   36   45   63   72   80   84   88   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     F    89_A     F    89_A      8   13  109      5   11   19   29   45   63   72   80   84   88   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     Y    90_A     Y    90_A      8   13  109      4   11   17   30   45   63   72   80   84   88   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     A    91_A     A    91_A      8   13  109      4   11   17   26   41   63   72   80   84   88   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     P    92_A     P    92_A      8   13  109      4    6   13   22   37   53   66   75   82   88   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     P    93_A     P    93_A      7   13  109      4    5    8   18   33   48   60   72   80   88   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     G    94_A     G    94_A      5   11  109      3    4    7   16   30   40   56   68   79   88   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     A    95_A     A    95_A      4   10  109      3    3    4    6   23   41   56   72   79   88   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     H    96_A     H    96_A      4    8  109      3    4    5   18   23   36   51   68   79   88   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     N    97_A     N    97_A      4    6  109      3    4    5    9   13   18   31   46   59   77   86   94   99  101  104  105  105  106  107  107 
LCS_GDT     S    98_A     S    98_A      4    5  109      3    4    5    9   14   24   36   48   63   78   89   94   99  101  104  105  105  106  107  107 
LCS_GDT     N    99_A     N    99_A      4    5  109      3    4    5    6   10   12   25   35   44   54   70   84   91   99  101  104  105  106  107  107 
LCS_GDT     Q   100_A     Q   100_A      3    6  109      3    3    8   11   19   34   49   65   75   84   92   97   99  101  104  105  105  106  107  107 
LCS_GDT     P   101_A     P   101_A      3   12  109      3    4    5   11   28   41   56   72   80   88   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     G   102_A     G   102_A     11   12  109      4   11   19   36   45   63   72   80   84   88   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     L   103_A     L   103_A     11   12  109      5   11   19   36   45   63   72   80   84   88   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     E   104_A     E   104_A     11   12  109      7   11   23   36   45   63   72   80   84   88   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     I   105_A     I   105_A     11   12  109      7   11   23   36   45   63   72   80   84   88   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     P   106_A     P   106_A     11   12  109      6   12   23   36   45   63   72   80   84   88   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     L   107_A     L   107_A     11   12  109      6   15   23   36   45   63   72   80   84   88   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     Y   108_A     Y   108_A     11   12  109      6   15   23   36   45   63   72   80   84   88   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     G   109_A     G   109_A     11   12  109      5   18   23   36   45   63   72   80   84   88   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     Y   110_A     Y   110_A     11   12  109      7   15   23   30   43   63   72   80   84   88   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     G   111_A     G   111_A     11   12  109      6   18   23   36   45   63   72   80   84   88   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     G   112_A     G   112_A     11   12  109      6   18   23   36   45   63   72   80   84   88   93   97   99  101  104  105  105  106  107  107 
LCS_GDT     S   113_A     S   113_A      3   12  109      3    3    3   16   23   49   59   77   83   88   93   97   99  101  104  105  105  106  107  107 
LCS_AVERAGE  LCS_A:  39.66  (   8.33   15.49   95.17 )

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     18     23     36     45     63     72     80     84     88     93     97     99    101    104    105    105    106    107    107 
GDT PERCENT_AT   7.14  16.07  20.54  32.14  40.18  56.25  64.29  71.43  75.00  78.57  83.04  86.61  88.39  90.18  92.86  93.75  93.75  94.64  95.54  95.54
GDT RMS_LOCAL    0.34   0.65   0.93   1.53   1.73   2.27   2.43   2.64   2.75   2.95   3.21   3.38   3.47   3.70   3.85   3.92   3.92   4.16   4.22   4.22
GDT RMS_ALL_AT   7.98  10.86  10.20   7.85   7.93   7.07   7.13   7.22   7.22   7.32   6.76   6.78   6.83   6.59   6.58   6.60   6.60   6.45   6.46   6.46

# Checking swapping
#   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    29.354     0    0.246   0.272    29.636    0.000    0.000
LGA    M     3_A      M     3_A    30.963     0    0.083   0.109    37.217    0.000    0.000
LGA    G     4_A      G     4_A    29.283     0    0.691   0.691    29.283    0.000    0.000
LGA    L     5_A      L     5_A    22.508     0    0.132   1.073    24.892    0.000    0.000
LGA    L     6_A      L     6_A    19.825     0    0.336   1.029    24.500    0.000    0.000
LGA    P     7_A      P     7_A    14.665     0    0.340   0.312    19.315    0.000    0.000
LGA    L     8_A      L     8_A    10.578     0    0.008   0.938    12.012    1.905    0.952
LGA    K     9_A      K     9_A     6.637     0    0.055   1.015     8.107   15.238   16.032
LGA    V    10_A      V    10_A     3.293     0    0.032   0.222     4.350   52.262   49.456
LGA    T    11_A      T    11_A     1.427     0    0.032   1.204     3.205   71.429   69.864
LGA    H    12_A      H    12_A     3.661     0    0.660   1.610    10.151   57.500   30.095
LGA    T    13_A      T    13_A     3.022     0    0.105   0.328     4.558   55.476   50.476
LGA    T    14_A      T    14_A     2.306     0    0.030   1.029     5.048   62.857   57.075
LGA    L    15_A      L    15_A     1.586     0    0.041   0.123     2.434   68.810   75.179
LGA    C    16_A      C    16_A     3.031     0    0.013   0.179     4.969   61.071   52.143
LGA    W    17_A      W    17_A     2.076     0    0.696   0.568     4.003   55.952   71.190
LGA    G    18_A      G    18_A     2.970     0    0.071   0.071     2.970   57.143   57.143
LGA    S    19_A      S    19_A     3.028     0    0.022   0.611     3.519   59.405   56.349
LGA    T    20_A      T    20_A     2.157     0    0.023   0.078     3.473   59.167   63.946
LGA    K    21_A      K    21_A     3.233     0    0.071   0.938     4.618   51.786   43.704
LGA    L    22_A      L    22_A     3.635     0    0.056   0.125     4.840   40.476   44.464
LGA    R    23_A      R    23_A     5.501     0    0.057   0.665     8.852   25.119   16.104
LGA    T    24_A      T    24_A     4.029     0    0.119   0.754     4.283   41.905   41.633
LGA    D    25_A      D    25_A     3.649     0    0.037   0.986     7.345   50.238   34.405
LGA    V    26_A      V    26_A     1.876     0    0.037   1.198     3.316   66.786   67.347
LGA    R    27_A      R    27_A     2.255     0    0.053   0.457     6.941   66.786   43.766
LGA    K    28_A      K    28_A     2.053     0    0.033   1.210     3.225   64.762   63.280
LGA    S    29_A      S    29_A     2.246     0    0.018   0.212     2.542   64.762   63.492
LGA    M    30_A      M    30_A     2.313     0    0.020   1.147     6.607   66.786   51.548
LGA    Q    31_A      Q    31_A     2.070     0    0.051   1.044     3.892   64.881   56.667
LGA    V    32_A      V    32_A     2.098     0    0.019   1.188     4.471   73.095   65.578
LGA    K    33_A      K    33_A     2.818     0    0.038   1.275     6.880   48.690   35.450
LGA    N    34_A      N    34_A     4.234     0    0.079   0.437     8.414   56.429   36.905
LGA    T    35_A      T    35_A     4.282     0    0.517   0.429     7.232   41.905   29.252
LGA    A    36_A      A    36_A     2.961     0    0.018   0.033     3.614   57.500   56.000
LGA    D    37_A      D    37_A     1.694     0    0.076   0.908     6.377   70.833   52.857
LGA    K    38_A      K    38_A     2.869     0    0.016   0.595     7.781   62.976   42.698
LGA    R    39_A      R    39_A     3.092     0    0.154   1.364     6.756   51.786   32.424
LGA    L    40_A      L    40_A     3.559     0    0.068   0.913     6.785   48.333   35.833
LGA    V    41_A      V    41_A     3.159     0    0.067   0.079     3.282   51.786   52.041
LGA    I    42_A      I    42_A     3.027     0    0.030   1.202     7.056   51.786   44.762
LGA    R    43_A      R    43_A     2.957     0    0.072   1.225     6.011   57.143   56.797
LGA    L    44_A      L    44_A     2.945     0    0.042   0.700     5.145   55.357   48.095
LGA    G    45_A      G    45_A     3.226     0    0.060   0.060     3.226   53.571   53.571
LGA    I    46_A      I    46_A     3.195     0    0.066   1.240     5.022   46.667   42.440
LGA    Q    47_A      Q    47_A     4.239     0    0.065   1.312     9.411   37.262   26.508
LGA    G    48_A      G    48_A     6.080     0    0.232   0.232     6.395   20.476   20.476
LGA    P    49_A      P    49_A     8.501     0    0.015   0.040    10.978    4.881    2.857
LGA    G    50_A      G    50_A     5.938     0    0.284   0.284     6.819   25.833   25.833
LGA    F    51_A      F    51_A     2.594     0    0.010   1.411     7.317   72.738   41.948
LGA    Q    52_A      Q    52_A     2.106     0    0.179   1.034    10.133   82.024   44.339
LGA    L    53_A      L    53_A     2.475     0    0.326   0.611     3.803   59.405   51.369
LGA    V    54_A      V    54_A     2.227     0    0.097   1.043     4.049   68.810   57.959
LGA    G    55_A      G    55_A     2.001     0    0.663   0.663     2.001   70.833   70.833
LGA    T    56_A      T    56_A     4.120     0    0.338   1.042     7.448   29.643   25.170
LGA    D    57_A      D    57_A     8.075     0    0.592   0.736    10.843   10.476    5.417
LGA    S    58_A      S    58_A     6.965     0    0.080   0.721     7.294   10.833   12.460
LGA    S    59_A      S    59_A     7.349     0    0.315   0.482     8.419   13.690   10.714
LGA    T    60_A      T    60_A     3.188     0    0.633   1.285     5.917   36.429   53.333
LGA    I    61_A      I    61_A     4.876     0    0.156   0.166     7.342   38.810   27.619
LGA    T    62_A      T    62_A     4.345     0    0.200   0.210     4.646   34.286   34.694
LGA    L    63_A      L    63_A     3.166     0    0.212   0.898     4.527   53.571   46.250
LGA    Q    64_A      Q    64_A     4.490     0    0.050   1.179     7.001   43.571   32.963
LGA    A    65_A      A    65_A     5.931     0    0.633   0.587     7.496   24.048   21.238
LGA    M    66_A      M    66_A     2.439     0    0.163   1.138     6.606   59.048   48.333
LGA    E    67_A      E    67_A     2.922     0    0.189   0.989     3.527   63.214   57.566
LGA    C    68_A      C    68_A     3.220     0    0.015   0.793     6.538   42.024   36.429
LGA    R    69_A      R    69_A     3.362     0    0.067   1.601     8.205   59.286   36.104
LGA    S    70_A      S    70_A     2.498     0    0.026   0.140     3.133   59.167   58.492
LGA    V    71_A      V    71_A     2.183     0    0.082   1.045     4.185   66.786   65.646
LGA    V    72_A      V    72_A     1.864     0    0.047   0.105     2.288   68.810   71.769
LGA    I    73_A      I    73_A     2.209     0    0.033   0.446     2.460   64.762   64.762
LGA    N    74_A      N    74_A     2.263     0    0.074   0.905     3.162   59.167   62.976
LGA    F    75_A      F    75_A     2.428     0    0.052   0.858     2.524   62.857   69.394
LGA    C    76_A      C    76_A     3.086     0    0.126   0.811     4.037   48.571   54.683
LGA    P    77_A      P    77_A     2.610     0    0.114   0.125     3.084   57.262   65.170
LGA    T    78_A      T    78_A     4.353     0    0.095   0.129     5.484   35.952   31.769
LGA    V    79_A      V    79_A     3.640     0    0.012   1.179     6.777   56.071   44.626
LGA    C    80_A      C    80_A     1.129     0    0.132   0.840     2.314   81.786   76.111
LGA    G    81_A      G    81_A     3.049     0    0.055   0.055     3.049   63.214   63.214
LGA    A    82_A      A    82_A     3.644     0    0.267   0.310     4.319   46.667   44.762
LGA    A    83_A      A    83_A     3.030     0    0.022   0.028     3.657   51.786   50.095
LGA    I    84_A      I    84_A     2.776     0    0.063   1.082     3.951   59.048   52.917
LGA    G    85_A      G    85_A     2.464     0    0.008   0.008     2.697   66.905   66.905
LGA    A    86_A      A    86_A     1.117     0    0.005   0.009     1.696   79.286   81.524
LGA    L    87_A      L    87_A     1.509     0    0.097   0.200     2.575   75.000   69.940
LGA    S    88_A      S    88_A     1.542     0    0.051   0.066     1.829   75.000   74.286
LGA    F    89_A      F    89_A     2.119     0    0.122   0.578     4.990   66.786   52.900
LGA    Y    90_A      Y    90_A     1.947     0    0.024   1.257    11.022   63.095   35.635
LGA    A    91_A      A    91_A     3.217     0    0.018   0.051     3.697   48.452   48.762
LGA    P    92_A      P    92_A     5.497     0    0.046   0.071     6.605   27.619   23.878
LGA    P    93_A      P    93_A     6.808     0    0.606   0.578     9.163   13.333    9.864
LGA    G    94_A      G    94_A     8.177     0    0.676   0.676     8.177   10.833   10.833
LGA    A    95_A      A    95_A     7.283     0    0.522   0.547     9.910    6.190    5.524
LGA    H    96_A      H    96_A     7.882     0    0.008   0.143    13.099    9.643    5.048
LGA    N    97_A      N    97_A    10.921     0    0.427   1.196    12.306    0.000    0.060
LGA    S    98_A      S    98_A    11.117     0    0.661   0.724    13.156    0.000    0.000
LGA    N    99_A      N    99_A    14.518     0    0.543   0.861    20.144    0.000    0.000
LGA    Q   100_A      Q   100_A     8.866     0    0.369   1.329    13.010    4.286    2.434
LGA    P   101_A      P   101_A     6.187     0    0.208   0.254     8.515   33.571   21.293
LGA    G   102_A      G   102_A     2.231     0    0.369   0.369     4.609   54.524   54.524
LGA    L   103_A      L   103_A     1.921     0    0.028   1.329     6.032   77.143   62.321
LGA    E   104_A      E   104_A     1.149     0    0.048   0.148     1.480   81.429   82.434
LGA    I   105_A      I   105_A     0.534     0    0.068   0.602     2.283   92.857   88.452
LGA    P   106_A      P   106_A     0.623     0    0.107   0.416     2.194   97.619   89.592
LGA    L   107_A      L   107_A     0.397     0    0.199   1.293     3.293   95.357   84.524
LGA    Y   108_A      Y   108_A     0.674     0    0.022   1.394     9.307   90.476   55.913
LGA    G   109_A      G   109_A     1.021     0    0.202   0.202     2.697   75.476   75.476
LGA    Y   110_A      Y   110_A     1.757     0    0.208   1.153    10.451   81.548   41.310
LGA    G   111_A      G   111_A     0.899     0    0.140   0.140     1.914   86.190   86.190
LGA    G   112_A      G   112_A     1.926     0    0.227   0.227     3.466   67.262   67.262
LGA    S   113_A      S   113_A     4.943     0    0.615   0.693     8.514   39.048   27.698

# 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):     6.138          6.054                  6.559           48.861   43.325

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  113  112    4.0     80    2.64    53.348    47.082     2.918

LGA_LOCAL      RMSD:   2.642  Number of atoms:   80  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   7.220  Number of assigned atoms:  112 
Std_ASGN_ATOMS RMSD:   6.138  Standard rmsd on all 112 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.196333 * X  +   0.584130 * Y  +   0.787557 * Z  +  -1.973649
  Y_new =  -0.945415 * X  +  -0.325815 * Y  +   0.005970 * Z  + -12.396405
  Z_new =   0.260085 * X  +  -0.743396 * Y  +   0.616213 * Z  + -38.737625 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.775555 -0.263110 -0.878670   [DEG: -101.7318  -15.0751  -50.3441 ]
ZXZ:  1.578377  0.906871  2.805042   [DEG:   90.4343   51.9599  160.7171 ]
 
# END of job
