
#######################################################
#                                                     #
#                        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       4.87     6.17
  LCS_AVERAGE:     94.98

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    24      10_A - 33_A        1.94     7.75
  LCS_AVERAGE:     15.37

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    14      66_A - 79_A        0.89     8.37
  LCS_AVERAGE:      8.28

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      4    5    7      0    3    4    4    5    6    6    6    6    6    7    7    7    7   16   17   17   18   18   19 
LCS_GDT     M     3_A     M     3_A      4    5    9      2    3    4    4    5    6    6    6    6   10   10   13   18   20   20   26   28   29   29   37 
LCS_GDT     G     4_A     G     4_A      4    5   17      1    3    4    4    5    6    6    7    8   10   15   15   18   21   24   26   28   34   34   37 
LCS_GDT     L     5_A     L     5_A      4    5  109      3    3    4    4    5    7    8   16   18   21   21   26   28   35   37   40   43   54   80   85 
LCS_GDT     L     6_A     L     6_A      3    8  109      3    3    4    6    6    7    8   10   13   21   21   21   33   42   50   61   69   80   93  100 
LCS_GDT     P     7_A     P     7_A      7    8  109      4    6    7    7    7    8   10   12   19   28   39   54   64   76   84   95  103  105  107  107 
LCS_GDT     L     8_A     L     8_A      7    8  109      4    6    7    7    7   10   21   30   43   53   66   90   98  102  104  105  105  106  107  107 
LCS_GDT     K     9_A     K     9_A      7    8  109      4    6    7   10   19   35   50   68   78   89   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     V    10_A     V    10_A      7   24  109      4    6   13   25   41   59   71   80   84   89   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     T    11_A     T    11_A      7   24  109      4   12   21   37   46   61   71   80   84   89   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     H    12_A     H    12_A     11   24  109      7   18   23   31   40   55   71   80   84   89   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     T    13_A     T    13_A     11   24  109      7   13   25   31   45   61   71   80   84   89   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     T    14_A     T    14_A     11   24  109      7   12   23   37   46   61   71   80   84   89   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     L    15_A     L    15_A     11   24  109      7   12   23   37   46   61   71   80   84   89   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     C    16_A     C    16_A     11   24  109      7   10   17   31   45   61   71   80   84   89   94   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   61   71   80   84   89   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     G    18_A     G    18_A     12   24  109      6   13   23   37   46   61   71   80   84   89   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     S    19_A     S    19_A     12   24  109      6   13   23   37   46   60   71   80   84   89   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     T    20_A     T    20_A     12   24  109      6   18   25   37   46   61   71   80   84   89   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     K    21_A     K    21_A     12   24  109      7   18   25   37   46   57   71   80   84   89   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     L    22_A     L    22_A     12   24  109      7   18   25   37   46   57   71   80   84   89   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     R    23_A     R    23_A     12   24  109      4    6   19   28   36   43   58   65   78   86   89   96   99  102  104  105  105  106  107  107 
LCS_GDT     T    24_A     T    24_A     12   24  109      6   18   25   31   45   56   69   78   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     D    25_A     D    25_A     12   24  109      6   18   25   32   45   56   69   80   84   89   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     V    26_A     V    26_A     12   24  109      7   18   25   37   46   61   71   80   84   89   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     R    27_A     R    27_A     12   24  109      7   18   25   37   46   61   71   80   84   89   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     K    28_A     K    28_A     12   24  109      6   18   25   37   46   61   71   80   84   89   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     S    29_A     S    29_A     12   24  109      6   18   25   37   46   61   71   80   84   89   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     M    30_A     M    30_A     12   24  109      6   17   25   37   46   61   71   80   84   89   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     Q    31_A     Q    31_A     12   24  109      6   15   25   37   46   61   71   80   84   89   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     V    32_A     V    32_A      8   24  109      5   10   21   30   46   61   71   80   84   89   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     K    33_A     K    33_A      8   24  109      5    8   21   30   43   61   71   80   84   89   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     N    34_A     N    34_A      7   22  109      5   10   13   25   40   57   69   80   84   89   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     T    35_A     T    35_A      9   22  109      3    8   16   26   41   55   70   80   84   89   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     A    36_A     A    36_A     13   22  109      4   10   21   29   43   61   71   80   84   89   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     D    37_A     D    37_A     13   21  109      5   10   16   29   44   61   71   80   84   89   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     K    38_A     K    38_A     13   21  109      4   11   16   28   44   61   71   80   84   89   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     R    39_A     R    39_A     13   21  109      5   11   18   28   43   61   71   80   84   89   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     L    40_A     L    40_A     13   21  109      6    6   18   28   35   53   71   80   84   89   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     V    41_A     V    41_A     13   21  109      6   11   18   28   43   61   71   80   84   89   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     I    42_A     I    42_A     13   21  109      6   11   18   28   43   61   71   80   84   89   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     R    43_A     R    43_A     13   21  109      6   11   18   28   43   61   71   80   84   89   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     L    44_A     L    44_A     13   21  109      6   10   18   28   43   61   71   80   84   89   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     G    45_A     G    45_A     13   21  109      3   11   15   28   42   60   71   80   84   89   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     I    46_A     I    46_A     13   21  109      3   11   15   28   42   60   71   80   84   89   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     Q    47_A     Q    47_A     13   21  109      5   11   15   25   40   56   69   80   84   89   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     G    48_A     G    48_A     13   21  109      3   11   15   19   31   47   60   72   82   88   92   97   99  102  104  105  105  106  107  107 
LCS_GDT     P    49_A     P    49_A     13   21  109      3    4    6   17   23   33   47   58   69   75   86   93   98  101  103  105  105  106  107  107 
LCS_GDT     G    50_A     G    50_A     10   21  109      5   11   15   21   33   47   60   71   81   88   92   97   99  102  104  105  105  106  107  107 
LCS_GDT     F    51_A     F    51_A      6   19  109      3    3   13   29   45   61   71   80   84   89   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     Q    52_A     Q    52_A      6   15  109      3    4   14   30   46   61   71   80   84   89   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     L    53_A     L    53_A      4   14  109      3    4   14   26   45   61   71   80   84   89   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     V    54_A     V    54_A      4    8  109      3    9   17   37   46   61   71   80   84   89   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     G    55_A     G    55_A      4    8  109      3    6   14   30   46   61   71   80   84   89   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     T    56_A     T    56_A      4    8  109      0    6   13   25   35   58   69   80   84   89   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     D    57_A     D    57_A      4    8  109      3    3    4    6    8   13   37   46   64   77   86   93   99  102  104  105  105  106  107  107 
LCS_GDT     S    58_A     S    58_A      4    8  109      3    8   12   18   26   34   54   68   76   87   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     S    59_A     S    59_A      4    6  109      3    5    8   17   20   28   37   56   75   84   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     T    60_A     T    60_A      4    6  109      6   11   18   28   43   61   71   80   84   89   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     I    61_A     I    61_A      4    8  109      3    3    5   17   26   39   54   69   82   88   94   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   54   71   84   89   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     L    63_A     L    63_A      5   18  109      3    5    7   18   37   61   71   80   84   89   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     Q    64_A     Q    64_A      5   18  109      4    9   19   21   26   54   69   77   84   88   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     A    65_A     A    65_A      5   19  109      3    5    5   10   23   26   37   57   80   88   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     M    66_A     M    66_A     14   22  109      4   13   22   37   46   61   71   80   84   89   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     E    67_A     E    67_A     14   22  109      4   13   22   37   46   61   71   80   84   89   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     C    68_A     C    68_A     14   22  109      4   13   22   37   46   61   71   80   84   89   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     R    69_A     R    69_A     14   22  109      4   10   19   27   46   56   71   80   84   89   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     S    70_A     S    70_A     14   22  109      4   13   22   37   46   61   71   80   84   89   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     V    71_A     V    71_A     14   22  109      5   13   22   37   46   61   71   80   84   89   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     V    72_A     V    72_A     14   22  109      6   14   25   37   46   61   71   80   84   89   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     I    73_A     I    73_A     14   22  109      6   15   25   37   46   61   71   80   84   89   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     N    74_A     N    74_A     14   22  109      6   18   25   37   46   61   71   80   84   89   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     F    75_A     F    75_A     14   22  109      6   18   25   36   46   61   71   80   84   89   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     C    76_A     C    76_A     14   22  109      6   18   25   33   46   57   71   80   84   89   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     P    77_A     P    77_A     14   22  109      7   16   22   30   46   61   71   80   84   89   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     T    78_A     T    78_A     14   22  109      4   16   21   28   37   56   65   77   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     V    79_A     V    79_A     14   22  109      6   13   21   33   46   57   71   80   84   89   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     C    80_A     C    80_A     11   22  109      7   18   25   37   46   61   71   80   84   89   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     G    81_A     G    81_A     11   22  109      4    8   16   27   43   60   71   80   84   89   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     A    82_A     A    82_A     11   22  109      3   11   21   28   42   59   70   80   84   89   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     A    83_A     A    83_A      6   22  109      3    8   21   29   43   60   71   80   84   89   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     I    84_A     I    84_A      8   22  109      5   18   22   30   45   61   71   80   84   89   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     G    85_A     G    85_A      8   22  109      5   11   25   30   45   61   71   80   84   89   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     A    86_A     A    86_A      8   22  109      5   15   25   37   46   61   71   80   84   89   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     L    87_A     L    87_A      8   22  109      5   11   18   37   46   61   71   80   84   89   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     S    88_A     S    88_A      8   13  109      5   11   18   37   46   61   71   80   84   89   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     F    89_A     F    89_A      8   13  109      5   11   18   28   46   61   71   80   84   89   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     Y    90_A     Y    90_A      8   13  109      4   11   18   29   46   61   71   80   84   89   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     A    91_A     A    91_A      8   13  109      4   11   16   28   43   61   71   80   84   89   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     P    92_A     P    92_A      8   13  109      4    6   14   24   38   54   66   76   83   89   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     P    93_A     P    93_A      7   13  109      3    5    8   17   32   46   60   72   80   89   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     G    94_A     G    94_A      5   11  109      3    4    7   14   29   41   57   68   80   89   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     A    95_A     A    95_A      4   10  109      3    3    4    6   20   40   58   69   79   89   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     H    96_A     H    96_A      4    8  109      3    4    5    9   23   40   49   65   80   89   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     N    97_A     N    97_A      4    6  109      3    4    5    9   12   16   30   49   61   80   87   94   99  102  104  105  105  106  107  107 
LCS_GDT     S    98_A     S    98_A      4    5  109      3    4    5    8   13   25   38   51   65   81   88   94   99  102  104  105  105  106  107  107 
LCS_GDT     N    99_A     N    99_A      4    5  109      3    4    5    6   10   12   16   34   47   61   69   77   89   98  101  104  105  106  107  107 
LCS_GDT     Q   100_A     Q   100_A      4    6  109      3    3    8   11   18   33   47   61   72   84   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     P   101_A     P   101_A      4   12  109      3    3    5   11   26   40   54   67   80   89   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     G   102_A     G   102_A     10   12  109      5   12   17   37   46   61   71   80   84   89   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     L   103_A     L   103_A     10   12  109      4   11   17   36   46   61   71   80   84   89   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     E   104_A     E   104_A     10   12  109      7   12   22   37   46   61   71   80   84   89   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     I   105_A     I   105_A     10   12  109      7   12   22   37   46   61   71   80   84   89   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     P   106_A     P   106_A     10   12  109      6   12   23   37   46   61   71   80   84   89   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     L   107_A     L   107_A     10   12  109      5   15   25   37   46   61   71   80   84   89   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     Y   108_A     Y   108_A     10   12  109      5   15   25   37   46   61   71   80   84   89   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     G   109_A     G   109_A     10   12  109      5   18   25   37   46   61   71   80   84   89   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     Y   110_A     Y   110_A     10   12  109      7   16   22   29   45   61   71   80   84   89   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     G   111_A     G   111_A     10   12  109      6   18   25   37   46   61   71   80   84   89   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     G   112_A     G   112_A      9   12  109      3   18   25   37   46   61   71   80   84   89   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     S   113_A     S   113_A      3   12  109      3    3    5   14   20   37   49   75   83   89   94   97   99  102  104  105  105  106  107  107 
LCS_AVERAGE  LCS_A:  39.54  (   8.28   15.37   94.98 )

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      7     18     25     37     46     61     71     80     84     89     94     97     99    102    104    105    105    106    107    107 
GDT PERCENT_AT   6.25  16.07  22.32  33.04  41.07  54.46  63.39  71.43  75.00  79.46  83.93  86.61  88.39  91.07  92.86  93.75  93.75  94.64  95.54  95.54
GDT RMS_LOCAL    0.26   0.65   1.03   1.54   1.75   2.22   2.41   2.64   2.75   3.09   3.28   3.37   3.46   3.77   3.85   3.92   3.92   4.07   4.21   4.21
GDT RMS_ALL_AT  11.04  10.42   8.67   7.57   7.57   6.78   6.85   6.86   6.94   6.49   6.51   6.55   6.59   6.35   6.38   6.39   6.39   6.33   6.29   6.29

# Checking swapping
#   possible swapping detected:  D    25_A      D    25_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    28.747     0    0.318   0.473    31.096    0.000    0.000
LGA    M     3_A      M     3_A    25.748     0    0.087   0.291    28.775    0.000    0.000
LGA    G     4_A      G     4_A    25.643     0    0.057   0.057    25.643    0.000    0.000
LGA    L     5_A      L     5_A    23.341     0    0.625   1.120    24.995    0.000    0.000
LGA    L     6_A      L     6_A    19.500     0    0.321   0.975    24.265    0.000    0.000
LGA    P     7_A      P     7_A    14.306     0    0.371   0.359    19.038    0.000    0.000
LGA    L     8_A      L     8_A    10.351     0    0.062   0.922    11.833    2.500    1.250
LGA    K     9_A      K     9_A     6.463     0    0.050   1.035     7.919   17.976   18.042
LGA    V    10_A      V    10_A     3.155     0    0.023   0.256     4.191   54.167   50.544
LGA    T    11_A      T    11_A     1.356     0    0.008   1.192     3.135   71.429   69.864
LGA    H    12_A      H    12_A     3.551     0    0.651   1.587    10.125   59.524   30.810
LGA    T    13_A      T    13_A     2.873     0    0.166   0.409     4.473   57.262   52.313
LGA    T    14_A      T    14_A     2.154     0    0.032   0.050     3.137   66.786   61.633
LGA    L    15_A      L    15_A     1.478     0    0.034   0.107     2.494   70.952   78.452
LGA    C    16_A      C    16_A     3.079     0    0.007   0.666     4.452   61.071   53.095
LGA    W    17_A      W    17_A     2.324     0    0.072   0.518     3.840   55.595   72.313
LGA    G    18_A      G    18_A     2.577     0    0.035   0.035     2.609   62.976   62.976
LGA    S    19_A      S    19_A     3.154     0    0.015   0.596     3.649   57.262   54.921
LGA    T    20_A      T    20_A     2.413     0    0.020   0.110     3.739   53.810   59.796
LGA    K    21_A      K    21_A     3.501     0    0.074   0.936     4.993   50.119   40.370
LGA    L    22_A      L    22_A     3.765     0    0.033   0.126     5.053   36.071   41.429
LGA    R    23_A      R    23_A     5.876     0    0.043   1.290     7.673   22.857   19.394
LGA    T    24_A      T    24_A     4.367     0    0.108   0.700     4.574   40.476   39.048
LGA    D    25_A      D    25_A     3.787     0    0.009   1.158     8.004   45.119   31.607
LGA    V    26_A      V    26_A     2.016     0    0.044   1.182     3.396   62.857   65.102
LGA    R    27_A      R    27_A     2.267     0    0.087   0.481     7.502   66.786   41.905
LGA    K    28_A      K    28_A     1.915     0    0.030   1.279     3.199   66.786   65.079
LGA    S    29_A      S    29_A     2.116     0    0.048   0.175     2.311   64.762   64.762
LGA    M    30_A      M    30_A     2.175     0    0.017   1.059     7.657   66.786   51.310
LGA    Q    31_A      Q    31_A     2.083     0    0.043   0.992     3.889   64.881   55.132
LGA    V    32_A      V    32_A     1.890     0    0.024   1.059     3.410   77.143   70.884
LGA    K    33_A      K    33_A     2.712     0    0.006   1.309     7.038   50.357   35.820
LGA    N    34_A      N    34_A     4.070     0    0.022   0.402     8.275   56.429   38.155
LGA    T    35_A      T    35_A     3.971     0    0.512   0.446     6.935   46.905   33.673
LGA    A    36_A      A    36_A     2.700     0    0.041   0.057     3.322   61.190   60.381
LGA    D    37_A      D    37_A     1.490     0    0.171   0.986     5.926   75.000   58.571
LGA    K    38_A      K    38_A     2.857     0    0.023   0.578     7.613   62.976   43.175
LGA    R    39_A      R    39_A     3.097     0    0.196   0.961     9.843   51.786   27.662
LGA    L    40_A      L    40_A     3.658     0    0.071   0.913     6.681   45.000   34.762
LGA    V    41_A      V    41_A     3.143     0    0.040   0.063     3.293   51.786   53.061
LGA    I    42_A      I    42_A     2.970     0    0.015   1.289     7.357   53.571   44.702
LGA    R    43_A      R    43_A     2.744     0    0.048   0.926     3.205   57.143   63.810
LGA    L    44_A      L    44_A     2.692     0    0.031   0.713     5.142   57.143   48.988
LGA    G    45_A      G    45_A     3.051     0    0.070   0.070     3.051   55.357   55.357
LGA    I    46_A      I    46_A     3.079     0    0.047   1.222     4.915   46.667   43.750
LGA    Q    47_A      Q    47_A     4.075     0    0.067   1.328     9.388   37.262   26.508
LGA    G    48_A      G    48_A     5.810     0    0.234   0.234     6.160   22.738   22.738
LGA    P    49_A      P    49_A     8.413     0    0.022   0.047    10.944    6.548    3.810
LGA    G    50_A      G    50_A     5.906     0    0.280   0.280     6.703   27.262   27.262
LGA    F    51_A      F    51_A     2.480     0    0.016   1.406     7.192   74.643   42.944
LGA    Q    52_A      Q    52_A     2.050     0    0.183   1.030     9.953   82.024   44.921
LGA    L    53_A      L    53_A     2.473     0    0.315   0.579     3.713   59.405   53.036
LGA    V    54_A      V    54_A     2.001     0    0.071   1.031     3.828   68.810   58.844
LGA    G    55_A      G    55_A     1.935     0    0.655   0.655     1.935   72.857   72.857
LGA    T    56_A      T    56_A     4.159     0    0.493   0.919     7.528   27.262   23.810
LGA    D    57_A      D    57_A     8.007     0    0.586   1.210    10.459   10.476    5.476
LGA    S    58_A      S    58_A     6.678     0    0.137   0.700     7.199   11.667   12.222
LGA    S    59_A      S    59_A     7.212     0    0.262   0.435     8.176   14.524   11.667
LGA    T    60_A      T    60_A     3.016     0    0.638   1.275     5.627   37.976   52.993
LGA    I    61_A      I    61_A     4.692     0    0.119   0.174     7.175   38.810   28.155
LGA    T    62_A      T    62_A     4.442     0    0.196   0.211     4.752   34.286   34.694
LGA    L    63_A      L    63_A     3.375     0    0.233   0.894     4.636   50.119   43.690
LGA    Q    64_A      Q    64_A     4.507     0    0.058   1.225     6.914   42.143   32.011
LGA    A    65_A      A    65_A     5.791     0    0.630   0.584     7.324   24.048   21.238
LGA    M    66_A      M    66_A     2.361     0    0.203   1.205     6.648   59.048   48.333
LGA    E    67_A      E    67_A     2.991     0    0.182   0.982     3.625   63.214   56.825
LGA    C    68_A      C    68_A     3.294     0    0.000   0.753     7.336   42.024   35.873
LGA    R    69_A      R    69_A     3.386     0    0.084   1.546     8.057   59.286   37.792
LGA    S    70_A      S    70_A     2.487     0    0.050   0.155     3.097   59.167   58.492
LGA    V    71_A      V    71_A     2.196     0    0.043   1.050     4.172   68.810   66.803
LGA    V    72_A      V    72_A     1.865     0    0.041   0.074     2.294   68.810   72.993
LGA    I    73_A      I    73_A     2.300     0    0.023   0.165     2.541   64.762   63.810
LGA    N    74_A      N    74_A     2.455     0    0.057   0.938     3.159   59.167   62.024
LGA    F    75_A      F    75_A     2.564     0    0.049   0.858     2.692   57.143   67.316
LGA    C    76_A      C    76_A     3.176     0    0.152   0.801     4.127   48.571   53.175
LGA    P    77_A      P    77_A     2.706     0    0.070   0.104     3.255   53.571   63.061
LGA    T    78_A      T    78_A     4.514     0    0.148   0.150     5.716   33.095   29.456
LGA    V    79_A      V    79_A     3.607     0    0.015   1.157     6.662   56.071   44.626
LGA    C    80_A      C    80_A     0.861     0    0.128   0.837     3.632   83.810   75.238
LGA    G    81_A      G    81_A     3.522     0    0.056   0.056     3.522   55.714   55.714
LGA    A    82_A      A    82_A     3.883     0    0.313   0.356     4.531   45.119   42.381
LGA    A    83_A      A    83_A     3.113     0    0.019   0.023     3.645   51.786   50.095
LGA    I    84_A      I    84_A     2.676     0    0.073   1.102     3.793   60.952   54.702
LGA    G    85_A      G    85_A     2.463     0    0.040   0.040     2.567   66.905   66.905
LGA    A    86_A      A    86_A     1.071     0    0.000   0.004     1.609   81.548   83.333
LGA    L    87_A      L    87_A     1.413     0    0.068   0.184     2.620   77.143   71.012
LGA    S    88_A      S    88_A     1.634     0    0.022   0.095     1.782   75.000   74.286
LGA    F    89_A      F    89_A     2.257     0    0.130   0.601     5.126   62.857   50.346
LGA    Y    90_A      Y    90_A     1.966     0    0.004   1.265    10.941   64.881   36.905
LGA    A    91_A      A    91_A     3.149     0    0.020   0.024     3.501   50.119   50.095
LGA    P    92_A      P    92_A     5.129     0    0.035   0.057     6.124   30.238   27.279
LGA    P    93_A      P    93_A     6.476     0    0.597   0.556     8.670   16.190   12.109
LGA    G    94_A      G    94_A     7.791     0    0.657   0.657     7.791   14.167   14.167
LGA    A    95_A      A    95_A     7.048     0    0.559   0.582     9.707    6.190    5.524
LGA    H    96_A      H    96_A     7.757     0    0.017   0.695    12.850   10.595    5.381
LGA    N    97_A      N    97_A    11.023     0    0.325   1.145    12.749    0.000    0.060
LGA    S    98_A      S    98_A    10.933     0    0.633   0.763    12.929    0.000    0.000
LGA    N    99_A      N    99_A    14.339     0    0.523   0.920    19.828    0.000    0.000
LGA    Q   100_A      Q   100_A     8.771     0    0.345   1.277    10.685    4.286    2.646
LGA    P   101_A      P   101_A     6.145     0    0.214   0.270     8.508   33.571   21.701
LGA    G   102_A      G   102_A     2.378     0    0.403   0.403     4.522   54.524   54.524
LGA    L   103_A      L   103_A     2.198     0    0.066   1.364     6.400   70.833   57.262
LGA    E   104_A      E   104_A     1.304     0    0.002   0.233     2.102   79.286   79.630
LGA    I   105_A      I   105_A     0.648     0    0.062   0.613     2.245   90.476   87.262
LGA    P   106_A      P   106_A     0.851     0    0.129   0.370     2.061   90.476   85.510
LGA    L   107_A      L   107_A     0.298     0    0.213   1.293     3.377   95.357   84.524
LGA    Y   108_A      Y   108_A     0.503     0    0.046   1.382     9.511   90.476   55.119
LGA    G   109_A      G   109_A     0.677     0    0.208   0.208     2.637   79.881   79.881
LGA    Y   110_A      Y   110_A     1.746     0    0.217   1.104    10.135   79.286   41.429
LGA    G   111_A      G   111_A     0.840     0    0.110   0.110     1.760   86.190   86.190
LGA    G   112_A      G   112_A     2.035     0    0.113   0.113     4.248   57.976   57.976
LGA    S   113_A      S   113_A     5.119     0    0.087   0.596     8.692   42.619   30.079

# 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):     6.078          5.971                  6.520           48.851   43.505

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  113  112    4.0     80    2.64    53.571    47.244     2.923

LGA_LOCAL      RMSD:   2.637  Number of atoms:   80  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   6.865  Number of assigned atoms:  112 
Std_ASGN_ATOMS RMSD:   6.078  Standard rmsd on all 112 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.000709 * X  +  -0.054423 * Y  +   0.998518 * Z  +  -0.327459
  Y_new =  -0.544283 * X  +   0.837680 * Y  +   0.045270 * Z  + -10.850780
  Z_new =  -0.838902 * X  +  -0.543444 * Y  +  -0.030215 * Z  + -39.524681 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.572099  0.995262 -1.626339   [DEG:  -90.0746   57.0243  -93.1824 ]
ZXZ:  1.616103  1.601016 -2.145626   [DEG:   92.5959   91.7315 -122.9353 ]
 
# END of job
