
#######################################################
#                                                     #
#                        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       4.83     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     8.04
  LCS_AVERAGE:     15.31

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    14      66_A - 79_A        0.94     8.60
  LCS_AVERAGE:      8.44

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   20   26   28   29   31   34   40   44   54 
LCS_GDT     M     3_A     M     3_A      5    6   18      3    5    5    5    6    6    8   13   15   17   22   23   26   28   29   36   38   40   44   54 
LCS_GDT     G     4_A     G     4_A      5    6   18      3    5    5    5    6    9    9   12   13   14   19   23   26   33   35   36   38   46   47   54 
LCS_GDT     L     5_A     L     5_A      5    6  109      3    5    5    5    6    9    9   13   18   20   25   27   34   38   46   51   65   67   71   84 
LCS_GDT     L     6_A     L     6_A      5    7  109      3    5    5    5    6    9    9   13   15   20   25   27   29   48   51   58   66   83   93   99 
LCS_GDT     P     7_A     P     7_A      7    8  109      4    6    7    7    7    8   10   13   17   29   42   47   60   75   84   98  103  106  107  107 
LCS_GDT     L     8_A     L     8_A      7    8  109      4    6    7    7    7   13   21   30   43   55   68   87   98  102  104  105  105  106  107  107 
LCS_GDT     K     9_A     K     9_A      7    8  109      4    6    7   14   18   36   57   70   81   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     V    10_A     V    10_A      7   24  109      4    6   12   24   43   62   71   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     T    11_A     T    11_A      7   24  109      4   13   23   36   46   62   71   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     H    12_A     H    12_A     11   24  109      6   17   23   31   42   55   71   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     T    13_A     T    13_A     11   24  109      6   12   23   31   46   62   71   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     T    14_A     T    14_A     11   24  109      6   12   23   36   46   62   71   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     L    15_A     L    15_A     11   24  109      6   12   23   36   46   62   71   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     C    16_A     C    16_A     11   24  109      6   12   22   31   46   61   71   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     W    17_A     W    17_A     12   24  109      6   12   23   36   46   62   71   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     G    18_A     G    18_A     12   24  109      5   12   23   36   46   62   71   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     S    19_A     S    19_A     12   24  109      5   12   23   36   46   58   71   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     T    20_A     T    20_A     12   24  109      5   17   23   36   46   62   71   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     K    21_A     K    21_A     12   24  109      6   17   23   36   46   56   71   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     L    22_A     L    22_A     12   24  109      5   17   23   36   45   56   68   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     R    23_A     R    23_A     12   24  109      3   13   19   28   36   44   55   67   79   86   90   95   99  102  104  105  105  106  107  107 
LCS_GDT     T    24_A     T    24_A     12   24  109      6   17   23   30   44   56   68   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     D    25_A     D    25_A     12   24  109      6   17   23   30   44   56   69   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     V    26_A     V    26_A     12   24  109      8   17   23   36   46   62   71   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     R    27_A     R    27_A     12   24  109      8   17   23   36   46   62   71   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     K    28_A     K    28_A     12   24  109      8   17   23   36   46   62   71   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     S    29_A     S    29_A     12   24  109      8   17   23   36   46   62   71   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     M    30_A     M    30_A     12   24  109      8   17   23   36   46   62   71   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     Q    31_A     Q    31_A     12   24  109      8   15   23   36   46   62   71   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     V    32_A     V    32_A      8   24  109      5   10   17   31   46   62   71   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     K    33_A     K    33_A      8   24  109      5    8   16   31   44   62   71   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     N    34_A     N    34_A      7   21  109      5    9   13   26   41   59   69   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     T    35_A     T    35_A      9   21  109      3    8   16   23   39   56   69   79   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     A    36_A     A    36_A     13   21  109      5   10   17   31   44   62   71   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     D    37_A     D    37_A     13   21  109      5   10   16   31   44   62   71   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     K    38_A     K    38_A     13   21  109      6   11   17   28   44   62   71   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     R    39_A     R    39_A     13   21  109      6   11   17   28   44   62   71   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     L    40_A     L    40_A     13   21  109      6    7   17   26   36   53   71   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     V    41_A     V    41_A     13   21  109      6   11   17   28   44   62   71   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     I    42_A     I    42_A     13   21  109      6   11   17   28   44   62   71   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     R    43_A     R    43_A     13   21  109      6   11   17   31   44   62   71   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     L    44_A     L    44_A     13   21  109      6   10   17   31   44   62   71   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     G    45_A     G    45_A     13   21  109      3   11   16   31   42   62   71   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     I    46_A     I    46_A     13   21  109      3   11   16   31   43   62   71   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     Q    47_A     Q    47_A     13   21  109      6   11   16   26   39   58   69   80   84   88   94   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   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      4    4   14   18   25   35   48   59   69   77   85   93   98  101  103  105  105  106  107  107 
LCS_GDT     G    50_A     G    50_A      9   21  109      6   11   15   23   35   47   60   72   82   88   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     F    51_A     F    51_A      5   19  109      4    4   15   31   44   62   71   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     Q    52_A     Q    52_A      4   15  109      3    5   13   31   46   62   71   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     L    53_A     L    53_A      4   14  109      3    6   13   25   46   62   71   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     V    54_A     V    54_A      4    7  109      3   11   19   36   46   62   71   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     G    55_A     G    55_A      4    7  109      3    6   13   33   46   62   71   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     T    56_A     T    56_A      4    7  109      3    5   13   26   38   60   71   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     D    57_A     D    57_A      4    7  109      3    4    5    6    9   16   37   47   66   77   86   95   99  102  104  105  105  106  107  107 
LCS_GDT     S    58_A     S    58_A      4    7  109      3    5   11   19   24   36   52   67   75   85   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     S    59_A     S    59_A      4    6  109      3    7    9   14   21   30   35   49   66   81   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     T    60_A     T    60_A      4    6  109      6   11   17   31   44   62   71   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     I    61_A     I    61_A      4    8  109      3    3    5   18   27   38   54   69   83   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   16   27   38   57   73   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     L    63_A     L    63_A      5   18  109      3    5    6   18   41   61   71   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     Q    64_A     Q    64_A      5   18  109      5    8   19   22   26   53   69   78   84   88   92   97   99  102  104  105  105  106  107  107 
LCS_GDT     A    65_A     A    65_A      5   18  109      3    5    5    9   24   25   34   58   80   87   90   96   99  101  104  105  105  106  107  107 
LCS_GDT     M    66_A     M    66_A     14   22  109      4   15   23   36   46   62   71   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     E    67_A     E    67_A     14   22  109      5   15   23   36   46   62   71   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     C    68_A     C    68_A     14   22  109      5   13   23   36   46   60   71   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     R    69_A     R    69_A     14   22  109      5   10   19   26   43   58   71   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     S    70_A     S    70_A     14   22  109      4   15   23   36   46   62   71   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     V    71_A     V    71_A     14   22  109      6   15   23   36   46   62   71   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     V    72_A     V    72_A     14   22  109      7   15   23   36   46   62   71   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     I    73_A     I    73_A     14   22  109      8   15   23   36   46   62   71   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     N    74_A     N    74_A     14   22  109      8   17   23   36   46   62   71   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     F    75_A     F    75_A     14   22  109      7   17   23   36   46   62   71   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     C    76_A     C    76_A     14   22  109      7   17   23   33   45   56   71   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     P    77_A     P    77_A     14   22  109      6   16   23   30   45   62   71   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     T    78_A     T    78_A     14   22  109      4   13   20   27   35   53   62   78   83   87   92   97   99  102  104  105  105  106  107  107 
LCS_GDT     V    79_A     V    79_A     14   22  109      7   15   20   27   43   56   68   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     C    80_A     C    80_A     11   22  109      5   17   23   36   46   62   71   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     G    81_A     G    81_A      9   22  109      4    9   17   31   44   61   71   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     A    82_A     A    82_A      9   22  109      3    9   20   31   43   60   71   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     A    83_A     A    83_A      6   22  109      3    9   20   31   44   62   71   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     I    84_A     I    84_A      9   22  109      5   17   23   31   44   62   71   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     G    85_A     G    85_A      9   22  109      5   11   21   31   44   62   71   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     A    86_A     A    86_A      9   22  109      4   15   23   36   46   62   71   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     L    87_A     L    87_A      9   22  109      5   11   19   36   46   62   71   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     S    88_A     S    88_A      9   13  109      5   11   19   36   46   62   71   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     F    89_A     F    89_A      9   13  109      5   11   19   31   46   62   71   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     Y    90_A     Y    90_A      9   13  109      4   11   17   31   46   62   71   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     A    91_A     A    91_A      9   13  109      4   11   17   28   44   62   71   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     P    92_A     P    92_A      9   13  109      4    7   14   25   40   56   69   77   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     P    93_A     P    93_A      7   13  109      3    5    8   18   35   49   64   73   81   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     G    94_A     G    94_A      5   11  109      3    4    7   17   29   43   59   70   81   88   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   56   70   81   88   94   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   39   46   64   79   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     N    97_A     N    97_A      4    5  109      3    4    5    7   10   16   20   41   55   74   86   92   98  102  104  105  105  106  107  107 
LCS_GDT     S    98_A     S    98_A      4    5  109      3    4    5    8   15   24   34   48   64   78   87   94   98  102  104  105  105  106  107  107 
LCS_GDT     N    99_A     N    99_A      4    5  109      3    4    5    8   11   15   18   32   45   57   67   80   90   96  101  104  105  105  107  107 
LCS_GDT     Q   100_A     Q   100_A      4    5  109      3    4    7   11   19   33   47   64   76   84   94   96   99  102  104  105  105  106  107  107 
LCS_GDT     P   101_A     P   101_A      4   12  109      3    4    5   11   26   40   56   70   81   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     G   102_A     G   102_A     11   12  109      5   12   20   36   46   62   71   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     L   103_A     L   103_A     11   12  109      4   12   19   36   46   62   71   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     E   104_A     E   104_A     11   12  109      6   12   23   36   46   62   71   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     I   105_A     I   105_A     11   12  109      6   12   23   36   46   62   71   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     P   106_A     P   106_A     11   12  109      5   12   23   36   46   62   71   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     L   107_A     L   107_A     11   12  109      5   15   23   36   46   62   71   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     Y   108_A     Y   108_A     11   12  109      5   15   23   36   46   62   71   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     G   109_A     G   109_A     11   12  109      5   17   23   36   46   62   71   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     Y   110_A     Y   110_A     11   12  109      5   16   23   31   45   62   71   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     G   111_A     G   111_A     11   12  109      5   17   23   36   46   62   71   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     G   112_A     G   112_A     11   12  109      5   17   23   36   46   62   71   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     S   113_A     S   113_A      5   12  109      3    3    7   21   34   50   63   78   83   88   94   97   99  102  104  105  105  106  107  107 
LCS_AVERAGE  LCS_A:  39.62  (   8.44   15.31   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     36     46     62     71     80     84     88     94     97     99    102    104    105    105    106    107    107 
GDT PERCENT_AT   7.14  15.18  20.54  32.14  41.07  55.36  63.39  71.43  75.00  78.57  83.93  86.61  88.39  91.07  92.86  93.75  93.75  94.64  95.54  95.54
GDT RMS_LOCAL    0.33   0.65   0.93   1.48   1.75   2.22   2.38   2.62   2.74   2.90   3.30   3.37   3.45   3.77   3.85   3.92   3.92   4.08   4.22   4.22
GDT RMS_ALL_AT   8.15  10.83  10.24   8.03   7.63   7.09   7.16   7.28   7.19   7.22   6.74   6.87   6.91   6.63   6.66   6.68   6.68   6.62   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    31.333     0    0.343   0.382    31.888    0.000    0.000
LGA    M     3_A      M     3_A    31.639     0    0.045   0.154    35.883    0.000    0.000
LGA    G     4_A      G     4_A    28.503     0    0.290   0.290    29.661    0.000    0.000
LGA    L     5_A      L     5_A    22.284     0    0.119   0.676    24.532    0.000    0.000
LGA    L     6_A      L     6_A    19.686     0    0.351   1.017    24.473    0.000    0.000
LGA    P     7_A      P     7_A    14.455     0    0.332   0.307    19.107    0.000    0.000
LGA    L     8_A      L     8_A    10.411     0    0.011   0.898    12.010    2.500    1.250
LGA    K     9_A      K     9_A     6.401     0    0.082   1.041     7.888   17.976   18.042
LGA    V    10_A      V    10_A     3.126     0    0.027   0.226     4.213   54.167   50.544
LGA    T    11_A      T    11_A     1.383     0    0.031   1.263     3.236   71.429   69.864
LGA    H    12_A      H    12_A     3.619     0    0.654   1.598    10.275   57.500   30.000
LGA    T    13_A      T    13_A     2.852     0    0.169   0.377     4.419   59.167   53.401
LGA    T    14_A      T    14_A     2.149     0    0.043   0.850     4.848   66.786   60.068
LGA    L    15_A      L    15_A     1.536     0    0.081   0.140     2.631   66.905   76.429
LGA    C    16_A      C    16_A     3.009     0    0.007   0.678     4.510   61.071   52.143
LGA    W    17_A      W    17_A     2.113     0    0.043   0.527     3.490   57.262   76.599
LGA    G    18_A      G    18_A     2.651     0    0.010   0.010     2.654   60.952   60.952
LGA    S    19_A      S    19_A     3.147     0    0.012   0.051     3.930   57.381   52.698
LGA    T    20_A      T    20_A     2.168     0    0.046   0.108     3.634   57.500   64.150
LGA    K    21_A      K    21_A     3.291     0    0.086   0.914     4.784   51.786   42.381
LGA    L    22_A      L    22_A     3.762     0    0.067   0.134     4.998   37.381   39.643
LGA    R    23_A      R    23_A     5.695     0    0.047   1.342     7.653   25.119   20.606
LGA    T    24_A      T    24_A     4.047     0    0.128   0.753     4.339   41.905   42.517
LGA    D    25_A      D    25_A     3.687     0    0.050   1.208     7.445   48.452   33.929
LGA    V    26_A      V    26_A     1.876     0    0.076   1.210     3.301   66.786   66.190
LGA    R    27_A      R    27_A     2.226     0    0.049   0.447     7.091   68.810   44.026
LGA    K    28_A      K    28_A     1.993     0    0.045   1.295     3.331   66.786   64.286
LGA    S    29_A      S    29_A     2.257     0    0.029   0.153     2.461   64.762   64.762
LGA    M    30_A      M    30_A     2.273     0    0.015   1.102     7.458   64.762   51.548
LGA    Q    31_A      Q    31_A     2.067     0    0.066   1.051     3.976   66.786   56.772
LGA    V    32_A      V    32_A     1.900     0    0.056   1.027     3.524   77.143   69.932
LGA    K    33_A      K    33_A     2.657     0    0.045   1.261     6.814   50.357   36.190
LGA    N    34_A      N    34_A     4.128     0    0.083   0.443     8.230   58.690   38.690
LGA    T    35_A      T    35_A     4.175     0    0.519   0.432     7.100   43.571   30.204
LGA    A    36_A      A    36_A     2.861     0    0.018   0.025     3.559   57.500   56.000
LGA    D    37_A      D    37_A     1.644     0    0.078   0.915     6.232   68.810   51.845
LGA    K    38_A      K    38_A     2.943     0    0.014   0.591     7.742   60.952   41.799
LGA    R    39_A      R    39_A     3.242     0    0.154   0.917     9.910   51.786   27.662
LGA    L    40_A      L    40_A     3.654     0    0.052   0.892     6.893   46.667   35.595
LGA    V    41_A      V    41_A     3.200     0    0.058   0.068     3.335   51.786   52.041
LGA    I    42_A      I    42_A     2.978     0    0.033   1.275     7.196   53.571   46.548
LGA    R    43_A      R    43_A     2.816     0    0.065   0.908     3.774   57.143   61.126
LGA    L    44_A      L    44_A     2.807     0    0.025   0.706     5.045   55.357   48.095
LGA    G    45_A      G    45_A     3.110     0    0.068   0.068     3.110   55.357   55.357
LGA    I    46_A      I    46_A     3.081     0    0.053   1.209     4.962   46.667   44.583
LGA    Q    47_A      Q    47_A     4.136     0    0.073   0.841     6.201   37.262   35.238
LGA    G    48_A      G    48_A     5.962     0    0.244   0.244     6.291   22.738   22.738
LGA    P    49_A      P    49_A     8.446     0    0.014   0.040    10.973    6.548    3.810
LGA    G    50_A      G    50_A     5.778     0    0.287   0.287     6.710   27.262   27.262
LGA    F    51_A      F    51_A     2.516     0    0.009   1.185     7.936   72.738   43.333
LGA    Q    52_A      Q    52_A     2.201     0    0.188   1.058    10.369   79.643   42.381
LGA    L    53_A      L    53_A     2.404     0    0.325   1.214     5.732   57.500   48.571
LGA    V    54_A      V    54_A     2.207     0    0.086   1.029     3.963   68.810   58.844
LGA    G    55_A      G    55_A     1.925     0    0.669   0.669     1.925   72.857   72.857
LGA    T    56_A      T    56_A     3.946     0    0.367   1.029     7.200   31.190   26.054
LGA    D    57_A      D    57_A     7.903     0    0.584   0.650    10.784   12.143    6.369
LGA    S    58_A      S    58_A     6.881     0    0.076   0.686     7.465   10.833   11.667
LGA    S    59_A      S    59_A     7.666     0    0.292   0.433     8.636   11.071    8.651
LGA    T    60_A      T    60_A     3.132     0    0.633   1.290     5.631   36.429   52.109
LGA    I    61_A      I    61_A     4.745     0    0.133   0.149     7.083   38.810   28.155
LGA    T    62_A      T    62_A     4.446     0    0.210   0.253     4.867   34.286   34.694
LGA    L    63_A      L    63_A     3.278     0    0.214   0.905     4.557   51.905   45.357
LGA    Q    64_A      Q    64_A     4.339     0    0.058   1.187     7.166   43.571   32.963
LGA    A    65_A      A    65_A     5.722     0    0.634   0.588     7.348   25.119   22.095
LGA    M    66_A      M    66_A     2.282     0    0.170   1.150     6.574   60.952   49.286
LGA    E    67_A      E    67_A     2.792     0    0.218   1.014     3.761   65.119   58.413
LGA    C    68_A      C    68_A     3.372     0    0.048   0.731     7.406   42.024   35.873
LGA    R    69_A      R    69_A     3.405     0    0.066   1.597     7.996   59.286   37.143
LGA    S    70_A      S    70_A     2.608     0    0.040   0.197     3.239   57.262   56.032
LGA    V    71_A      V    71_A     2.231     0    0.068   1.031     4.199   66.786   65.646
LGA    V    72_A      V    72_A     1.904     0    0.038   0.096     2.306   66.786   70.612
LGA    I    73_A      I    73_A     2.249     0    0.044   0.156     2.475   64.762   64.762
LGA    N    74_A      N    74_A     2.310     0    0.064   0.917     3.120   59.167   64.048
LGA    F    75_A      F    75_A     2.458     0    0.053   0.838     2.557   62.857   69.394
LGA    C    76_A      C    76_A     3.125     0    0.147   0.816     4.120   48.571   54.683
LGA    P    77_A      P    77_A     2.672     0    0.122   0.133     3.249   55.476   64.150
LGA    T    78_A      T    78_A     4.760     0    0.093   0.146     6.109   30.357   25.918
LGA    V    79_A      V    79_A     3.965     0    0.021   1.190     7.204   54.524   41.633
LGA    C    80_A      C    80_A     1.115     0    0.145   0.857     3.673   79.524   72.381
LGA    G    81_A      G    81_A     3.423     0    0.080   0.080     3.423   63.214   63.214
LGA    A    82_A      A    82_A     3.703     0    0.257   0.298     4.334   46.667   44.762
LGA    A    83_A      A    83_A     2.990     0    0.023   0.029     3.691   53.571   51.524
LGA    I    84_A      I    84_A     2.699     0    0.058   1.092     3.931   62.857   54.821
LGA    G    85_A      G    85_A     2.534     0    0.012   0.012     2.730   65.000   65.000
LGA    A    86_A      A    86_A     1.062     0    0.006   0.013     1.682   81.548   83.333
LGA    L    87_A      L    87_A     1.422     0    0.099   0.207     2.623   77.143   70.060
LGA    S    88_A      S    88_A     1.479     0    0.057   0.076     1.713   79.286   77.143
LGA    F    89_A      F    89_A     2.095     0    0.131   0.545     4.895   66.786   52.900
LGA    Y    90_A      Y    90_A     1.884     0    0.019   1.264    11.078   66.905   37.262
LGA    A    91_A      A    91_A     2.985     0    0.018   0.047     3.432   55.476   55.810
LGA    P    92_A      P    92_A     5.140     0    0.047   0.060     6.160   30.238   27.279
LGA    P    93_A      P    93_A     6.543     0    0.605   0.570     8.792   15.238   11.565
LGA    G    94_A      G    94_A     7.928     0    0.664   0.664     7.928   13.452   13.452
LGA    A    95_A      A    95_A     7.116     0    0.517   0.541    10.000    6.190    5.524
LGA    H    96_A      H    96_A     8.283     0    0.012   0.191    13.868    8.571    4.143
LGA    N    97_A      N    97_A    11.522     0    0.403   1.163    13.520    0.000    0.000
LGA    S    98_A      S    98_A    11.158     0    0.658   0.719    13.174    0.000    0.000
LGA    N    99_A      N    99_A    14.663     0    0.539   0.870    20.374    0.000    0.000
LGA    Q   100_A      Q   100_A     8.920     0    0.356   1.363    13.179    4.286    2.434
LGA    P   101_A      P   101_A     6.244     0    0.225   0.277     8.611   33.571   21.020
LGA    G   102_A      G   102_A     2.168     0    0.377   0.377     4.598   54.524   54.524
LGA    L   103_A      L   103_A     2.080     0    0.039   1.332     6.268   72.976   58.333
LGA    E   104_A      E   104_A     1.233     0    0.036   0.271     2.022   77.143   78.677
LGA    I   105_A      I   105_A     0.623     0    0.082   0.611     2.115   90.476   87.262
LGA    P   106_A      P   106_A     0.810     0    0.112   0.427     2.290   90.476   84.218
LGA    L   107_A      L   107_A     0.422     0    0.187   1.283     3.468   95.357   85.595
LGA    Y   108_A      Y   108_A     0.480     0    0.007   1.377     9.555   97.619   58.294
LGA    G   109_A      G   109_A     0.692     0    0.202   0.202     2.635   79.881   79.881
LGA    Y   110_A      Y   110_A     1.712     0    0.235   1.129    10.035   81.548   42.341
LGA    G   111_A      G   111_A     0.814     0    0.174   0.174     1.617   86.190   86.190
LGA    G   112_A      G   112_A     1.434     0    0.024   0.024     4.123   64.286   64.286
LGA    S   113_A      S   113_A     4.767     0    0.046   0.623     6.168   31.071   27.143

# 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):     6.213          6.107                  6.596           49.063   43.657

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  113  112    4.0     80    2.62    53.125    46.977     2.936

LGA_LOCAL      RMSD:   2.624  Number of atoms:   80  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   7.276  Number of assigned atoms:  112 
Std_ASGN_ATOMS RMSD:   6.213  Standard rmsd on all 112 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.951795 * X  +  -0.286345 * Y  +   0.109965 * Z  +  -1.357915
  Y_new =   0.034045 * X  +  -0.257667 * Y  +  -0.965634 * Z  + -11.275690
  Z_new =   0.304839 * X  +   0.922829 * Y  +  -0.235498 * Z  + -38.556564 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.035754 -0.309769  1.820655   [DEG:    2.0486  -17.7485  104.3158 ]
ZXZ:  0.113390  1.808527  0.319045   [DEG:    6.4968  103.6210   18.2800 ]
 
# END of job
