
#######################################################
#                                                     #
#                        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  109 (  812),  selected  109 , name one
# Molecule2: number of CA atoms  112 (  831),  selected  109 , 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       4.89     4.89
  LCS_AVERAGE:     97.32

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    23      10_A - 32_A        1.98     6.72
  LONGEST_CONTINUOUS_SEGMENT:    23      11_A - 33_A        1.91     6.78
  LCS_AVERAGE:     15.54

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    14      66_A - 79_A        0.97     6.89
  LCS_AVERAGE:      8.49

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  109
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     L     5_A     L     5_A      3    5  109      3    3    4    4    4    5    7   13   18   20   21   26   31   36   40   46   49   52   59   64 
LCS_GDT     L     6_A     L     6_A      3    7  109      3    3    4    5    6    7    8   13   18   20   20   23   29   33   35   46   49   52   64   89 
LCS_GDT     P     7_A     P     7_A      7    8  109      3    6    7    7    8    8   10   12   15   27   41   46   55   76   87   97  104  106  106  107 
LCS_GDT     L     8_A     L     8_A      7    8  109      3    6    7    7    8   10   16   29   39   57   75   84   96  101  103  104  105  106  106  107 
LCS_GDT     K     9_A     K     9_A      7    8  109      3    6    7   10   22   36   58   66   80   87   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     V    10_A     V    10_A      7   23  109      3    6   12   25   42   59   69   78   83   87   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     T    11_A     T    11_A      7   23  109      3   13   21   33   44   59   69   78   83   87   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     H    12_A     H    12_A     11   23  109      7   13   22   30   44   53   69   78   83   87   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     T    13_A     T    13_A     11   23  109      7   13   21   30   44   54   69   78   83   87   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     T    14_A     T    14_A     11   23  109      7   13   21   33   44   59   69   78   83   87   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     L    15_A     L    15_A     11   23  109      7   13   21   33   44   59   69   78   83   87   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     C    16_A     C    16_A     11   23  109      7   13   21   31   44   59   69   78   83   87   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     W    17_A     W    17_A     12   23  109      6   13   21   33   44   59   69   78   83   87   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     G    18_A     G    18_A     12   23  109      6   13   21   33   44   59   69   78   83   87   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     S    19_A     S    19_A     12   23  109      6   13   21   31   44   53   69   78   83   87   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     T    20_A     T    20_A     12   23  109      6   16   22   33   44   59   69   78   83   87   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     K    21_A     K    21_A     12   23  109      8   17   22   31   43   53   66   78   83   87   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     L    22_A     L    22_A     12   23  109      8   17   22   31   43   53   66   78   83   87   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     R    23_A     R    23_A     12   23  109      4   17   22   29   35   44   56   65   77   85   91   95   98  101  103  104  105  106  106  107 
LCS_GDT     T    24_A     T    24_A     12   23  109      6   17   22   29   40   48   61   75   82   86   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     D    25_A     D    25_A     12   23  109      8   17   22   29   40   52   61   78   83   87   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     V    26_A     V    26_A     12   23  109      7   17   22   33   44   59   69   78   83   87   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     R    27_A     R    27_A     12   23  109      8   17   22   33   44   59   69   78   83   87   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     K    28_A     K    28_A     12   23  109      7   17   22   33   44   59   69   78   83   87   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     S    29_A     S    29_A     11   23  109      7   15   22   33   44   59   69   78   83   87   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     M    30_A     M    30_A     11   23  109      7   15   22   33   44   59   69   78   83   87   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     Q    31_A     Q    31_A      9   23  109      7   15   21   33   44   59   69   78   83   87   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     V    32_A     V    32_A      8   23  109      5   11   21   30   44   59   69   78   83   87   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     K    33_A     K    33_A      8   23  109      5   10   21   30   44   59   69   78   83   87   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     N    34_A     N    34_A      7   20  109      5    8   13   25   42   59   69   78   83   87   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     T    35_A     T    35_A     11   20  109      3    8   16   23   38   57   68   78   83   87   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     A    36_A     A    36_A     13   20  109      4   10   21   30   44   59   69   78   83   87   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     D    37_A     D    37_A     13   20  109      5   11   18   30   44   59   69   78   83   87   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     K    38_A     K    38_A     13   20  109      5   11   17   30   44   59   69   78   83   87   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     R    39_A     R    39_A     13   20  109      5   11   17   26   43   59   69   78   83   87   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     L    40_A     L    40_A     13   20  109      6    6   17   26   39   53   69   78   83   87   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     V    41_A     V    41_A     13   20  109      6   11   17   26   41   59   69   78   83   87   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     I    42_A     I    42_A     13   20  109      6   10   17   26   41   59   69   78   83   87   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     R    43_A     R    43_A     13   20  109      6   11   17   30   44   59   69   78   83   87   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     L    44_A     L    44_A     13   20  109      6   11   17   30   44   59   69   78   83   87   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     G    45_A     G    45_A     13   20  109      5   11   15   29   42   59   69   78   83   87   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     I    46_A     I    46_A     13   20  109      4   11   16   30   42   59   69   78   83   87   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     Q    47_A     Q    47_A     13   20  109      4   11   15   26   38   55   65   78   83   87   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     G    48_A     G    48_A     13   20  109      4   11   15   21   31   45   61   70   79   87   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     P    49_A     P    49_A     13   20  109      4    4   13   21   23   36   45   61   71   77   85   92   98  100  102  104  105  106  106  107 
LCS_GDT     G    50_A     G    50_A     10   20  109      4   10   15   25   34   49   61   71   79   87   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     F    51_A     F    51_A      5   19  109      4    4   14   29   44   59   69   78   83   87   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     Q    52_A     Q    52_A      4   15  109      3    5   16   31   44   59   69   78   83   87   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     L    53_A     L    53_A      4   14  109      3    5   11   25   44   59   69   78   83   87   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     V    54_A     V    54_A      4    7  109      3    7   16   33   44   59   69   78   83   87   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     G    55_A     G    55_A      4    7  109      3    5   11   30   44   59   69   78   83   87   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     T    56_A     T    56_A      4    7  109      3    6   13   23   40   57   69   78   83   87   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     D    57_A     D    57_A      4    7  109      3    4    4    6    8   13   22   44   58   79   85   95   99  101  103  104  105  106  106  107 
LCS_GDT     S    58_A     S    58_A      4    7  109      3    4    9   18   24   35   52   66   74   83   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     S    59_A     S    59_A      4    6  109      3    3   11   15   23   31   40   52   71   79   88   96   99  101  103  104  105  106  106  107 
LCS_GDT     T    60_A     T    60_A      4    6  109      6   10   17   30   43   59   69   78   83   87   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     I    61_A     I    61_A      4    8  109      3    3    7   20   23   35   51   64   75   85   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     T    62_A     T    62_A      5    8  109      3    5    6   20   23   35   55   71   81   87   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     L    63_A     L    63_A      5   18  109      3    5   15   20   44   58   69   78   83   87   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     Q    64_A     Q    64_A      5   18  109      3   11   18   23   27   51   67   76   83   87   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     A    65_A     A    65_A      5   18  109      3    5    5   10   24   25   32   52   69   85   91   96   98  101  103  104  105  106  106  107 
LCS_GDT     M    66_A     M    66_A     14   22  109      5   14   20   33   44   59   69   78   83   87   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     E    67_A     E    67_A     14   22  109      3   15   21   33   44   59   69   78   83   87   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     C    68_A     C    68_A     14   22  109      3   15   21   33   44   58   69   78   83   87   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     R    69_A     R    69_A     14   22  109      4   11   16   23   38   53   69   78   83   87   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     S    70_A     S    70_A     14   22  109      4   15   21   33   44   59   69   78   83   87   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     V    71_A     V    71_A     14   22  109      6   15   21   33   44   59   69   78   83   87   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     V    72_A     V    72_A     14   22  109      6   15   21   33   44   59   69   78   83   87   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     I    73_A     I    73_A     14   22  109      7   15   22   33   44   59   69   78   83   87   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     N    74_A     N    74_A     14   22  109      7   15   22   33   44   59   69   78   83   87   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     F    75_A     F    75_A     14   22  109      7   17   22   31   44   59   69   78   83   87   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     C    76_A     C    76_A     14   22  109      8   17   22   29   43   54   69   78   83   87   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     P    77_A     P    77_A     14   22  109      6   17   22   31   44   59   69   78   83   87   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     T    78_A     T    78_A     14   22  109      8   17   22   29   40   52   61   75   83   86   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     V    79_A     V    79_A     14   22  109      5   17   22   31   44   53   69   78   83   87   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     C    80_A     C    80_A     11   22  109      8   17   22   33   44   59   69   78   83   87   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     G    81_A     G    81_A     11   22  109      4    8   17   30   44   59   69   78   83   87   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     A    82_A     A    82_A     11   22  109      5   13   22   30   42   59   69   78   83   87   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     A    83_A     A    83_A     10   22  109      3    8   22   30   44   59   69   78   83   87   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     I    84_A     I    84_A      9   22  109      3   14   22   30   44   59   69   78   83   87   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     G    85_A     G    85_A      9   22  109      5   11   19   30   44   59   69   78   83   87   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     A    86_A     A    86_A      9   22  109      5   14   21   33   44   59   69   78   83   87   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     L    87_A     L    87_A      9   22  109      5   11   18   33   44   59   69   78   83   87   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     S    88_A     S    88_A      9   15  109      5   11   18   33   44   59   69   78   83   87   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     F    89_A     F    89_A      9   15  109      5   11   17   31   44   59   69   78   83   87   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     Y    90_A     Y    90_A      9   15  109      4   11   17   31   44   59   69   78   83   87   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     A    91_A     A    91_A      9   15  109      4   11   17   26   44   59   69   78   83   87   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     P    92_A     P    92_A      9   15  109      4   11   16   30   41   59   69   78   83   87   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     P    93_A     P    93_A      7   15  109      4    5   11   26   39   57   66   76   82   87   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     G    94_A     G    94_A      6   15  109      4    4   10   26   39   57   66   75   82   87   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     A    95_A     A    95_A      5   15  109      3    4    6    7   30   42   58   73   82   87   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     H    96_A     H    96_A      5    9  109      3    4    7    9   12   32   42   52   64   79   88   95   99  101  103  104  105  106  106  107 
LCS_GDT     N    97_A     N    97_A      5    9  109      3    4    7    9   12   20   29   33   39   48   60   82   88   93   99  103  105  106  106  107 
LCS_GDT     S    98_A     S    98_A      5    9  109      3    4    7    9   15   21   39   50   65   77   87   95   99  101  103  104  105  106  106  107 
LCS_GDT     N    99_A     N    99_A      5    9  109      3    4    6    6   10   13   19   20   26   44   54   66   71   91   98  101  103  105  106  107 
LCS_GDT     Q   100_A     Q   100_A      4    9  109      3    4    6    8   20   32   42   57   74   82   89   95   99  101  103  104  105  106  106  107 
LCS_GDT     P   101_A     P   101_A      4   11  109      3    4    7    8   30   37   57   67   80   87   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     G   102_A     G   102_A     10   12  109      4   13   19   33   44   59   69   78   83   87   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     L   103_A     L   103_A     10   12  109      5   11   17   31   44   59   69   78   83   87   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     E   104_A     E   104_A     10   12  109      7   13   21   33   44   59   69   78   83   87   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     I   105_A     I   105_A     10   12  109      7   13   21   33   44   59   69   78   83   87   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     P   106_A     P   106_A     10   12  109      5   12   21   33   44   59   69   78   83   87   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     L   107_A     L   107_A     10   12  109      5   14   21   33   44   59   69   78   83   87   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     Y   108_A     Y   108_A     10   12  109      5   14   22   33   44   59   69   78   83   87   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     G   109_A     G   109_A     10   12  109      5   16   22   33   44   59   69   78   83   87   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     Y   110_A     Y   110_A     10   12  109      8   17   22   30   44   59   69   78   83   87   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     G   111_A     G   111_A     10   12  109      5   17   22   33   44   59   69   78   83   87   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     G   112_A     G   112_A      6   12  109      5   17   22   33   44   54   69   78   83   87   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     S   113_A     S   113_A      3   12  109      3    3    5    8   20   37   54   70   81   87   93   96   99  101  103  104  105  106  106  107 
LCS_AVERAGE  LCS_A:  40.45  (   8.49   15.54   97.32 )

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     22     33     44     59     69     78     83     87     93     96     99    101    103    104    105    106    106    107 
GDT PERCENT_AT   7.14  15.18  19.64  29.46  39.29  52.68  61.61  69.64  74.11  77.68  83.04  85.71  88.39  90.18  91.96  92.86  93.75  94.64  94.64  95.54
GDT RMS_LOCAL    0.32   0.58   0.85   1.47   1.77   2.17   2.38   2.62   2.76   2.92   3.15   3.29   3.53   3.62   3.79   3.87   4.01   4.17   4.16   4.30
GDT RMS_ALL_AT  13.43  12.67  11.34   6.07   6.13   5.18   5.29   5.28   5.36   5.20   5.19   5.20   5.07   5.09   5.02   5.03   4.97   4.95   4.94   4.92

# 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
#   possible swapping detected:  E   104_A      E   104_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    L     5_A      L     5_A    21.352     0    0.089   0.829    23.470    0.000    0.000
LGA    L     6_A      L     6_A    19.269     0    0.337   0.848    23.522    0.000    0.000
LGA    P     7_A      P     7_A    14.087     0    0.351   0.324    18.734    0.000    0.000
LGA    L     8_A      L     8_A     9.986     0    0.006   0.870    11.541    3.810    1.905
LGA    K     9_A      K     9_A     6.051     0    0.071   0.934     7.477   19.881   20.952
LGA    V    10_A      V    10_A     3.052     0    0.030   0.240     4.024   54.167   52.449
LGA    T    11_A      T    11_A     1.389     0    0.034   1.214     3.173   71.429   69.864
LGA    H    12_A      H    12_A     3.548     0    0.643   1.598     9.915   55.833   29.714
LGA    T    13_A      T    13_A     3.270     0    0.049   0.291     4.754   53.810   46.735
LGA    T    14_A      T    14_A     2.094     0    0.083   1.012     3.986   66.905   62.993
LGA    L    15_A      L    15_A     1.439     0    0.074   0.144     2.521   69.048   78.690
LGA    C    16_A      C    16_A     2.919     0    0.063   0.725     4.312   64.881   56.667
LGA    W    17_A      W    17_A     2.083     0    0.075   0.423     3.683   57.500   76.054
LGA    G    18_A      G    18_A     2.754     0    0.052   0.052     2.870   59.048   59.048
LGA    S    19_A      S    19_A     3.698     0    0.005   0.598     4.274   48.452   46.825
LGA    T    20_A      T    20_A     2.840     0    0.048   0.066     4.467   46.905   54.626
LGA    K    21_A      K    21_A     4.254     0    0.072   0.951     5.651   40.357   31.429
LGA    L    22_A      L    22_A     4.491     0    0.072   0.143     5.960   30.476   34.702
LGA    R    23_A      R    23_A     6.479     0    0.043   0.654     8.378   16.429   10.693
LGA    T    24_A      T    24_A     5.268     0    0.074   1.292     5.421   31.786   30.136
LGA    D    25_A      D    25_A     4.551     0    0.099   0.524     7.538   34.524   24.167
LGA    V    26_A      V    26_A     2.042     0    0.044   1.254     3.267   62.857   65.102
LGA    R    27_A      R    27_A     2.134     0    0.028   0.530     5.930   68.810   49.870
LGA    K    28_A      K    28_A     1.875     0    0.010   1.125     3.010   70.833   67.725
LGA    S    29_A      S    29_A     1.888     0    0.065   0.494     2.438   72.857   71.508
LGA    M    30_A      M    30_A     1.907     0    0.012   1.135     7.544   72.857   56.250
LGA    Q    31_A      Q    31_A     1.820     0    0.045   0.496     5.227   70.833   52.698
LGA    V    32_A      V    32_A     1.890     0    0.081   1.030     3.572   75.000   68.707
LGA    K    33_A      K    33_A     2.420     0    0.039   1.270     6.446   55.714   41.323
LGA    N    34_A      N    34_A     3.830     0    0.107   0.453     8.074   62.143   41.548
LGA    T    35_A      T    35_A     3.947     0    0.556   0.473     6.849   48.452   34.558
LGA    A    36_A      A    36_A     2.666     0    0.041   0.039     3.361   61.190   60.381
LGA    D    37_A      D    37_A     1.461     0    0.050   0.853     5.933   72.976   53.869
LGA    K    38_A      K    38_A     2.582     0    0.036   0.877     8.123   64.881   43.439
LGA    R    39_A      R    39_A     3.000     0    0.112   0.913     9.649   55.357   29.827
LGA    L    40_A      L    40_A     3.461     0    0.010   0.815     6.484   50.000   38.333
LGA    V    41_A      V    41_A     3.118     0    0.090   0.115     3.227   51.786   52.041
LGA    I    42_A      I    42_A     2.998     0    0.085   0.784     6.218   53.571   47.679
LGA    R    43_A      R    43_A     2.670     0    0.023   1.213     6.371   57.143   49.221
LGA    L    44_A      L    44_A     2.634     0    0.024   0.722     4.909   57.143   50.536
LGA    G    45_A      G    45_A     3.076     0    0.090   0.090     3.076   53.571   53.571
LGA    I    46_A      I    46_A     3.166     0    0.040   1.260     5.060   46.667   43.095
LGA    Q    47_A      Q    47_A     4.472     0    0.065   0.957     7.281   35.833   28.677
LGA    G    48_A      G    48_A     6.289     0    0.263   0.263     6.508   19.524   19.524
LGA    P    49_A      P    49_A     8.593     0    0.019   0.063    11.128    4.881    2.857
LGA    G    50_A      G    50_A     5.877     0    0.265   0.265     6.840   25.833   25.833
LGA    F    51_A      F    51_A     2.750     0    0.013   1.413     7.190   72.738   41.429
LGA    Q    52_A      Q    52_A     2.061     0    0.170   1.016    10.318   82.024   44.339
LGA    L    53_A      L    53_A     2.478     0    0.284   1.333     5.884   59.167   48.571
LGA    V    54_A      V    54_A     1.993     0    0.087   1.042     3.648   68.929   59.864
LGA    G    55_A      G    55_A     2.213     0    0.673   0.673     2.213   68.810   68.810
LGA    T    56_A      T    56_A     4.057     0    0.261   1.088     6.947   31.667   26.803
LGA    D    57_A      D    57_A     7.872     0    0.602   0.724    10.528   12.143    6.369
LGA    S    58_A      S    58_A     6.898     0    0.053   0.662     7.320   11.667   14.365
LGA    S    59_A      S    59_A     7.365     0    0.329   0.462     8.479   14.524   11.270
LGA    T    60_A      T    60_A     2.947     0    0.617   1.108     5.282   42.500   53.333
LGA    I    61_A      I    61_A     5.137     0    0.180   1.108     7.498   34.524   25.595
LGA    T    62_A      T    62_A     4.584     0    0.234   0.309     5.197   31.548   32.313
LGA    L    63_A      L    63_A     3.265     0    0.203   0.902     4.831   51.905   44.583
LGA    Q    64_A      Q    64_A     4.226     0    0.049   1.101     7.128   45.357   35.026
LGA    A    65_A      A    65_A     5.925     0    0.634   0.589     7.551   24.048   20.667
LGA    M    66_A      M    66_A     2.507     0    0.169   1.109     6.574   55.357   46.488
LGA    E    67_A      E    67_A     2.873     0    0.203   0.969     3.411   65.119   60.053
LGA    C    68_A      C    68_A     3.192     0    0.015   0.782     6.327   42.024   37.063
LGA    R    69_A      R    69_A     3.696     0    0.098   1.554     9.523   55.595   31.082
LGA    S    70_A      S    70_A     2.596     0    0.077   0.687     4.262   53.571   51.429
LGA    V    71_A      V    71_A     2.321     0    0.082   1.040     4.419   66.786   64.558
LGA    V    72_A      V    72_A     1.885     0    0.040   0.141     2.334   66.786   71.837
LGA    I    73_A      I    73_A     2.348     0    0.048   0.551     2.632   64.762   60.952
LGA    N    74_A      N    74_A     2.449     0    0.060   0.594     3.418   59.167   68.512
LGA    F    75_A      F    75_A     2.680     0    0.075   0.867     2.856   57.143   66.494
LGA    C    76_A      C    76_A     3.681     0    0.141   0.811     4.694   42.024   46.349
LGA    P    77_A      P    77_A     2.884     0    0.112   0.123     3.583   50.238   59.932
LGA    T    78_A      T    78_A     4.948     0    0.090   0.162     6.124   30.357   25.918
LGA    V    79_A      V    79_A     3.764     0    0.016   1.194     6.773   56.071   44.626
LGA    C    80_A      C    80_A     1.228     0    0.124   0.866     3.924   79.524   71.032
LGA    G    81_A      G    81_A     3.132     0    0.035   0.035     3.132   63.214   63.214
LGA    A    82_A      A    82_A     3.874     0    0.253   0.287     4.573   45.119   42.381
LGA    A    83_A      A    83_A     3.142     0    0.023   0.029     3.707   51.786   50.095
LGA    I    84_A      I    84_A     2.811     0    0.064   1.108     3.927   59.048   52.917
LGA    G    85_A      G    85_A     2.583     0    0.012   0.012     2.813   60.952   60.952
LGA    A    86_A      A    86_A     1.331     0    0.009   0.017     1.858   79.286   79.714
LGA    L    87_A      L    87_A     1.334     0    0.139   0.123     2.690   79.286   72.083
LGA    S    88_A      S    88_A     1.355     0    0.086   0.117     1.438   81.429   81.429
LGA    F    89_A      F    89_A     1.967     0    0.138   0.594     4.748   70.833   56.883
LGA    Y    90_A      Y    90_A     1.704     0    0.075   1.253    10.778   66.905   37.897
LGA    A    91_A      A    91_A     2.634     0    0.023   0.034     2.877   62.857   61.714
LGA    P    92_A      P    92_A     3.551     0    0.122   0.351     5.297   50.119   42.993
LGA    P    93_A      P    93_A     4.921     0    0.598   0.584     7.065   31.429   24.898
LGA    G    94_A      G    94_A     5.363     0    0.573   0.573     5.560   33.690   33.690
LGA    A    95_A      A    95_A     5.472     0    0.458   0.477     9.126   14.762   13.810
LGA    H    96_A      H    96_A     9.254     0    0.146   1.489     9.974    4.167    1.952
LGA    N    97_A      N    97_A    13.294     0    0.488   1.215    16.795    0.000    0.000
LGA    S    98_A      S    98_A    10.119     0    0.221   0.773    11.233    0.000    3.333
LGA    N    99_A      N    99_A    13.949     0    0.532   0.882    19.976    0.000    0.000
LGA    Q   100_A      Q   100_A     8.276     0    0.361   1.331    11.768    6.190    4.074
LGA    P   101_A      P   101_A     5.791     0    0.144   0.191     8.503   37.381   23.878
LGA    G   102_A      G   102_A     2.400     0    0.350   0.350     5.075   53.452   53.452
LGA    L   103_A      L   103_A     2.105     0    0.030   1.323     6.104   72.976   60.238
LGA    E   104_A      E   104_A     1.363     0    0.027   0.530     2.926   77.143   74.921
LGA    I   105_A      I   105_A     0.693     0    0.048   0.057     1.356   90.476   88.214
LGA    P   106_A      P   106_A     0.685     0    0.138   0.178     1.269   97.619   91.973
LGA    L   107_A      L   107_A     0.250     0    0.192   1.291     3.300   95.357   84.524
LGA    Y   108_A      Y   108_A     0.478     0    0.008   1.389     9.676  100.000   58.294
LGA    G   109_A      G   109_A     0.777     0    0.196   0.196     2.779   77.738   77.738
LGA    Y   110_A      Y   110_A     1.683     0    0.218   1.065     9.474   83.810   43.730
LGA    G   111_A      G   111_A     1.241     0    0.092   0.092     1.962   81.786   81.786
LGA    G   112_A      G   112_A     3.285     0    0.124   0.124     4.229   48.571   48.571
LGA    S   113_A      S   113_A     5.487     0    0.105   0.624     9.437   32.976   23.016

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      109     436    436  100.00     812    812  100.00               112
SUMMARY(RMSD_GDC):     4.886          4.794                  5.536           49.128   43.481

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  109  112    4.0     78    2.62    51.786    46.092     2.867

LGA_LOCAL      RMSD:   2.621  Number of atoms:   78  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   5.281  Number of assigned atoms:  109 
Std_ASGN_ATOMS RMSD:   4.886  Standard rmsd on all 109 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.309300 * X  +   0.259593 * Y  +  -0.914847 * Z  + -24.588301
  Y_new =   0.785303 * X  +  -0.612273 * Y  +   0.091767 * Z  + -20.495321
  Z_new =  -0.536314 * X  +  -0.746816 * Y  +  -0.393235 * Z  + -34.090084 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.195594  0.566064 -2.055457   [DEG:   68.5025   32.4331 -117.7690 ]
ZXZ: -1.670770  1.974944 -2.518800   [DEG:  -95.7281  113.1559 -144.3166 ]
 
# END of job
