
#######################################################
#                                                     #
#                        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       4.88     4.88
  LCS_AVERAGE:     97.32

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    23      10_A - 32_A        1.97     6.71
  LONGEST_CONTINUOUS_SEGMENT:    23      11_A - 33_A        1.90     6.77
  LCS_AVERAGE:     15.69

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    14      66_A - 79_A        0.96     6.89
  LCS_AVERAGE:      8.48

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   17   18   20   21   27   31   37   41   46   49   52   58   64 
LCS_GDT     L     6_A     L     6_A      3    7  109      3    3    4    6    6    7    8   13   18   20   20   27   29   33   41   46   49   52   67   89 
LCS_GDT     P     7_A     P     7_A      7    8  109      3    6    7    7    8    8   10   11   15   27   41   46   56   75   87   96  105  106  106  107 
LCS_GDT     L     8_A     L     8_A      7    8  109      3    6    7    7    8   10   16   29   39   62   70   84   91  101  103  104  105  106  106  107 
LCS_GDT     K     9_A     K     9_A      7    8  109      3    6    8   10   22   36   55   65   80   88   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     V    10_A     V    10_A      7   23  109      3    6   12   26   42   59   69   78   83   88   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     T    11_A     T    11_A      7   23  109      3   14   23   33   45   59   69   78   83   88   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     H    12_A     H    12_A     11   23  109      6   13   23   32   44   53   69   78   83   88   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     T    13_A     T    13_A     11   23  109      6   13   21   32   44   54   69   78   83   88   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     T    14_A     T    14_A     11   23  109      6   13   21   33   45   59   69   78   83   88   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     L    15_A     L    15_A     11   23  109      6   13   21   33   45   59   69   78   83   88   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     C    16_A     C    16_A     11   23  109      6   13   21   32   44   59   69   78   83   88   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   88   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   88   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     S    19_A     S    19_A     12   23  109      6   13   21   32   44   54   69   78   83   88   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     T    20_A     T    20_A     12   23  109      6   16   23   33   44   59   69   78   83   88   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     K    21_A     K    21_A     12   23  109      7   17   23   32   43   54   67   78   83   88   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     L    22_A     L    22_A     12   23  109      7   17   23   32   43   54   66   78   83   88   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     R    23_A     R    23_A     12   23  109      3   17   23   29   36   45   56   67   77   85   91   95   98  101  103  104  105  106  106  107 
LCS_GDT     T    24_A     T    24_A     12   23  109      7   17   23   30   37   48   61   74   82   86   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     D    25_A     D    25_A     12   23  109      7   17   23   30   41   53   66   78   83   88   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     V    26_A     V    26_A     12   23  109      7   17   23   33   45   59   69   78   83   88   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     R    27_A     R    27_A     12   23  109      7   17   23   33   45   59   69   78   83   88   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     K    28_A     K    28_A     12   23  109      7   17   23   33   45   59   69   78   83   88   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     S    29_A     S    29_A     11   23  109      7   15   23   33   45   59   69   78   83   88   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     M    30_A     M    30_A     11   23  109      7   15   23   33   45   59   69   78   83   88   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     Q    31_A     Q    31_A      9   23  109      7   15   23   33   45   59   69   78   83   88   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   45   59   69   78   83   88   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   45   59   69   78   83   88   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     N    34_A     N    34_A      7   21  109      5    7   13   25   42   59   69   78   83   88   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     T    35_A     T    35_A     11   21  109      3    8   16   23   38   57   68   78   83   88   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     A    36_A     A    36_A     13   21  109      5   11   21   30   45   59   69   78   83   88   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     D    37_A     D    37_A     13   21  109      6   11   18   30   45   59   69   78   83   88   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     K    38_A     K    38_A     13   21  109      5   11   17   30   45   59   69   78   83   88   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     R    39_A     R    39_A     13   21  109      5   11   17   27   44   59   69   78   83   88   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     L    40_A     L    40_A     13   21  109      6    6   16   27   40   54   69   78   83   88   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     V    41_A     V    41_A     13   21  109      6   11   16   27   41   59   69   78   83   88   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     I    42_A     I    42_A     13   21  109      6   11   17   27   41   59   69   78   83   88   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     R    43_A     R    43_A     13   21  109      6   11   17   30   45   59   69   78   83   88   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     L    44_A     L    44_A     13   21  109      6   11   17   30   45   59   69   78   83   88   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     G    45_A     G    45_A     13   21  109      5   11   17   30   42   59   69   78   83   88   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     I    46_A     I    46_A     13   21  109      4   11   17   30   42   59   69   78   83   88   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     Q    47_A     Q    47_A     13   21  109      4   11   15   27   38   55   67   78   83   88   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     G    48_A     G    48_A     13   21  109      4   11   15   21   32   46   61   70   78   86   93   96   98  101  103  104  105  106  106  107 
LCS_GDT     P    49_A     P    49_A     13   21  109      4    4   13   21   23   36   46   61   72   77   85   92   98  100  102  104  105  106  106  107 
LCS_GDT     G    50_A     G    50_A     10   21  109      4   10   15   25   34   49   61   71   79   86   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     F    51_A     F    51_A      5   19  109      4    4   14   30   45   59   69   78   83   88   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     Q    52_A     Q    52_A      4   15  109      3    6   15   30   45   59   69   78   83   88   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     L    53_A     L    53_A      4   15  109      3    5   12   26   44   59   69   78   83   88   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     V    54_A     V    54_A      4    7  109      3    6   16   30   45   59   69   78   83   88   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     G    55_A     G    55_A      4    7  109      3    5   12   30   44   59   69   78   83   88   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     T    56_A     T    56_A      4    7  109      3    5   13   23   40   57   69   78   83   88   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   34   52   62   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   12   17   23   30   40   52   71   80   89   96   99  101  103  104  105  106  106  107 
LCS_GDT     T    60_A     T    60_A      4    6  109      6    9   17   30   45   59   69   78   83   88   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     I    61_A     I    61_A      4    8  109      3    3    6   20   23   35   51   64   75   85   92   96   99  101  103  104  105  106  106  107 
LCS_GDT     T    62_A     T    62_A      5    8  109      3    5    5   20   23   35   55   71   81   88   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   59   69   78   83   88   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     Q    64_A     Q    64_A      5   18  109      3   11   17   23   27   52   67   77   83   88   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     A    65_A     A    65_A      5   18  109      3    5    5    9   23   27   32   50   68   85   91   96   98  101  103  104  105  106  106  107 
LCS_GDT     M    66_A     M    66_A     14   22  109      5   14   23   33   44   59   69   78   83   88   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     E    67_A     E    67_A     14   22  109      3   15   23   33   44   59   69   78   83   88   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     C    68_A     C    68_A     14   22  109      3   15   23   33   44   59   69   78   83   88   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     R    69_A     R    69_A     14   22  109      3   11   16   23   36   53   69   78   83   88   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     S    70_A     S    70_A     14   22  109      3   15   23   33   45   59   69   78   83   88   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     V    71_A     V    71_A     14   22  109      5   15   23   33   45   59   69   78   83   88   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     V    72_A     V    72_A     14   22  109      5   15   23   33   45   59   69   78   83   88   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     I    73_A     I    73_A     14   22  109      7   15   23   33   45   59   69   78   83   88   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     N    74_A     N    74_A     14   22  109      6   15   23   33   44   59   69   78   83   88   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     F    75_A     F    75_A     14   22  109      7   17   23   31   44   59   69   78   83   88   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     C    76_A     C    76_A     14   22  109      7   17   23   30   43   54   69   78   83   88   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     P    77_A     P    77_A     14   22  109      7   17   23   31   44   58   69   78   83   88   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     T    78_A     T    78_A     14   22  109      7   17   23   29   41   53   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      6   17   23   31   44   54   69   78   83   88   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     C    80_A     C    80_A     11   22  109      7   17   23   33   45   59   69   78   83   88   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     G    81_A     G    81_A     10   22  109      3    8   17   30   45   59   69   78   83   88   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     A    82_A     A    82_A     10   22  109      5   13   22   30   42   59   69   78   83   88   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   45   59   69   78   83   88   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     I    84_A     I    84_A      9   22  109      4   15   23   30   45   59   69   78   83   88   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     G    85_A     G    85_A      9   22  109      3    9   19   30   45   59   69   78   83   88   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   45   59   69   78   83   88   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     L    87_A     L    87_A      9   22  109      4    9   18   33   45   59   69   78   83   88   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     S    88_A     S    88_A      9   15  109      4    9   18   33   45   59   69   78   83   88   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     F    89_A     F    89_A      9   15  109      4   10   17   30   45   59   69   78   83   88   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     Y    90_A     Y    90_A      9   15  109      4   10   17   30   45   59   69   78   83   88   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     A    91_A     A    91_A      9   15  109      4   10   17   27   45   59   69   78   83   88   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     P    92_A     P    92_A      9   15  109      4   11   17   30   41   59   69   78   83   88   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   67   76   83   88   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     G    94_A     G    94_A      6   15  109      4    5   10   26   39   57   67   76   82   88   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     A    95_A     A    95_A      5   15  109      3    4    6    9   30   45   58   73   81   88   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     H    96_A     H    96_A      5    9  109      4    4    7    9   13   32   42   51   65   80   89   96   99  101  103  104  105  106  106  107 
LCS_GDT     N    97_A     N    97_A      5    9  109      4    4    7    9   12   20   29   34   39   48   60   83   88   95   99  103  105  106  106  107 
LCS_GDT     S    98_A     S    98_A      5    9  109      4    4    7   10   15   21   39   50   67   77   87   95   99  101  103  104  105  106  106  107 
LCS_GDT     N    99_A     N    99_A      5    9  109      4    4    6    6    9   12   16   21   23   44   59   66   71   91   98  101  103  105  106  107 
LCS_GDT     Q   100_A     Q   100_A      4    9  109      3    3    6    9   21   32   42   57   74   82   89   96   99  101  103  104  105  106  106  107 
LCS_GDT     P   101_A     P   101_A      4   11  109      3    4    7    9   30   40   57   69   81   88   92   96   99  101  103  104  105  106  106  107 
LCS_GDT     G   102_A     G   102_A     10   12  109      4   13   23   33   45   59   69   78   83   88   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     L   103_A     L   103_A     10   12  109      5    9   20   31   45   59   69   78   83   88   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     E   104_A     E   104_A     10   12  109      5   13   23   33   45   59   69   78   83   88   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     I   105_A     I   105_A     10   12  109      6   13   23   33   45   59   69   78   83   88   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     P   106_A     P   106_A     10   12  109      6   12   23   33   45   59   69   78   83   88   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     L   107_A     L   107_A     10   12  109      6   14   23   33   45   59   69   78   83   88   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     Y   108_A     Y   108_A     10   12  109      6   14   23   33   45   59   69   78   83   88   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     G   109_A     G   109_A     10   12  109      6   16   23   33   45   59   69   78   83   88   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     Y   110_A     Y   110_A     10   12  109      7   17   22   30   45   59   69   78   83   88   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     G   111_A     G   111_A     10   12  109      5   17   23   33   45   59   69   78   83   88   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     G   112_A     G   112_A      6   12  109      6   17   23   33   44   55   69   78   83   88   93   96   99  101  103  104  105  106  106  107 
LCS_GDT     S   113_A     S   113_A      3   12  109      3    4    5    8   19   37   55   70   81   86   93   96   99  101  103  104  105  106  106  107 
LCS_AVERAGE  LCS_A:  40.50  (   8.48   15.69   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      7     17     23     33     45     59     69     78     83     88     93     96     99    101    103    104    105    106    106    107 
GDT PERCENT_AT   6.25  15.18  20.54  29.46  40.18  52.68  61.61  69.64  74.11  78.57  83.04  85.71  88.39  90.18  91.96  92.86  93.75  94.64  94.64  95.54
GDT RMS_LOCAL    0.30   0.58   0.99   1.46   1.92   2.16   2.38   2.61   2.76   2.96   3.18   3.29   3.58   3.61   3.79   3.86   4.00   4.16   4.15   4.29
GDT RMS_ALL_AT   6.36  12.64   9.48   6.07   5.22   5.18   5.27   5.28   5.36   5.15   5.21   5.20   5.01   5.09   5.01   5.02   4.97   4.94   4.93   4.91

# 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    21.395     0    0.067   0.823    23.472    0.000    0.000
LGA    L     6_A      L     6_A    19.275     0    0.364   0.835    23.523    0.000    0.000
LGA    P     7_A      P     7_A    14.071     0    0.321   0.313    18.749    0.000    0.000
LGA    L     8_A      L     8_A     9.967     0    0.020   0.870    11.527    3.810    1.905
LGA    K     9_A      K     9_A     6.063     0    0.075   0.946     7.483   19.881   20.370
LGA    V    10_A      V    10_A     3.062     0    0.032   0.239     3.999   55.714   54.354
LGA    T    11_A      T    11_A     1.425     0    0.025   1.233     3.167   71.429   69.864
LGA    H    12_A      H    12_A     3.519     0    0.636   1.593     9.904   55.833   29.714
LGA    T    13_A      T    13_A     3.262     0    0.045   0.288     4.774   53.810   46.735
LGA    T    14_A      T    14_A     2.095     0    0.100   1.032     3.962   66.905   62.993
LGA    L    15_A      L    15_A     1.437     0    0.071   0.147     2.516   69.048   78.690
LGA    C    16_A      C    16_A     2.868     0    0.046   0.709     4.266   64.881   56.667
LGA    W    17_A      W    17_A     2.027     0    0.056   0.440     3.586   57.500   76.054
LGA    G    18_A      G    18_A     2.760     0    0.033   0.033     2.852   59.048   59.048
LGA    S    19_A      S    19_A     3.646     0    0.037   0.605     4.247   50.119   47.937
LGA    T    20_A      T    20_A     2.817     0    0.048   0.071     4.454   46.905   54.626
LGA    K    21_A      K    21_A     4.228     0    0.074   0.952     5.646   40.357   31.429
LGA    L    22_A      L    22_A     4.483     0    0.087   0.152     6.007   29.405   33.333
LGA    R    23_A      R    23_A     6.465     0    0.031   0.660     8.396   16.429   10.390
LGA    T    24_A      T    24_A     5.278     0    0.062   1.292     5.467   31.786   30.136
LGA    D    25_A      D    25_A     4.537     0    0.085   0.508     7.473   34.524   25.000
LGA    V    26_A      V    26_A     2.026     0    0.034   1.259     3.308   62.857   65.102
LGA    R    27_A      R    27_A     2.101     0    0.032   0.536     5.951   70.833   51.126
LGA    K    28_A      K    28_A     1.838     0    0.016   1.124     3.015   70.833   67.725
LGA    S    29_A      S    29_A     1.844     0    0.057   0.505     2.443   72.857   71.508
LGA    M    30_A      M    30_A     1.860     0    0.023   1.128     7.461   72.857   56.607
LGA    Q    31_A      Q    31_A     1.782     0    0.040   0.506     5.231   70.833   52.698
LGA    V    32_A      V    32_A     1.853     0    0.075   1.022     3.562   77.143   69.932
LGA    K    33_A      K    33_A     2.414     0    0.040   1.294     6.453   55.714   41.323
LGA    N    34_A      N    34_A     3.809     0    0.107   0.451     8.107   62.143   41.548
LGA    T    35_A      T    35_A     3.940     0    0.540   0.467     6.865   46.905   33.673
LGA    A    36_A      A    36_A     2.623     0    0.031   0.031     3.321   61.190   60.381
LGA    D    37_A      D    37_A     1.479     0    0.034   0.832     5.894   72.976   53.869
LGA    K    38_A      K    38_A     2.577     0    0.024   0.864     8.069   64.881   43.439
LGA    R    39_A      R    39_A     2.962     0    0.128   0.928     9.668   57.143   30.476
LGA    L    40_A      L    40_A     3.438     0    0.022   0.836     6.503   50.000   37.857
LGA    V    41_A      V    41_A     3.113     0    0.112   0.121     3.234   50.000   51.020
LGA    I    42_A      I    42_A     2.969     0    0.090   0.786     6.225   53.571   46.845
LGA    R    43_A      R    43_A     2.620     0    0.013   1.225     6.441   57.143   49.221
LGA    L    44_A      L    44_A     2.590     0    0.019   0.733     4.923   57.143   51.310
LGA    G    45_A      G    45_A     3.064     0    0.088   0.088     3.064   55.357   55.357
LGA    I    46_A      I    46_A     3.150     0    0.036   1.251     5.064   45.119   42.321
LGA    Q    47_A      Q    47_A     4.446     0    0.080   0.953     7.263   37.262   29.312
LGA    G    48_A      G    48_A     6.279     0    0.259   0.259     6.532   19.524   19.524
LGA    P    49_A      P    49_A     8.561     0    0.021   0.057    11.126    4.881    2.857
LGA    G    50_A      G    50_A     5.868     0    0.283   0.283     6.818   25.833   25.833
LGA    F    51_A      F    51_A     2.738     0    0.013   1.404     7.170   72.738   41.732
LGA    Q    52_A      Q    52_A     2.036     0    0.166   1.005    10.319   82.024   44.339
LGA    L    53_A      L    53_A     2.477     0    0.303   1.341     5.891   59.167   48.571
LGA    V    54_A      V    54_A     1.966     0    0.090   1.043     3.652   68.929   59.864
LGA    G    55_A      G    55_A     2.206     0    0.664   0.664     2.206   68.810   68.810
LGA    T    56_A      T    56_A     4.037     0    0.304   1.113     6.997   31.667   26.803
LGA    D    57_A      D    57_A     7.839     0    0.590   0.737    10.449   12.143    6.369
LGA    S    58_A      S    58_A     6.914     0    0.088   0.587     7.341   10.833   13.810
LGA    S    59_A      S    59_A     7.363     0    0.328   0.467     8.474   14.524   11.270
LGA    T    60_A      T    60_A     2.937     0    0.614   1.123     5.327   42.500   53.333
LGA    I    61_A      I    61_A     5.151     0    0.187   1.114     7.482   34.524   26.071
LGA    T    62_A      T    62_A     4.555     0    0.249   0.311     5.181   31.548   32.313
LGA    L    63_A      L    63_A     3.237     0    0.207   0.886     4.835   51.905   44.583
LGA    Q    64_A      Q    64_A     4.181     0    0.045   1.104     7.154   45.357   35.556
LGA    A    65_A      A    65_A     5.929     0    0.614   0.571     7.559   22.738   19.619
LGA    M    66_A      M    66_A     2.476     0    0.174   1.101     6.542   57.262   46.607
LGA    E    67_A      E    67_A     2.862     0    0.197   0.956     3.383   65.119   60.053
LGA    C    68_A      C    68_A     3.170     0    0.018   0.790     6.416   42.024   37.063
LGA    R    69_A      R    69_A     3.739     0    0.102   1.561     9.600   55.595   31.082
LGA    S    70_A      S    70_A     2.634     0    0.072   0.708     4.335   53.571   51.429
LGA    V    71_A      V    71_A     2.357     0    0.092   1.054     4.415   66.786   64.558
LGA    V    72_A      V    72_A     1.918     0    0.045   0.144     2.315   66.786   71.837
LGA    I    73_A      I    73_A     2.376     0    0.047   0.544     2.594   64.762   61.905
LGA    N    74_A      N    74_A     2.463     0    0.075   0.587     3.417   59.167   68.512
LGA    F    75_A      F    75_A     2.730     0    0.073   0.875     2.907   57.143   66.494
LGA    C    76_A      C    76_A     3.647     0    0.181   0.815     4.752   42.024   46.349
LGA    P    77_A      P    77_A     2.886     0    0.079   0.096     3.665   50.238   59.932
LGA    T    78_A      T    78_A     4.951     0    0.090   0.169     6.154   30.357   25.918
LGA    V    79_A      V    79_A     3.794     0    0.043   1.200     6.761   56.071   44.626
LGA    C    80_A      C    80_A     1.295     0    0.133   0.869     4.024   79.524   70.000
LGA    G    81_A      G    81_A     3.098     0    0.025   0.025     3.098   63.214   63.214
LGA    A    82_A      A    82_A     3.842     0    0.247   0.284     4.564   46.667   43.619
LGA    A    83_A      A    83_A     3.157     0    0.038   0.035     3.717   51.786   50.095
LGA    I    84_A      I    84_A     2.826     0    0.063   1.116     3.932   59.048   52.917
LGA    G    85_A      G    85_A     2.609     0    0.013   0.013     2.813   60.952   60.952
LGA    A    86_A      A    86_A     1.341     0    0.021   0.022     1.830   79.286   79.714
LGA    L    87_A      L    87_A     1.362     0    0.108   0.108     2.669   79.286   72.083
LGA    S    88_A      S    88_A     1.397     0    0.084   0.174     1.422   81.429   81.429
LGA    F    89_A      F    89_A     1.993     0    0.122   0.582     4.726   70.833   56.883
LGA    Y    90_A      Y    90_A     1.743     0    0.066   1.235    10.784   66.905   37.897
LGA    A    91_A      A    91_A     2.637     0    0.023   0.026     2.866   62.857   61.714
LGA    P    92_A      P    92_A     3.574     0    0.135   0.347     5.253   50.119   42.993
LGA    P    93_A      P    93_A     4.910     0    0.597   0.585     7.083   31.429   24.898
LGA    G    94_A      G    94_A     5.384     0    0.540   0.540     5.606   33.690   33.690
LGA    A    95_A      A    95_A     5.514     0    0.472   0.496     9.129   13.571   12.857
LGA    H    96_A      H    96_A     9.208     0    0.181   1.468    10.020    3.690    1.714
LGA    N    97_A      N    97_A    13.273     0    0.458   1.223    16.732    0.000    0.000
LGA    S    98_A      S    98_A    10.135     0    0.229   0.716    11.225    0.000    3.333
LGA    N    99_A      N    99_A    13.946     0    0.536   0.888    19.956    0.000    0.000
LGA    Q   100_A      Q   100_A     8.316     0    0.354   1.333    11.783    6.190    4.074
LGA    P   101_A      P   101_A     5.757     0    0.136   0.184     8.504   37.381   23.878
LGA    G   102_A      G   102_A     2.415     0    0.351   0.351     5.016   53.452   53.452
LGA    L   103_A      L   103_A     2.109     0    0.039   1.324     6.128   72.976   60.238
LGA    E   104_A      E   104_A     1.406     0    0.035   0.518     2.880   77.143   74.921
LGA    I   105_A      I   105_A     0.685     0    0.043   0.061     1.358   90.476   88.214
LGA    P   106_A      P   106_A     0.710     0    0.148   0.173     1.272   97.619   91.973
LGA    L   107_A      L   107_A     0.245     0    0.212   1.298     3.325   95.357   84.524
LGA    Y   108_A      Y   108_A     0.446     0    0.009   1.368     9.669   97.619   57.500
LGA    G   109_A      G   109_A     0.783     0    0.208   0.208     2.746   77.738   77.738
LGA    Y   110_A      Y   110_A     1.662     0    0.212   1.062     9.494   83.810   43.730
LGA    G   111_A      G   111_A     1.228     0    0.083   0.083     1.939   81.786   81.786
LGA    G   112_A      G   112_A     3.263     0    0.136   0.136     4.100   48.571   48.571
LGA    S   113_A      S   113_A     5.507     0    0.196   0.541     9.575   33.333   23.095

# 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):     4.881          4.792                  5.533           49.165   43.511

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  109  112    4.0     78    2.61    51.786    46.293     2.875

LGA_LOCAL      RMSD:   2.613  Number of atoms:   78  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   5.277  Number of assigned atoms:  109 
Std_ASGN_ATOMS RMSD:   4.881  Standard rmsd on all 109 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.309909 * X  +   0.259674 * Y  +  -0.914618 * Z  + -24.596994
  Y_new =   0.785173 * X  +  -0.612377 * Y  +   0.092184 * Z  + -20.486509
  Z_new =  -0.536153 * X  +  -0.746702 * Y  +  -0.393670 * Z  + -34.103012 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.194866  0.565874 -2.055976   [DEG:   68.4608   32.4222 -117.7987 ]
ZXZ: -1.671247  1.975417 -2.518869   [DEG:  -95.7554  113.1831 -144.3206 ]
 
# END of job
