
#######################################################
#                                                     #
#                        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:   108       6_A - 113_A       4.72     5.09
  LCS_AVERAGE:     96.28

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    23      10_A - 32_A        1.92     7.06
  LONGEST_CONTINUOUS_SEGMENT:    23      11_A - 33_A        1.84     7.16
  LCS_AVERAGE:     15.22

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    14      66_A - 79_A        0.98     7.29
  LCS_AVERAGE:      8.51

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   90      3    3    4    4    5    7   11   15   18   20   25   28   30   33   38   40   46   50   52   58 
LCS_GDT     L     6_A     L     6_A      3    8  108      3    3    4    6    6    7   10   13   18   20   21   28   30   33   43   44   66   75   77   80 
LCS_GDT     P     7_A     P     7_A      7    8  108      5    6    7    7    8    8   10   13   17   25   33   41   58   77   84   90  103  106  107  107 
LCS_GDT     L     8_A     L     8_A      7    8  108      5    6    7    7    8   11   19   30   43   52   70   77   89   99  101  103  104  106  107  107 
LCS_GDT     K     9_A     K     9_A      7    8  108      5    6    7   10   20   33   51   64   75   86   91   95   98  100  101  103  104  106  107  107 
LCS_GDT     V    10_A     V    10_A      7   23  108      5    6   11   24   39   58   69   78   83   88   91   95   98  100  101  103  104  106  107  107 
LCS_GDT     T    11_A     T    11_A      7   23  108      5   12   20   34   44   58   69   78   83   88   91   95   98  100  101  103  104  106  107  107 
LCS_GDT     H    12_A     H    12_A     11   23  108      7   17   22   30   40   54   67   78   83   88   91   95   98  100  101  103  104  106  107  107 
LCS_GDT     T    13_A     T    13_A     11   23  108      6   14   22   30   40   54   69   78   83   88   91   95   98  100  101  103  104  106  107  107 
LCS_GDT     T    14_A     T    14_A     11   23  108      7   14   22   34   44   58   69   78   83   88   91   95   98  100  101  103  104  106  107  107 
LCS_GDT     L    15_A     L    15_A     11   23  108      7   14   22   34   44   58   69   78   83   88   91   95   98  100  101  103  104  106  107  107 
LCS_GDT     C    16_A     C    16_A     11   23  108      7   14   22   29   44   58   69   78   83   88   91   95   98  100  101  103  104  106  107  107 
LCS_GDT     W    17_A     W    17_A     13   23  108      7   14   22   34   44   58   69   78   83   88   91   95   98  100  101  103  104  106  107  107 
LCS_GDT     G    18_A     G    18_A     13   23  108      4   14   22   34   44   58   69   78   83   88   91   95   98  100  101  103  104  106  107  107 
LCS_GDT     S    19_A     S    19_A     13   23  108      4   14   22   34   44   54   69   78   83   88   91   95   98  100  101  103  104  106  107  107 
LCS_GDT     T    20_A     T    20_A     13   23  108      4   17   22   34   44   58   69   78   83   88   91   95   98  100  101  103  104  106  107  107 
LCS_GDT     K    21_A     K    21_A     13   23  108      6   17   22   34   43   54   65   78   83   88   91   95   98  100  101  103  104  106  107  107 
LCS_GDT     L    22_A     L    22_A     13   23  108      6   17   22   34   43   54   64   78   83   88   91   95   98  100  101  103  104  106  107  107 
LCS_GDT     R    23_A     R    23_A     13   23  108      4   15   21   30   36   42   53   63   75   85   89   94   97  100  101  103  104  106  107  107 
LCS_GDT     T    24_A     T    24_A     13   23  108      6   17   22   30   40   51   64   75   83   88   91   95   98  100  101  103  104  106  107  107 
LCS_GDT     D    25_A     D    25_A     13   23  108      6   17   22   30   43   52   64   78   83   88   91   95   98  100  101  103  104  106  107  107 
LCS_GDT     V    26_A     V    26_A     13   23  108      7   17   22   34   44   58   69   78   83   88   91   95   98  100  101  103  104  106  107  107 
LCS_GDT     R    27_A     R    27_A     13   23  108      6   17   22   34   44   58   69   78   83   88   91   95   98  100  101  103  104  106  107  107 
LCS_GDT     K    28_A     K    28_A     13   23  108      6   17   22   34   44   58   69   78   83   88   91   95   98  100  101  103  104  106  107  107 
LCS_GDT     S    29_A     S    29_A     13   23  108      6   17   22   34   44   58   69   78   83   88   91   95   98  100  101  103  104  106  107  107 
LCS_GDT     M    30_A     M    30_A     12   23  108      6   13   21   34   44   58   69   78   83   88   91   95   98  100  101  103  104  106  107  107 
LCS_GDT     Q    31_A     Q    31_A     12   23  108      6   13   21   34   44   58   69   78   83   88   91   95   98  100  101  103  104  106  107  107 
LCS_GDT     V    32_A     V    32_A      8   23  108      6   10   15   28   44   58   69   78   83   88   91   95   98  100  101  103  104  106  107  107 
LCS_GDT     K    33_A     K    33_A      8   23  108      4    9   15   28   44   58   69   78   83   88   91   95   98  100  101  103  104  106  107  107 
LCS_GDT     N    34_A     N    34_A      8   20  108      3    9   13   24   41   56   66   77   83   88   91   95   98  100  101  103  104  106  107  107 
LCS_GDT     T    35_A     T    35_A      8   20  108      3    8   15   21   38   51   66   76   83   88   91   95   98  100  101  103  104  106  107  107 
LCS_GDT     A    36_A     A    36_A     13   20  108      4    9   15   28   42   58   69   78   83   88   91   95   98  100  101  103  104  106  107  107 
LCS_GDT     D    37_A     D    37_A     13   20  108      5   10   16   28   44   58   69   78   83   88   91   95   98  100  101  103  104  106  107  107 
LCS_GDT     K    38_A     K    38_A     13   20  108      4   11   17   28   42   58   69   78   83   88   91   95   98  100  101  103  104  106  107  107 
LCS_GDT     R    39_A     R    39_A     13   20  108      4   10   19   26   41   58   69   78   83   88   91   95   98  100  101  103  104  106  107  107 
LCS_GDT     L    40_A     L    40_A     13   20  108      5    6   19   26   35   53   69   78   83   88   91   95   98  100  101  103  104  106  107  107 
LCS_GDT     V    41_A     V    41_A     13   20  108      5   10   19   26   41   58   69   78   83   88   91   95   98  100  101  103  104  106  107  107 
LCS_GDT     I    42_A     I    42_A     13   20  108      5   10   19   26   41   58   69   78   83   88   91   95   98  100  101  103  104  106  107  107 
LCS_GDT     R    43_A     R    43_A     13   20  108      5   10   19   28   42   58   69   78   83   88   91   95   98  100  101  103  104  106  107  107 
LCS_GDT     L    44_A     L    44_A     13   20  108      5   10   19   28   42   58   69   78   83   88   91   95   98  100  101  103  104  106  107  107 
LCS_GDT     G    45_A     G    45_A     13   20  108      3   10   15   28   41   58   69   78   83   88   91   95   98  100  101  103  104  106  107  107 
LCS_GDT     I    46_A     I    46_A     13   20  108      3   10   17   28   41   58   69   78   83   88   91   95   98  100  101  103  104  106  107  107 
LCS_GDT     Q    47_A     Q    47_A     13   20  108      3   10   15   28   38   56   66   78   83   88   91   95   98  100  101  103  104  106  107  107 
LCS_GDT     G    48_A     G    48_A     13   20  108      4   10   15   20   31   45   59   70   79   88   90   95   98  100  101  103  104  106  107  107 
LCS_GDT     P    49_A     P    49_A     13   20  108      4    4   14   20   23   35   45   59   70   76   85   90   96  100  101  103  104  106  107  107 
LCS_GDT     G    50_A     G    50_A      8   20  108      4   10   15   24   34   47   59   70   79   88   91   95   98  100  101  103  104  106  107  107 
LCS_GDT     F    51_A     F    51_A      5   18  108      4    4   11   28   42   58   69   78   83   88   91   95   98  100  101  103  104  106  107  107 
LCS_GDT     Q    52_A     Q    52_A      4   15  108      3    4   13   30   44   58   69   78   83   88   91   95   98  100  101  103  104  106  107  107 
LCS_GDT     L    53_A     L    53_A      4   15  108      3    4   11   24   44   58   69   78   83   88   91   95   98  100  101  103  104  106  107  107 
LCS_GDT     V    54_A     V    54_A      4    8  108      3   11   18   34   44   58   69   78   83   88   91   95   98  100  101  103  104  106  107  107 
LCS_GDT     G    55_A     G    55_A      4    8  108      3    6   11   26   44   58   69   78   83   88   91   95   98  100  101  103  104  106  107  107 
LCS_GDT     T    56_A     T    56_A      4    8  108      3    6   12   24   36   58   68   78   83   88   91   95   98  100  101  103  104  106  107  107 
LCS_GDT     D    57_A     D    57_A      4    8  108      3    4    6    6    9   16   37   49   64   76   84   94   98  100  101  103  104  106  107  107 
LCS_GDT     S    58_A     S    58_A      4    8  108      3    4   11   18   24   34   46   64   74   83   90   95   98  100  101  103  104  106  107  107 
LCS_GDT     S    59_A     S    59_A      4    7  108      3    7   11   16   22   25   38   49   64   80   90   95   98  100  101  103  104  106  107  107 
LCS_GDT     T    60_A     T    60_A      4    6  108      5   10   19   28   41   58   69   78   83   88   91   95   98  100  101  103  104  106  107  107 
LCS_GDT     I    61_A     I    61_A      4    8  108      3    3    5   20   23   37   49   63   78   88   91   95   98  100  101  103  104  106  107  107 
LCS_GDT     T    62_A     T    62_A      5    8  108      3    5    5   20   24   37   54   73   83   88   91   95   98  100  101  103  104  106  107  107 
LCS_GDT     L    63_A     L    63_A      5   18  108      3    5   14   20   33   58   69   78   83   88   91   95   98  100  101  103  104  106  107  107 
LCS_GDT     Q    64_A     Q    64_A      5   18  108      6    9   15   21   26   51   66   75   83   88   91   95   98  100  101  103  104  106  107  107 
LCS_GDT     A    65_A     A    65_A      5   18  108      3    5    5   11   24   25   33   48   66   87   90   94   98  100  101  103  104  106  107  107 
LCS_GDT     M    66_A     M    66_A     14   21  108      5   13   20   34   44   58   69   78   83   88   91   95   98  100  101  103  104  106  107  107 
LCS_GDT     E    67_A     E    67_A     14   21  108      6   13   20   34   44   58   69   78   83   88   91   95   98  100  101  103  104  106  107  107 
LCS_GDT     C    68_A     C    68_A     14   21  108      6   13   20   34   43   54   69   78   83   88   91   95   98  100  101  103  104  106  107  107 
LCS_GDT     R    69_A     R    69_A     14   21  108      6   11   16   24   38   54   69   78   83   88   91   95   98  100  101  103  104  106  107  107 
LCS_GDT     S    70_A     S    70_A     14   21  108      4   13   21   34   44   58   69   78   83   88   91   95   98  100  101  103  104  106  107  107 
LCS_GDT     V    71_A     V    71_A     14   21  108      6   13   20   34   44   58   69   78   83   88   91   95   98  100  101  103  104  106  107  107 
LCS_GDT     V    72_A     V    72_A     14   21  108      7   13   22   34   44   58   69   78   83   88   91   95   98  100  101  103  104  106  107  107 
LCS_GDT     I    73_A     I    73_A     14   21  108      7   13   22   34   44   58   69   78   83   88   91   95   98  100  101  103  104  106  107  107 
LCS_GDT     N    74_A     N    74_A     14   21  108      7   17   22   34   44   58   69   78   83   88   91   95   98  100  101  103  104  106  107  107 
LCS_GDT     F    75_A     F    75_A     14   21  108      7   17   21   34   44   58   69   78   83   88   91   95   98  100  101  103  104  106  107  107 
LCS_GDT     C    76_A     C    76_A     14   21  108      7   17   21   34   43   54   68   78   83   88   91   95   98  100  101  103  104  106  107  107 
LCS_GDT     P    77_A     P    77_A     14   21  108      4   15   21   34   44   57   69   78   83   88   91   95   98  100  101  103  104  106  107  107 
LCS_GDT     T    78_A     T    78_A     14   21  108      5   15   21   30   36   51   59   75   82   87   91   95   98  100  101  103  104  106  107  107 
LCS_GDT     V    79_A     V    79_A     14   21  108      7   15   21   30   43   54   65   78   83   88   91   95   98  100  101  103  104  106  107  107 
LCS_GDT     C    80_A     C    80_A     11   21  108      6   17   21   34   44   58   69   78   83   88   91   95   98  100  101  103  104  106  107  107 
LCS_GDT     G    81_A     G    81_A      9   21  108      4   11   17   28   42   58   69   78   83   88   91   95   98  100  101  103  104  106  107  107 
LCS_GDT     A    82_A     A    82_A      9   21  108      4   13   21   28   41   56   68   78   83   88   91   95   98  100  101  103  104  106  107  107 
LCS_GDT     A    83_A     A    83_A      6   21  108      3   11   21   28   42   58   69   78   83   88   91   95   98  100  101  103  104  106  107  107 
LCS_GDT     I    84_A     I    84_A      9   21  108      5   17   21   30   42   58   69   78   83   88   91   95   98  100  101  103  104  106  107  107 
LCS_GDT     G    85_A     G    85_A      9   21  108      5    9   19   30   42   58   69   78   83   88   91   95   98  100  101  103  104  106  107  107 
LCS_GDT     A    86_A     A    86_A      9   21  108      4   13   22   34   44   58   69   78   83   88   91   95   98  100  101  103  104  106  107  107 
LCS_GDT     L    87_A     L    87_A      9   14  108      5   11   19   33   44   58   69   78   83   88   91   95   98  100  101  103  104  106  107  107 
LCS_GDT     S    88_A     S    88_A      9   14  108      5   11   19   34   44   58   69   78   83   88   91   95   98  100  101  103  104  106  107  107 
LCS_GDT     F    89_A     F    89_A      9   14  108      5   11   19   30   44   58   69   78   83   88   91   95   98  100  101  103  104  106  107  107 
LCS_GDT     Y    90_A     Y    90_A      9   14  108      4   11   19   30   44   58   69   78   83   88   91   95   98  100  101  103  104  106  107  107 
LCS_GDT     A    91_A     A    91_A      9   14  108      4   11   19   27   44   58   69   78   83   88   91   95   98  100  101  103  104  106  107  107 
LCS_GDT     P    92_A     P    92_A      9   14  108      4   10   14   25   41   56   68   76   83   88   91   95   98  100  101  103  104  106  107  107 
LCS_GDT     P    93_A     P    93_A      7   14  108      3    6   11   24   37   51   63   72   80   86   91   95   98  100  101  103  104  106  107  107 
LCS_GDT     G    94_A     G    94_A      6   14  108      3    4   11   24   34   48   62   71   79   86   91   95   98  100  101  103  104  106  107  107 
LCS_GDT     A    95_A     A    95_A      5   10  108      3    4    5    5   15   38   51   61   76   85   91   95   98  100  101  103  104  106  107  107 
LCS_GDT     H    96_A     H    96_A      4    8  108      3    4    4    8   14   20   32   38   43   61   75   84   88   93  100  103  104  106  107  107 
LCS_GDT     N    97_A     N    97_A      4    8  108      3    4    6    8   11   13   26   31   37   53   63   74   85   92   98  101  104  106  107  107 
LCS_GDT     S    98_A     S    98_A      4    8  108      3    4    6    8   15   22   39   46   59   78   85   91   97   99  101  103  104  106  107  107 
LCS_GDT     N    99_A     N    99_A      4    8  108      3    4    4    6    9   16   22   23   32   41   55   70   85   92   98   99  104  105  107  107 
LCS_GDT     Q   100_A     Q   100_A      4    8  108      3    4    4    8   11   32   41   58   70   82   90   94   97  100  101  103  104  106  107  107 
LCS_GDT     P   101_A     P   101_A      4   11  108      3    4    6    8   26   38   51   62   79   86   91   95   98  100  101  103  104  106  107  107 
LCS_GDT     G   102_A     G   102_A     10   12  108      4   14   19   34   44   58   69   78   83   88   91   95   98  100  101  103  104  106  107  107 
LCS_GDT     L   103_A     L   103_A     10   12  108      4   14   18   34   44   58   69   78   83   88   91   95   98  100  101  103  104  106  107  107 
LCS_GDT     E   104_A     E   104_A     10   12  108      7   14   21   34   44   58   69   78   83   88   91   95   98  100  101  103  104  106  107  107 
LCS_GDT     I   105_A     I   105_A     10   12  108      7   14   21   34   44   58   69   78   83   88   91   95   98  100  101  103  104  106  107  107 
LCS_GDT     P   106_A     P   106_A     10   12  108      5   11   21   34   44   58   69   78   83   88   91   95   98  100  101  103  104  106  107  107 
LCS_GDT     L   107_A     L   107_A     10   12  108      5   13   22   34   44   58   69   78   83   88   91   95   98  100  101  103  104  106  107  107 
LCS_GDT     Y   108_A     Y   108_A     10   12  108      5   13   19   34   44   58   69   78   83   88   91   95   98  100  101  103  104  106  107  107 
LCS_GDT     G   109_A     G   109_A     10   12  108      5   17   21   34   44   58   69   78   83   88   91   95   98  100  101  103  104  106  107  107 
LCS_GDT     Y   110_A     Y   110_A     10   12  108      5   15   21   30   42   58   69   78   83   88   91   95   98  100  101  103  104  106  107  107 
LCS_GDT     G   111_A     G   111_A     10   12  108      6   17   21   34   44   58   69   78   83   88   91   95   98  100  101  103  104  106  107  107 
LCS_GDT     G   112_A     G   112_A      6   12  108      6   17   21   34   44   58   69   78   83   88   91   95   98  100  101  103  104  106  107  107 
LCS_GDT     S   113_A     S   113_A      3   12  108      3    4    4   13   26   45   59   76   83   88   91   95   98  100  101  103  104  106  107  107 
LCS_AVERAGE  LCS_A:  40.00  (   8.51   15.22   96.28 )

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     22     34     44     58     69     78     83     88     91     95     98    100    101    103    104    106    107    107 
GDT PERCENT_AT   6.25  15.18  19.64  30.36  39.29  51.79  61.61  69.64  74.11  78.57  81.25  84.82  87.50  89.29  90.18  91.96  92.86  94.64  95.54  95.54
GDT RMS_LOCAL    0.35   0.60   1.03   1.50   1.86   2.23   2.44   2.67   2.80   2.99   3.13   3.34   3.49   3.61   3.72   3.89   4.02   4.33   4.45   4.45
GDT RMS_ALL_AT  10.12   9.97   8.23   6.66   5.92   5.54   5.60   5.73   5.63   5.67   5.47   5.45   5.41   5.38   5.31   5.28   5.22   5.14   5.11   5.11

# Checking swapping
#   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
#   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    24.293     0    0.708   1.265    25.753    0.000    0.000
LGA    L     6_A      L     6_A    20.119     0    0.384   1.189    24.192    0.000    0.000
LGA    P     7_A      P     7_A    14.976     0    0.314   0.301    19.640    0.000    0.000
LGA    L     8_A      L     8_A    10.910     0    0.051   0.974    12.208    1.548    0.774
LGA    K     9_A      K     9_A     7.049     0    0.033   0.816     8.825   12.857    9.259
LGA    V    10_A      V    10_A     3.470     0    0.029   0.295     4.548   50.833   48.639
LGA    T    11_A      T    11_A     1.544     0    0.043   1.258     3.310   67.143   65.102
LGA    H    12_A      H    12_A     3.752     0    0.641   1.585     9.988   53.810   28.238
LGA    T    13_A      T    13_A     3.460     0    0.090   0.295     5.153   53.810   45.102
LGA    T    14_A      T    14_A     2.195     0    0.097   0.136     3.713   64.881   59.592
LGA    L    15_A      L    15_A     1.522     0    0.071   0.121     2.602   66.905   76.429
LGA    C    16_A      C    16_A     2.879     0    0.044   0.642     4.176   62.857   55.317
LGA    W    17_A      W    17_A     1.986     0    0.052   0.530     3.526   59.524   75.374
LGA    G    18_A      G    18_A     2.625     0    0.024   0.024     2.650   62.976   62.976
LGA    S    19_A      S    19_A     3.223     0    0.052   0.626     3.722   55.476   53.730
LGA    T    20_A      T    20_A     2.394     0    0.044   0.082     3.963   53.810   59.796
LGA    K    21_A      K    21_A     3.691     0    0.082   0.930     5.179   46.786   37.090
LGA    L    22_A      L    22_A     4.087     0    0.103   0.183     5.492   34.524   38.214
LGA    R    23_A      R    23_A     6.020     0    0.020   0.780    10.651   19.524   11.818
LGA    T    24_A      T    24_A     4.514     0    0.104   0.748     4.796   39.048   37.415
LGA    D    25_A      D    25_A     3.893     0    0.027   0.676     6.737   45.119   33.512
LGA    V    26_A      V    26_A     1.996     0    0.045   1.202     3.167   64.881   66.259
LGA    R    27_A      R    27_A     2.232     0    0.072   0.468     6.747   66.786   45.628
LGA    K    28_A      K    28_A     1.989     0    0.048   1.247     3.045   66.786   65.926
LGA    S    29_A      S    29_A     2.271     0    0.019   0.236     2.602   64.762   63.492
LGA    M    30_A      M    30_A     2.390     0    0.051   1.040     7.041   66.786   51.667
LGA    Q    31_A      Q    31_A     1.991     0    0.053   0.975     3.839   66.905   56.032
LGA    V    32_A      V    32_A     2.113     0    0.053   1.183     4.502   73.095   64.762
LGA    K    33_A      K    33_A     2.914     0    0.034   1.284     7.128   47.262   32.698
LGA    N    34_A      N    34_A     4.291     0    0.117   0.452     8.475   52.976   35.179
LGA    T    35_A      T    35_A     4.571     0    0.524   0.454     7.628   39.048   26.667
LGA    A    36_A      A    36_A     3.162     0    0.038   0.053     3.822   55.714   54.571
LGA    D    37_A      D    37_A     2.045     0    0.069   0.866     6.645   62.857   46.190
LGA    K    38_A      K    38_A     3.174     0    0.015   0.874     9.016   57.262   36.614
LGA    R    39_A      R    39_A     3.336     0    0.161   0.950    10.014   50.000   26.580
LGA    L    40_A      L    40_A     3.633     0    0.027   0.883     6.725   43.333   33.929
LGA    V    41_A      V    41_A     3.295     0    0.085   0.090     3.414   50.000   50.000
LGA    I    42_A      I    42_A     3.152     0    0.109   0.774     6.024   50.000   45.060
LGA    R    43_A      R    43_A     2.694     0    0.050   1.241     6.008   57.143   51.039
LGA    L    44_A      L    44_A     2.675     0    0.023   0.682     5.116   55.357   48.869
LGA    G    45_A      G    45_A     3.114     0    0.069   0.069     3.114   55.357   55.357
LGA    I    46_A      I    46_A     3.063     0    0.050   1.247     4.875   46.667   43.750
LGA    Q    47_A      Q    47_A     4.150     0    0.077   0.863     6.255   37.262   34.127
LGA    G    48_A      G    48_A     6.011     0    0.235   0.235     6.378   21.667   21.667
LGA    P    49_A      P    49_A     8.531     0    0.032   0.037    11.064    5.476    3.197
LGA    G    50_A      G    50_A     5.809     0    0.289   0.289     6.745   27.262   27.262
LGA    F    51_A      F    51_A     2.552     0    0.009   1.200     7.933   72.738   43.333
LGA    Q    52_A      Q    52_A     2.176     0    0.177   1.013    10.369   82.024   43.439
LGA    L    53_A      L    53_A     2.575     0    0.321   1.277     6.324   55.595   43.929
LGA    V    54_A      V    54_A     2.160     0    0.115   1.057     3.884   68.810   58.844
LGA    G    55_A      G    55_A     2.203     0    0.667   0.667     2.203   70.833   70.833
LGA    T    56_A      T    56_A     3.940     0    0.333   1.383     7.076   32.381   27.211
LGA    D    57_A      D    57_A     7.785     0    0.598   0.665    10.100   12.143    6.607
LGA    S    58_A      S    58_A     7.187     0    0.171   0.652     7.922    8.571   11.746
LGA    S    59_A      S    59_A     7.785     0    0.349   0.468     8.737   11.071    8.333
LGA    T    60_A      T    60_A     3.327     0    0.631   1.256     5.705   36.429   53.333
LGA    I    61_A      I    61_A     4.926     0    0.157   0.206     7.450   38.810   27.083
LGA    T    62_A      T    62_A     4.376     0    0.229   0.265     4.846   34.286   34.694
LGA    L    63_A      L    63_A     3.131     0    0.186   0.889     4.402   53.571   48.512
LGA    Q    64_A      Q    64_A     4.332     0    0.050   1.192     7.358   43.571   32.963
LGA    A    65_A      A    65_A     5.876     0    0.616   0.570     7.543   24.048   20.667
LGA    M    66_A      M    66_A     2.254     0    0.177   1.130     6.360   60.952   48.929
LGA    E    67_A      E    67_A     2.782     0    0.209   1.028     3.756   65.119   58.413
LGA    C    68_A      C    68_A     3.440     0    0.034   0.718     7.593   42.024   35.397
LGA    R    69_A      R    69_A     3.557     0    0.059   1.595     8.298   57.619   35.498
LGA    S    70_A      S    70_A     2.800     0    0.049   0.216     3.465   53.571   52.381
LGA    V    71_A      V    71_A     2.346     0    0.086   1.071     4.392   66.786   63.265
LGA    V    72_A      V    72_A     1.892     0    0.037   0.102     2.278   66.786   71.837
LGA    I    73_A      I    73_A     2.358     0    0.037   0.439     2.470   64.762   64.762
LGA    N    74_A      N    74_A     2.445     0    0.096   0.956     3.363   59.167   61.071
LGA    F    75_A      F    75_A     2.621     0    0.067   0.854     2.744   57.143   66.494
LGA    C    76_A      C    76_A     3.311     0    0.201   0.812     4.455   46.786   51.984
LGA    P    77_A      P    77_A     2.781     0    0.078   0.091     3.427   53.571   63.061
LGA    T    78_A      T    78_A     4.842     0    0.100   0.170     6.177   30.357   25.918
LGA    V    79_A      V    79_A     3.951     0    0.034   1.189     7.115   50.595   39.388
LGA    C    80_A      C    80_A     1.168     0    0.156   0.860     3.680   77.262   70.873
LGA    G    81_A      G    81_A     3.555     0    0.046   0.046     3.555   57.738   57.738
LGA    A    82_A      A    82_A     4.033     0    0.242   0.281     4.774   40.238   38.476
LGA    A    83_A      A    83_A     3.120     0    0.043   0.045     3.722   51.786   50.095
LGA    I    84_A      I    84_A     2.766     0    0.067   1.090     3.869   59.048   52.917
LGA    G    85_A      G    85_A     2.430     0    0.027   0.027     2.621   66.905   66.905
LGA    A    86_A      A    86_A     1.087     0    0.027   0.029     1.611   79.286   81.524
LGA    L    87_A      L    87_A     1.467     0    0.074   0.236     2.818   77.143   71.012
LGA    S    88_A      S    88_A     1.515     0    0.061   0.138     1.564   77.143   78.571
LGA    F    89_A      F    89_A     2.041     0    0.096   0.593     4.931   68.810   55.628
LGA    Y    90_A      Y    90_A     1.829     0    0.028   1.222    10.860   66.905   37.897
LGA    A    91_A      A    91_A     2.715     0    0.018   0.022     3.017   57.262   57.238
LGA    P    92_A      P    92_A     4.437     0    0.108   0.309     5.439   37.262   34.082
LGA    P    93_A      P    93_A     6.058     0    0.586   0.515     8.243   18.214   14.422
LGA    G    94_A      G    94_A     7.174     0    0.592   0.592     7.174   14.524   14.524
LGA    A    95_A      A    95_A     7.933     0    0.114   0.117    11.522    3.571    3.810
LGA    H    96_A      H    96_A    13.665     0    0.633   1.362    19.242    0.000    0.000
LGA    N    97_A      N    97_A    15.548     0    0.400   1.132    16.937    0.000    0.000
LGA    S    98_A      S    98_A    11.634     0    0.525   0.853    12.846    0.000    0.714
LGA    N    99_A      N    99_A    14.863     0    0.554   0.692    20.483    0.000    0.000
LGA    Q   100_A      Q   100_A     9.145     0    0.380   1.394    13.283    2.738    1.746
LGA    P   101_A      P   101_A     6.398     0    0.167   0.230     8.943   31.190   19.660
LGA    G   102_A      G   102_A     1.909     0    0.347   0.347     4.389   57.976   57.976
LGA    L   103_A      L   103_A     1.885     0    0.029   1.341     5.746   75.000   63.631
LGA    E   104_A      E   104_A     1.329     0    0.063   0.443     2.167   77.143   78.677
LGA    I   105_A      I   105_A     0.560     0    0.058   0.615     2.244   90.476   87.262
LGA    P   106_A      P   106_A     0.796     0    0.118   0.445     2.212   90.476   84.218
LGA    L   107_A      L   107_A     0.341     0    0.201   1.289     3.440   97.619   85.655
LGA    Y   108_A      Y   108_A     0.484     0    0.023   1.334     9.638   97.619   57.500
LGA    G   109_A      G   109_A     0.685     0    0.211   0.211     2.589   79.881   79.881
LGA    Y   110_A      Y   110_A     1.799     0    0.215   0.974     8.913   81.548   43.333
LGA    G   111_A      G   111_A     0.935     0    0.093   0.093     1.622   86.190   86.190
LGA    G   112_A      G   112_A     2.684     0    0.086   0.086     4.156   56.071   56.071
LGA    S   113_A      S   113_A     4.876     0    0.198   0.509     8.790   45.476   31.984

# 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):     5.076          4.983                  5.799           48.024   42.634

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  109  112    4.0     78    2.67    51.786    45.844     2.816

LGA_LOCAL      RMSD:   2.670  Number of atoms:   78  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   5.730  Number of assigned atoms:  109 
Std_ASGN_ATOMS RMSD:   5.076  Standard rmsd on all 109 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.543948 * X  +  -0.556320 * Y  +  -0.628195 * Z  + -17.690714
  Y_new =   0.355853 * X  +   0.830918 * Y  +  -0.427719 * Z  + -24.280617
  Z_new =   0.759927 * X  +   0.009111 * Y  +   0.649944 * Z  + -38.580360 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.579326 -0.863201  0.014018   [DEG:   33.1929  -49.4578    0.8032 ]
ZXZ: -0.973025  0.863285  1.558807   [DEG:  -55.7502   49.4626   89.3131 ]
 
# END of job
