
#######################################################
#                                                     #
#                        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  102 (  810),  selected  102 , name one
# Molecule2: number of CA atoms  132 ( 1072),  selected  102 , 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:   102      14_A - 115_A       2.88     2.88
  LCS_AVERAGE:     77.27

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    63      14_A - 76_A        1.97     3.38
  LCS_AVERAGE:     38.33

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    55      17_A - 71_A        0.99     3.33
  LONGEST_CONTINUOUS_SEGMENT:    55      18_A - 72_A        0.95     3.31
  LONGEST_CONTINUOUS_SEGMENT:    55      19_A - 73_A        0.99     3.35
  LCS_AVERAGE:     31.84

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  102
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     S    14_A     S    14_A     27   63  102      7   27   44   62   78   87   91   92   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     A    15_A     A    15_A     30   63  102      8   27   47   70   84   88   91   92   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     K    16_A     K    16_A     30   63  102      8   17   44   70   84   88   91   92   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     Q    17_A     Q    17_A     55   63  102      8   27   44   68   84   88   91   92   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     D    18_A     D    18_A     55   63  102      7   17   49   72   84   88   91   92   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     F    19_A     F    19_A     55   63  102     13   47   65   72   84   88   91   92   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     A    20_A     A    20_A     55   63  102     10   45   65   72   84   88   91   92   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     E    21_A     E    21_A     55   63  102      8   33   65   72   84   88   91   92   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     G    22_A     G    22_A     55   63  102      8   53   65   72   84   88   91   92   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     V    23_A     V    23_A     55   63  102     15   55   65   72   84   88   91   92   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     K    24_A     K    24_A     55   63  102     15   55   65   72   84   88   91   92   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     L    25_A     L    25_A     55   63  102     11   55   65   72   84   88   91   92   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     W    26_A     W    26_A     55   63  102     10   55   65   72   84   88   91   92   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     Q    27_A     Q    27_A     55   63  102     24   55   65   72   84   88   91   92   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     E    28_A     E    28_A     55   63  102     24   55   65   72   84   88   91   92   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     N    29_A     N    29_A     55   63  102     24   55   65   72   84   88   91   92   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     A    30_A     A    30_A     55   63  102     24   55   65   72   84   88   91   92   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     V    31_A     V    31_A     55   63  102     24   55   65   72   84   88   91   92   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     L    32_A     L    32_A     55   63  102     24   55   65   72   84   88   91   92   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     W    33_A     W    33_A     55   63  102     24   55   65   72   84   88   91   92   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     T    34_A     T    34_A     55   63  102     24   55   65   72   84   88   91   92   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     R    35_A     R    35_A     55   63  102     24   55   65   72   84   88   91   92   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     L    36_A     L    36_A     55   63  102     24   55   65   72   84   88   91   92   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     V    37_A     V    37_A     55   63  102     20   55   65   72   84   88   91   92   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     Q    38_A     Q    38_A     55   63  102     24   55   65   72   84   88   91   92   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     A    39_A     A    39_A     55   63  102     24   55   65   72   84   88   91   92   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     F    40_A     F    40_A     55   63  102     21   55   65   72   84   88   91   92   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     Q    41_A     Q    41_A     55   63  102     20   55   65   72   84   88   91   92   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     S    42_A     S    42_A     55   63  102     24   55   65   72   84   88   91   92   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     G    43_A     G    43_A     55   63  102     24   55   65   72   84   88   91   92   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     D    44_A     D    44_A     55   63  102     24   55   65   72   84   88   91   92   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     Q    45_A     Q    45_A     55   63  102     15   48   65   72   84   88   91   92   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     S    46_A     S    46_A     55   63  102     18   55   65   72   84   88   91   92   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     T    47_A     T    47_A     55   63  102     24   55   65   72   84   88   91   92   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     V    48_A     V    48_A     55   63  102     18   55   65   72   84   88   91   92   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     D    49_A     D    49_A     55   63  102     24   55   65   72   84   88   91   92   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     S    50_A     S    50_A     55   63  102     24   55   65   72   84   88   91   92   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     L    51_A     L    51_A     55   63  102     24   55   65   72   84   88   91   92   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     L    52_A     L    52_A     55   63  102     24   55   65   72   84   88   91   92   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     K    53_A     K    53_A     55   63  102     24   55   65   72   84   88   91   92   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     Q    54_A     Q    54_A     55   63  102     24   55   65   72   84   88   91   92   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     L    55_A     L    55_A     55   63  102     24   55   65   72   84   88   91   92   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     D    56_A     D    56_A     55   63  102     24   55   65   72   84   88   91   92   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     A    57_A     A    57_A     55   63  102     20   55   65   72   84   88   91   92   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     N    58_A     N    58_A     55   63  102     18   55   65   72   84   88   91   92   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     A    59_A     A    59_A     55   63  102     19   55   65   72   84   88   91   92   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     A    60_A     A    60_A     55   63  102     18   55   65   72   84   88   91   92   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     R    61_A     R    61_A     55   63  102     18   55   65   72   84   88   91   92   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     V    62_A     V    62_A     55   63  102     18   55   65   72   84   88   91   92   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     E    63_A     E    63_A     55   63  102     18   55   65   72   84   88   91   92   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     Q    64_A     Q    64_A     55   63  102     18   55   65   72   83   88   91   92   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     L    65_A     L    65_A     55   63  102     11   55   65   72   84   88   91   92   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     L    66_A     L    66_A     55   63  102     11   55   65   72   82   88   91   92   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     Q    67_A     Q    67_A     55   63  102     11   55   65   71   82   88   91   92   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     R    68_A     R    68_A     55   63  102     18   55   65   72   84   88   91   92   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     I    69_A     I    69_A     55   63  102      6   55   65   72   84   88   91   92   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     I    70_A     I    70_A     55   63  102      6   15   60   70   79   88   91   92   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     S    71_A     S    71_A     55   63  102      6   33   64   72   84   88   91   92   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     E    72_A     E    72_A     55   63  102      5   15   37   70   84   88   91   92   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     T    73_A     T    73_A     55   63  102      4   12   24   56   69   75   90   92   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     G    74_A     G    74_A     53   63  102      3   18   44   67   75   88   91   92   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     D    75_A     D    75_A      3   63  102      3    3    4    4    5   12   15   29   41   67   92  100  101  102  102  102  102  102  102  102 
LCS_GDT     E    76_A     E    76_A      3   63  102      3    3    4    4    4    6    7   20   36   50   75   99  101  102  102  102  102  102  102  102 
LCS_GDT     L    77_A     L    77_A      3    4  102      3    3    4    5    5    7   12   18   21   30   46   65   97  102  102  102  102  102  102  102 
LCS_GDT     A    78_A     A    78_A      6    8  102      4    6    6    7    7   12   21   23   35   74   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     R    79_A     R    79_A      6    8  102      4    6    6    7    8   15   22   41   68   93   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     K    80_A     K    80_A      6    8  102      4    6    6    7   13   19   26   70   81   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     G    81_A     G    81_A      6    8  102      3    6    6    7   15   20   31   66   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     E    82_A     E    82_A      6   34  102      4    6    6    7    8   17   22   41   72   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     S    83_A     S    83_A      6   34  102      4    6    6    7   13   19   31   70   89   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     L    84_A     L    84_A      6   34  102      3    4    4   12   26   39   87   92   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     F    85_A     F    85_A     31   34  102      3   12   22   40   63   88   91   92   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     Q    86_A     Q    86_A     31   34  102      7   20   47   69   84   88   91   92   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     R    87_A     R    87_A     31   34  102      7   19   42   62   84   88   91   92   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     N    88_A     N    88_A     31   34  102      9   25   42   62   84   88   91   92   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     Q    89_A     Q    89_A     31   34  102     10   25   43   62   84   88   91   92   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     Q    90_A     Q    90_A     31   34  102     13   25   43   67   84   88   91   92   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     L    91_A     L    91_A     31   34  102     13   24   42   67   84   88   91   92   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     F    92_A     F    92_A     31   34  102     13   22   36   61   84   88   91   92   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     S    93_A     S    93_A     31   34  102     13   25   42   62   84   88   91   92   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     Q    94_A     Q    94_A     31   34  102     13   27   48   72   84   88   91   92   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     L    95_A     L    95_A     31   34  102     13   25   44   71   84   88   91   92   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     K    96_A     K    96_A     31   34  102     13   22   43   67   84   88   91   92   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     T    97_A     T    97_A     31   34  102     13   27   48   72   84   88   91   92   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     L    98_A     L    98_A     31   34  102     13   33   58   72   84   88   91   92   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     F    99_A     F    99_A     31   34  102     13   27   47   72   84   88   91   92   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     S   100_A     S   100_A     31   34  102     12   27   47   72   84   88   91   92   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     Q   101_A     Q   101_A     31   34  102     13   27   47   72   84   88   91   92   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     G   102_A     G   102_A     31   34  102     13   29   65   72   84   88   91   92   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     D   103_A     D   103_A     31   34  102     13   55   65   72   84   88   91   92   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     E   104_A     E   104_A     31   34  102     17   55   65   72   84   88   91   92   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     D   105_A     D   105_A     31   34  102     12   55   65   72   84   88   91   92   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     T   106_A     T   106_A     31   34  102     12   55   65   72   84   88   91   92   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     A   107_A     A   107_A     31   34  102     20   55   65   72   84   88   91   92   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     K   108_A     K   108_A     31   34  102     19   55   65   72   84   88   91   92   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     A   109_A     A   109_A     31   34  102     11   55   65   72   84   88   91   92   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     V   110_A     V   110_A     31   34  102     13   53   65   72   84   88   91   92   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     L   111_A     L   111_A     31   34  102     13   55   65   72   84   88   91   92   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     E   112_A     E   112_A     31   34  102     13   55   65   72   84   88   91   92   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     E   113_A     E   113_A     31   34  102     13   43   65   72   84   88   91   92   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     I   114_A     I   114_A     31   34  102     13   48   65   72   84   88   91   92   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_GDT     Q   115_A     Q   115_A     31   34  102     13   55   65   72   84   88   91   92   93   96   98  100  101  102  102  102  102  102  102  102 
LCS_AVERAGE  LCS_A:  49.15  (  31.84   38.33   77.27 )

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     24     55     65     72     84     88     91     92     93     96     98    100    101    102    102    102    102    102    102    102 
GDT PERCENT_AT  18.18  41.67  49.24  54.55  63.64  66.67  68.94  69.70  70.45  72.73  74.24  75.76  76.52  77.27  77.27  77.27  77.27  77.27  77.27  77.27
GDT RMS_LOCAL    0.37   0.68   0.85   1.10   1.52   1.56   1.68   1.71   1.80   2.10   2.33   2.59   2.71   2.88   2.88   2.88   2.88   2.88   2.88   2.88
GDT RMS_ALL_AT   3.62   3.27   3.18   3.07   3.00   3.00   2.98   2.98   2.97   2.93   2.92   2.90   2.89   2.88   2.88   2.88   2.88   2.88   2.88   2.88

# Checking swapping
#   possible swapping detected:  F    19_A      F    19_A
#   possible swapping detected:  D    56_A      D    56_A
#   possible swapping detected:  E    72_A      E    72_A
#   possible swapping detected:  F    92_A      F    92_A
#   possible swapping detected:  F    99_A      F    99_A
#   possible swapping detected:  E   113_A      E   113_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    S    14_A      S    14_A     3.560     0    0.217   0.679     4.401   46.667   44.524
LGA    A    15_A      A    15_A     2.328     0    0.039   0.040     2.890   64.881   64.857
LGA    K    16_A      K    16_A     2.473     0    0.022   1.274     8.085   64.881   44.444
LGA    Q    17_A      Q    17_A     2.819     0    0.033   1.591     8.465   60.952   42.063
LGA    D    18_A      D    18_A     1.911     0    0.053   0.452     4.119   75.119   66.548
LGA    F    19_A      F    19_A     0.305     0    0.049   0.506     3.627   97.619   76.017
LGA    A    20_A      A    20_A     0.885     0    0.025   0.039     1.378   90.476   88.667
LGA    E    21_A      E    21_A     1.183     0    0.041   1.005     4.627   83.690   67.989
LGA    G    22_A      G    22_A     1.042     0    0.035   0.035     1.132   85.952   85.952
LGA    V    23_A      V    23_A     0.577     0    0.048   1.219     2.970   90.476   82.041
LGA    K    24_A      K    24_A     0.218     0    0.049   0.856     4.454  100.000   80.423
LGA    L    25_A      L    25_A     0.924     0    0.045   1.420     3.511   85.952   75.774
LGA    W    26_A      W    26_A     1.259     0    0.037   0.946     6.590   81.429   56.599
LGA    Q    27_A      Q    27_A     0.925     0    0.032   0.971     4.474   88.214   74.603
LGA    E    28_A      E    28_A     0.575     0    0.048   0.237     1.767   90.476   86.508
LGA    N    29_A      N    29_A     1.037     0    0.049   0.934     2.993   83.690   78.452
LGA    A    30_A      A    30_A     1.181     0    0.037   0.041     1.255   81.429   81.429
LGA    V    31_A      V    31_A     0.775     0    0.032   0.112     1.212   90.476   89.184
LGA    L    32_A      L    32_A     0.520     0    0.029   1.442     3.819   92.857   77.500
LGA    W    33_A      W    33_A     0.732     0    0.028   0.864     4.443   90.476   77.347
LGA    T    34_A      T    34_A     0.677     0    0.031   0.899     2.299   90.476   84.286
LGA    R    35_A      R    35_A     0.556     0    0.045   1.114     7.099   90.476   64.113
LGA    L    36_A      L    36_A     0.758     0    0.046   0.238     1.818   90.476   84.881
LGA    V    37_A      V    37_A     0.853     0    0.036   0.067     1.269   90.476   87.891
LGA    Q    38_A      Q    38_A     0.471     0    0.038   0.876     2.924   97.619   84.233
LGA    A    39_A      A    39_A     0.329     0    0.031   0.041     0.455  100.000  100.000
LGA    F    40_A      F    40_A     0.615     0    0.043   0.189     2.445   95.238   81.169
LGA    Q    41_A      Q    41_A     0.645     0    0.048   0.586     1.866   90.476   85.503
LGA    S    42_A      S    42_A     0.698     0    0.021   0.605     2.354   90.476   86.190
LGA    G    43_A      G    43_A     0.781     0    0.038   0.038     1.485   85.952   85.952
LGA    D    44_A      D    44_A     1.004     0    0.069   0.375     2.448   85.952   82.738
LGA    Q    45_A      Q    45_A     1.715     0    0.072   1.066     4.272   75.000   63.757
LGA    S    46_A      S    46_A     1.825     0    0.087   0.573     1.985   75.000   74.286
LGA    T    47_A      T    47_A     1.190     0    0.022   1.135     3.072   81.429   75.850
LGA    V    48_A      V    48_A     1.282     0    0.047   0.105     1.459   81.429   81.429
LGA    D    49_A      D    49_A     1.715     0    0.040   0.837     3.319   72.857   67.024
LGA    S    50_A      S    50_A     1.286     0    0.031   0.689     2.072   81.429   78.651
LGA    L    51_A      L    51_A     1.223     0    0.046   0.155     1.612   81.429   80.357
LGA    L    52_A      L    52_A     1.484     0    0.050   0.196     2.184   81.429   76.131
LGA    K    53_A      K    53_A     1.400     0    0.030   0.696     2.545   81.429   73.175
LGA    Q    54_A      Q    54_A     1.448     0    0.028   0.568     1.582   79.286   80.529
LGA    L    55_A      L    55_A     1.321     0    0.031   0.168     1.540   79.286   81.488
LGA    D    56_A      D    56_A     1.663     0    0.041   0.431     2.721   72.857   71.964
LGA    A    57_A      A    57_A     1.487     0    0.031   0.046     1.528   77.143   78.000
LGA    N    58_A      N    58_A     1.526     0    0.039   1.030     3.795   75.000   72.381
LGA    A    59_A      A    59_A     1.441     0    0.036   0.046     1.705   77.143   78.000
LGA    A    60_A      A    60_A     1.892     0    0.035   0.039     2.065   72.857   71.238
LGA    R    61_A      R    61_A     1.561     0    0.022   1.301     7.688   75.000   54.848
LGA    V    62_A      V    62_A     1.620     0    0.045   0.071     1.706   72.857   72.857
LGA    E    63_A      E    63_A     1.749     0    0.055   0.882     3.158   72.857   71.270
LGA    Q    64_A      Q    64_A     2.044     0    0.028   1.105     5.141   70.833   58.307
LGA    L    65_A      L    65_A     1.893     0    0.061   0.172     2.036   72.857   71.845
LGA    L    66_A      L    66_A     2.136     0    0.035   0.109     2.320   64.762   67.798
LGA    Q    67_A      Q    67_A     2.368     0    0.047   0.679     5.005   68.810   51.164
LGA    R    68_A      R    68_A     1.379     0    0.031   0.964     5.527   79.286   62.857
LGA    I    69_A      I    69_A     1.635     0    0.032   0.122     2.016   70.833   71.845
LGA    I    70_A      I    70_A     2.563     0    0.035   0.144     3.919   60.952   55.595
LGA    S    71_A      S    71_A     1.533     0    0.050   0.059     2.145   70.833   75.873
LGA    E    72_A      E    72_A     2.016     0    0.045   0.948     5.061   62.976   50.529
LGA    T    73_A      T    73_A     3.686     0    0.097   0.953     6.705   48.333   36.463
LGA    G    74_A      G    74_A     3.499     0    0.369   0.369     5.516   36.905   36.905
LGA    D    75_A      D    75_A     8.681     0    0.594   0.804    13.539    5.714    2.857
LGA    E    76_A      E    76_A     8.858     0    0.041   1.131    11.146    2.024    2.434
LGA    L    77_A      L    77_A    11.255     0    0.332   1.238    16.204    0.119    0.060
LGA    A    78_A      A    78_A     8.881     0    0.592   0.556     8.910    3.810    5.048
LGA    R    79_A      R    79_A     7.777     0    0.048   1.442    11.645    7.976    4.069
LGA    K    80_A      K    80_A     6.549     0    0.618   1.093     9.453    9.524   29.312
LGA    G    81_A      G    81_A     6.711     0    0.067   0.067     7.246   12.619   12.619
LGA    E    82_A      E    82_A     7.489     0    0.130   0.218     8.181    9.286    7.302
LGA    S    83_A      S    83_A     6.490     0    0.259   0.276     7.039   14.405   18.413
LGA    L    84_A      L    84_A     5.547     0    0.545   0.467     8.301   21.786   16.726
LGA    F    85_A      F    85_A     3.654     0    0.097   1.135     3.939   46.667   53.160
LGA    Q    86_A      Q    86_A     2.236     0    0.040   1.009     2.658   62.857   68.677
LGA    R    87_A      R    87_A     2.854     0    0.036   1.213    10.917   55.357   30.563
LGA    N    88_A      N    88_A     2.854     0    0.067   1.082     2.923   57.143   59.107
LGA    Q    89_A      Q    89_A     2.807     0    0.042   0.314     3.379   57.143   56.402
LGA    Q    90_A      Q    90_A     2.699     0    0.035   1.072     4.338   57.143   54.921
LGA    L    91_A      L    91_A     2.720     0    0.101   0.200     2.827   57.143   57.143
LGA    F    92_A      F    92_A     2.910     0    0.040   1.205     3.594   57.143   64.416
LGA    S    93_A      S    93_A     2.836     0    0.073   0.582     3.032   60.952   64.048
LGA    Q    94_A      Q    94_A     1.905     0    0.035   0.856     4.176   70.833   62.434
LGA    L    95_A      L    95_A     2.130     0    0.030   0.995     2.323   64.762   73.393
LGA    K    96_A      K    96_A     2.421     0    0.033   1.202     4.219   64.762   60.847
LGA    T    97_A      T    97_A     2.017     0    0.038   1.146     4.156   68.810   62.177
LGA    L    98_A      L    98_A     1.443     0    0.040   0.249     1.709   75.000   77.143
LGA    F    99_A      F    99_A     1.846     0    0.082   1.340     4.976   72.857   61.818
LGA    S   100_A      S   100_A     1.969     0    0.039   0.683     2.440   70.833   70.159
LGA    Q   101_A      Q   101_A     1.953     0    0.038   1.354     2.765   72.857   72.063
LGA    G   102_A      G   102_A     1.492     0    0.097   0.097     1.611   79.286   79.286
LGA    D   103_A      D   103_A     0.900     0    0.098   0.196     1.117   90.595   90.536
LGA    E   104_A      E   104_A     0.488     0    0.060   0.864     3.867   95.238   81.640
LGA    D   105_A      D   105_A     0.864     0    0.026   0.897     4.079   90.476   71.726
LGA    T   106_A      T   106_A     1.006     0    0.036   1.117     3.340   88.214   78.435
LGA    A   107_A      A   107_A     0.393     0    0.049   0.048     0.582   97.619   98.095
LGA    K   108_A      K   108_A     0.471     0    0.034   0.914     4.140   95.238   83.810
LGA    A   109_A      A   109_A     0.603     0    0.049   0.048     0.693   92.857   92.381
LGA    V   110_A      V   110_A     0.404     0    0.039   1.151     2.739  100.000   88.639
LGA    L   111_A      L   111_A     0.357     0    0.043   0.971     3.353  100.000   86.964
LGA    E   112_A      E   112_A     0.486     0    0.041   0.914     3.217   95.238   82.698
LGA    E   113_A      E   113_A     0.637     0    0.023   0.620     2.865   92.857   77.566
LGA    I   114_A      I   114_A     0.520     0    0.048   1.402     4.401   95.238   80.774
LGA    Q   115_A      Q   115_A     0.283     0    0.109   0.876     3.865   95.238   82.698

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      102     408    408  100.00     810    810  100.00               132
SUMMARY(RMSD_GDC):     2.884          2.909                  3.472           55.258   51.006

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  102  132    4.0     92    1.71    60.795    57.895     5.072

LGA_LOCAL      RMSD:   1.714  Number of atoms:   92  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.982  Number of assigned atoms:  102 
Std_ASGN_ATOMS RMSD:   2.884  Standard rmsd on all 102 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.084260 * X  +   0.975325 * Y  +   0.204063 * Z  + -21.078485
  Y_new =  -0.952367 * X  +  -0.018591 * Y  +  -0.304387 * Z  +  18.003321
  Z_new =  -0.293083 * X  +  -0.219991 * Y  +   0.930434 * Z  + -39.140972 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.659040  0.297450 -0.232175   [DEG:  -95.0560   17.0426  -13.3027 ]
ZXZ:  0.590588  0.375202 -2.214687   [DEG:   33.8382   21.4975 -126.8922 ]
 
# END of job
