
#######################################################
#                                                     #
#                        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   84 (  617),  selected   84 , name one
# Molecule2: number of CA atoms  401 ( 3055),  selected   84 , 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:    42     322_A - 363_A       4.87    24.93
  LONGEST_CONTINUOUS_SEGMENT:    42     323_A - 364_A       4.74    24.96
  LONGEST_CONTINUOUS_SEGMENT:    42     324_A - 365_A       4.95    24.95
  LCS_AVERAGE:      8.57

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    28     327_A - 354_A       2.00    25.91
  LONGEST_CONTINUOUS_SEGMENT:    28     328_A - 355_A       2.00    26.01
  LCS_AVERAGE:      4.98

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    18     306_A - 323_A       0.76    31.43
  LCS_AVERAGE:      3.33

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   84
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     G   306_A     G   306_A     18   19   22      3    8   14   18   18   18   18   18   18   18   19   19   20   21   21   22   22   23   25   28 
LCS_GDT     A   307_A     A   307_A     18   19   22      9   17   17   18   18   18   18   18   18   18   19   19   20   21   21   23   30   33   35   37 
LCS_GDT     T   308_A     T   308_A     18   19   22     13   17   17   18   18   18   18   18   18   18   19   19   20   21   25   29   30   33   38   38 
LCS_GDT     P   309_A     P   309_A     18   19   22      9   17   17   18   18   18   18   18   18   18   19   19   20   21   21   22   22   33   38   38 
LCS_GDT     E   310_A     E   310_A     18   19   22     13   17   17   18   18   18   18   18   18   18   19   19   20   22   25   29   30   33   38   38 
LCS_GDT     E   311_A     E   311_A     18   19   22     13   17   17   18   18   18   18   18   18   18   19   19   20   22   25   29   30   33   38   38 
LCS_GDT     I   312_A     I   312_A     18   19   22     13   17   17   18   18   18   18   18   18   18   19   19   20   22   25   29   30   33   38   38 
LCS_GDT     A   313_A     A   313_A     18   19   22     13   17   17   18   18   18   18   18   18   18   19   19   20   22   25   30   31   33   38   38 
LCS_GDT     E   314_A     E   314_A     18   19   22     13   17   17   18   18   18   18   18   18   18   19   19   21   24   29   30   31   33   38   38 
LCS_GDT     A   315_A     A   315_A     18   19   22     13   17   17   18   18   18   18   18   18   18   19   19   20   22   25   29   30   33   38   38 
LCS_GDT     Q   316_A     Q   316_A     18   19   22     13   17   17   18   18   18   18   18   18   18   19   19   20   22   29   30   31   33   38   39 
LCS_GDT     W   317_A     W   317_A     18   19   22     13   17   17   18   18   18   18   18   18   18   20   23   26   29   29   32   34   36   38   41 
LCS_GDT     A   318_A     A   318_A     18   19   22     13   17   17   18   18   18   18   18   18   18   19   22   25   29   29   32   34   36   38   41 
LCS_GDT     I   319_A     I   319_A     18   19   22     13   17   17   18   18   18   18   18   18   18   19   20   24   25   26   29   31   36   38   41 
LCS_GDT     S   320_A     S   320_A     18   19   23     13   17   17   18   18   18   18   18   18   18   19   22   26   29   29   32   34   36   38   41 
LCS_GDT     R   321_A     R   321_A     18   19   24     13   17   17   18   18   18   18   18   18   18   19   22   24   29   29   32   34   36   38   41 
LCS_GDT     L   322_A     L   322_A     18   19   42     12   17   17   18   18   18   18   18   18   18   19   22   29   35   37   39   40   41   42   43 
LCS_GDT     L   323_A     L   323_A     18   19   42      8   17   17   18   18   18   18   18   18   18   21   28   34   37   38   39   40   41   42   43 
LCS_GDT     A   324_A     A   324_A      3   19   42      3    3    3    3    6    9   12   14   16   18   24   32   35   37   38   39   40   41   42   43 
LCS_GDT     T   325_A     T   325_A      3   18   42      3    3    5    5    6    7    9   15   18   21   35   36   38   39   39   40   40   41   42   43 
LCS_GDT     A   326_A     A   326_A     17   21   42     14   16   16   16   23   30   33   35   36   36   36   37   38   39   39   40   40   41   42   43 
LCS_GDT     A   327_A     A   327_A     17   28   42     14   16   16   16   24   30   33   35   36   36   36   37   38   39   39   40   40   41   42   43 
LCS_GDT     A   328_A     A   328_A     17   28   42     14   16   16   19   24   30   33   35   36   36   36   37   38   39   39   40   40   41   42   43 
LCS_GDT     E   329_A     E   329_A     17   28   42     14   16   16   19   26   30   33   35   36   36   36   37   38   39   39   40   40   41   42   43 
LCS_GDT     L   330_A     L   330_A     17   28   42     14   16   16   19   26   30   33   35   36   36   36   37   38   39   39   40   40   41   42   43 
LCS_GDT     S   331_A     S   331_A     17   28   42     14   16   16   20   26   30   33   35   36   36   36   37   38   39   39   40   40   41   42   43 
LCS_GDT     A   332_A     A   332_A     17   28   42     14   16   16   20   26   30   33   35   36   36   36   37   38   39   39   40   40   41   42   43 
LCS_GDT     L   333_A     L   333_A     17   28   42     14   16   16   20   26   30   33   35   36   36   36   37   38   39   39   40   40   41   42   43 
LCS_GDT     E   334_A     E   334_A     17   28   42     14   16   16   20   26   30   33   35   36   36   36   37   38   39   39   40   40   41   42   43 
LCS_GDT     R   335_A     R   335_A     17   28   42     14   16   16   20   26   30   33   35   36   36   36   37   38   39   39   40   40   41   42   43 
LCS_GDT     V   336_A     V   336_A     17   28   42     14   16   16   20   26   30   33   35   36   36   36   37   38   39   39   40   40   41   42   43 
LCS_GDT     L   337_A     L   337_A     17   28   42     14   16   16   19   26   30   33   35   36   36   36   37   38   39   39   40   40   41   42   43 
LCS_GDT     E   338_A     E   338_A     17   28   42     14   16   16   20   26   30   33   35   36   36   36   37   38   39   39   40   40   41   42   43 
LCS_GDT     T   339_A     T   339_A     17   28   42      4   16   16   18   26   30   33   35   36   36   36   37   38   39   39   40   40   41   42   43 
LCS_GDT     L   340_A     L   340_A     17   28   42     14   16   16   16   20   29   33   35   36   36   36   37   38   39   39   40   40   41   42   43 
LCS_GDT     L   341_A     L   341_A     17   28   42      7   16   16   18   26   30   33   35   36   36   36   37   38   39   39   40   40   41   42   43 
LCS_GDT     K   342_A     K   342_A     17   28   42      3    7   12   18   26   30   33   35   36   36   36   37   38   39   39   40   40   41   42   43 
LCS_GDT     H   343_A     H   343_A      8   28   42      3    7   13   20   26   30   33   35   36   36   36   37   38   39   39   40   40   41   42   43 
LCS_GDT     V   344_A     V   344_A     14   28   42      4    8   15   20   26   30   33   35   36   36   36   37   38   39   39   40   40   41   42   43 
LCS_GDT     A   345_A     A   345_A     15   28   42      4    9   15   20   26   30   33   35   36   36   36   37   38   39   39   40   40   41   42   43 
LCS_GDT     E   346_A     E   346_A     15   28   42      4    8   15   20   26   30   33   35   36   36   36   37   38   39   39   40   40   41   42   43 
LCS_GDT     A   347_A     A   347_A     15   28   42      4    8   15   20   26   30   33   35   36   36   36   37   38   39   39   40   40   41   42   43 
LCS_GDT     D   348_A     D   348_A     15   28   42     13   13   15   20   26   30   33   35   36   36   36   37   38   39   39   40   40   41   42   43 
LCS_GDT     K   349_A     K   349_A     15   28   42     13   13   15   20   26   30   33   35   36   36   36   37   38   39   39   40   40   41   42   43 
LCS_GDT     A   350_A     A   350_A     15   28   42     13   13   15   20   26   30   33   35   36   36   36   37   38   39   39   40   40   41   42   43 
LCS_GDT     R   351_A     R   351_A     15   28   42     13   13   15   20   26   30   33   35   36   36   36   37   38   39   39   40   40   41   42   43 
LCS_GDT     V   352_A     V   352_A     15   28   42     13   13   15   20   26   30   33   35   36   36   36   37   38   39   39   40   40   41   42   43 
LCS_GDT     E   353_A     E   353_A     15   28   42     13   13   15   20   26   30   33   35   36   36   36   37   38   39   39   40   40   41   42   43 
LCS_GDT     A   354_A     A   354_A     15   28   42     13   13   15   20   26   30   33   35   36   36   36   37   38   39   39   40   40   41   42   43 
LCS_GDT     A   355_A     A   355_A     15   28   42     13   13   15   17   24   30   33   35   36   36   36   37   38   39   39   40   40   41   42   43 
LCS_GDT     L   356_A     L   356_A     15   26   42     13   13   15   17   18   28   33   35   36   36   36   37   38   39   39   40   40   41   42   43 
LCS_GDT     A   357_A     A   357_A     15   19   42     13   13   15   17   24   30   33   35   36   36   36   37   38   39   39   40   40   41   42   43 
LCS_GDT     R   358_A     R   358_A     15   19   42     13   13   15   17   17   24   33   35   36   36   36   37   38   39   39   40   40   41   42   43 
LCS_GDT     V   359_A     V   359_A     15   19   42     13   13   15   17   17   19   28   35   36   36   36   37   38   39   39   40   40   41   42   43 
LCS_GDT     E   360_A     E   360_A     15   19   42     13   13   15   17   17   19   28   35   36   36   36   37   37   39   39   40   40   41   42   43 
LCS_GDT     T   361_A     T   361_A      3   19   42      3    5   13   20   26   30   33   35   36   36   36   37   38   39   39   40   40   41   42   43 
LCS_GDT     T   362_A     T   362_A      3   14   42      3    3    6    7    9   13   20   27   31   32   36   37   38   39   39   40   40   41   42   43 
LCS_GDT     R   363_A     R   363_A     13   16   42      5   13   13   13   13   17   17   23   29   32   36   36   38   39   39   40   40   41   42   43 
LCS_GDT     A   364_A     A   364_A     13   16   42      6   13   13   13   13   17   17   17   24   27   32   35   37   38   39   40   40   41   42   43 
LCS_GDT     G   365_A     G   365_A     13   16   42      6   13   13   13   13   17   17   17   18   19   23   24   26   29   29   32   34   36   39   41 
LCS_GDT     L   366_A     L   366_A     13   16   41      6   13   13   13   13   17   17   17   18   19   23   24   26   29   29   32   34   36   38   41 
LCS_GDT     I   367_A     I   367_A     13   16   28      7   13   13   13   13   17   17   17   18   19   23   24   26   29   29   32   34   36   38   41 
LCS_GDT     D   368_A     D   368_A     13   16   28      8   13   13   13   13   17   17   17   18   19   23   24   26   29   29   32   34   36   38   41 
LCS_GDT     I   369_A     I   369_A     13   16   28      8   13   13   13   13   17   17   17   18   18   23   24   26   29   29   32   34   36   38   41 
LCS_GDT     F   370_A     F   370_A     13   16   28      8   13   13   13   13   17   17   17   18   18   23   24   26   29   29   32   34   36   38   41 
LCS_GDT     R   371_A     R   371_A     13   16   28      8   13   13   13   13   17   17   17   18   19   23   24   26   29   29   32   34   36   38   41 
LCS_GDT     E   372_A     E   372_A     13   16   28      8   13   13   13   13   17   17   17   18   18   23   24   26   29   29   32   34   36   38   41 
LCS_GDT     A   373_A     A   373_A     13   16   28      8   13   13   13   13   17   17   17   18   18   20   23   26   29   29   32   34   36   38   41 
LCS_GDT     A   374_A     A   374_A     13   16   28      8   13   13   13   13   17   17   17   18   18   23   24   26   29   29   32   34   36   38   41 
LCS_GDT     A   375_A     A   375_A     13   16   28      8   13   13   13   13   17   17   17   18   19   23   24   26   29   29   32   34   36   38   41 
LCS_GDT     A   376_A     A   376_A      4   16   28      3    4    4    6   13   17   17   17   18   18   20   23   26   29   29   32   34   36   38   41 
LCS_GDT     Q   377_A     Q   377_A      4   16   28      3    4    8    9    9   11   15   17   18   18   23   24   26   29   29   32   34   36   38   41 
LCS_GDT     A   378_A     A   378_A      3   16   28      0    4    6    9   12   17   17   17   18   19   23   24   26   29   29   32   34   36   38   41 
LCS_GDT     A   379_A     A   379_A      3    6   28      1    3    5    6    6    7    9   14   16   19   23   24   26   29   29   32   34   36   38   41 
LCS_GDT     G   380_A     G   380_A      4    6   28      3    4    4    5    5    7    9   14   16   19   23   24   26   29   29   32   34   36   38   41 
LCS_GDT     S   381_A     S   381_A      4    6   28      3    4    5    6    6    8   10   14   16   19   23   24   26   26   29   32   34   36   38   41 
LCS_GDT     P   382_A     P   382_A      4    6   28      3    4    5    6    6    8   10   14   16   19   23   24   26   26   29   31   34   36   38   41 
LCS_GDT     R   383_A     R   383_A      4    7   28      3    4    5    6    6    8   10   14   16   19   23   24   26   26   29   31   33   36   38   41 
LCS_GDT     T   384_A     T   384_A      6    7   28      6    6    6    6    6    8   10   14   16   19   23   24   26   26   29   32   34   36   38   41 
LCS_GDT     L   385_A     L   385_A      6    7   28      6    6    6    6    6    7   10   14   16   19   23   24   26   26   29   32   34   36   38   41 
LCS_GDT     A   386_A     A   386_A      6    7   28      6    6    6    6    6    8   10   14   16   19   23   24   26   26   26   30   33   36   37   41 
LCS_GDT     E   387_A     E   387_A      6    7   28      6    6    6    6    6    8   10   14   16   19   23   24   26   26   26   28   33   36   37   40 
LCS_GDT     I   388_A     I   388_A      6    7   28      6    6    6    6    6    8   10   13   16   19   23   24   26   26   26   30   33   36   38   41 
LCS_GDT     A   389_A     A   389_A      6    7   28      6    6    6    6    6    8   10   12   14   17   20   24   26   26   26   28   29   31   33   36 
LCS_AVERAGE  LCS_A:   5.63  (   3.33    4.98    8.57 )

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     14     17     17     20     26     30     33     35     36     36     36     37     38     39     39     40     40     41     42     43 
GDT PERCENT_AT   3.49   4.24   4.24   4.99   6.48   7.48   8.23   8.73   8.98   8.98   8.98   9.23   9.48   9.73   9.73   9.98   9.98  10.22  10.47  10.72
GDT RMS_LOCAL    0.26   0.51   0.51   1.43   1.80   2.03   2.20   2.43   2.48   2.48   2.48   2.81   3.34   3.40   3.40   3.75   3.75   4.44   4.87   5.15
GDT RMS_ALL_AT  23.75  31.14  31.14  26.40  26.08  25.95  25.90  25.94  25.91  25.91  25.91  25.79  25.44  25.48  25.48  25.33  25.33  25.12  24.93  24.77

# Checking swapping
#   possible swapping detected:  E   311_A      E   311_A
#   possible swapping detected:  E   338_A      E   338_A
#   possible swapping detected:  E   346_A      E   346_A
#   possible swapping detected:  E   353_A      E   353_A
#   possible swapping detected:  E   360_A      E   360_A
#   possible swapping detected:  D   368_A      D   368_A
#   possible swapping detected:  E   387_A      E   387_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G   306_A      G   306_A    49.331     0    0.100   0.100    49.331    0.000    0.000
LGA    A   307_A      A   307_A    44.523     0    0.064   0.077    46.675    0.000    0.000
LGA    T   308_A      T   308_A    47.341     0    0.098   0.197    49.659    0.000    0.000
LGA    P   309_A      P   309_A    46.204     0    0.063   0.309    50.194    0.000    0.000
LGA    E   310_A      E   310_A    44.367     0    0.071   1.028    51.038    0.000    0.000
LGA    E   311_A      E   311_A    39.176     0    0.034   0.668    43.299    0.000    0.000
LGA    I   312_A      I   312_A    37.143     0    0.075   0.106    41.397    0.000    0.000
LGA    A   313_A      A   313_A    37.423     0    0.041   0.047    39.887    0.000    0.000
LGA    E   314_A      E   314_A    34.211     0    0.000   1.138    36.751    0.000    0.000
LGA    A   315_A      A   315_A    29.027     0    0.031   0.034    31.347    0.000    0.000
LGA    Q   316_A      Q   316_A    28.136     0    0.023   1.315    30.432    0.000    0.000
LGA    W   317_A      W   317_A    29.350     0    0.000   1.587    32.793    0.000    0.000
LGA    A   318_A      A   318_A    24.695     0    0.045   0.042    26.698    0.000    0.000
LGA    I   319_A      I   319_A    20.163     0    0.030   0.112    22.212    0.000    0.000
LGA    S   320_A      S   320_A    22.489     0    0.000   0.633    27.028    0.000    0.000
LGA    R   321_A      R   321_A    23.200     0    0.020   0.986    29.221    0.000    0.000
LGA    L   322_A      L   322_A    17.002     0    0.159   1.367    19.236    0.000    0.000
LGA    L   323_A      L   323_A    15.291     0    0.328   0.304    19.056    0.000    0.000
LGA    A   324_A      A   324_A    14.181     0    0.551   0.545    15.618    0.000    0.000
LGA    T   325_A      T   325_A     9.824     0    0.584   0.972    12.381    6.786    3.878
LGA    A   326_A      A   326_A     2.914     0    0.605   0.575     5.599   50.119   48.762
LGA    A   327_A      A   327_A     2.113     0    0.040   0.044     2.506   66.905   66.476
LGA    A   328_A      A   328_A     1.455     0    0.043   0.040     1.786   81.548   79.810
LGA    E   329_A      E   329_A     1.785     0    0.003   0.215     3.754   72.857   61.958
LGA    L   330_A      L   330_A     1.877     0    0.100   0.107     2.704   72.857   66.905
LGA    S   331_A      S   331_A     1.050     0    0.017   0.151     1.267   81.429   82.937
LGA    A   332_A      A   332_A     1.051     0    0.040   0.046     1.374   81.429   81.429
LGA    L   333_A      L   333_A     1.902     0    0.049   0.060     2.414   68.810   66.786
LGA    E   334_A      E   334_A     2.000     0    0.041   1.262     5.463   68.810   62.540
LGA    R   335_A      R   335_A     1.727     0    0.085   1.428     6.972   66.905   54.286
LGA    V   336_A      V   336_A     2.456     0    0.018   0.091     3.248   59.167   58.367
LGA    L   337_A      L   337_A     3.034     0    0.039   1.362     6.359   51.786   43.631
LGA    E   338_A      E   338_A     2.803     0    0.038   0.649     4.770   57.143   48.466
LGA    T   339_A      T   339_A     3.347     0    0.069   1.199     4.526   46.667   47.551
LGA    L   340_A      L   340_A     3.905     0    0.224   0.426     6.236   48.452   36.964
LGA    L   341_A      L   341_A     3.337     0    0.048   1.359     5.719   53.810   46.667
LGA    K   342_A      K   342_A     3.176     0    0.141   0.283     8.530   53.571   34.180
LGA    H   343_A      H   343_A     1.726     0    0.084   0.243     3.654   77.381   64.095
LGA    V   344_A      V   344_A     1.312     0    0.133   1.002     3.397   83.690   74.626
LGA    A   345_A      A   345_A     1.747     0    0.035   0.037     1.875   72.857   72.857
LGA    E   346_A      E   346_A     2.038     0    0.057   1.123     2.639   66.786   69.418
LGA    A   347_A      A   347_A     2.452     0    0.136   0.153     2.717   62.857   63.238
LGA    D   348_A      D   348_A     1.892     0    0.190   0.211     1.953   72.857   72.857
LGA    K   349_A      K   349_A     2.048     0    0.041   0.838     2.487   70.952   70.212
LGA    A   350_A      A   350_A     0.985     0    0.056   0.066     1.397   88.214   88.667
LGA    R   351_A      R   351_A     0.902     0    0.036   1.385     6.191   85.952   62.078
LGA    V   352_A      V   352_A     1.837     0    0.077   0.112     2.375   70.833   68.231
LGA    E   353_A      E   353_A     1.266     0    0.060   0.659     3.046   81.429   70.688
LGA    A   354_A      A   354_A     1.206     0    0.072   0.073     2.082   75.119   76.381
LGA    A   355_A      A   355_A     2.367     0    0.000   0.024     3.162   61.190   61.905
LGA    L   356_A      L   356_A     2.939     0    0.054   1.378     6.408   55.357   46.310
LGA    A   357_A      A   357_A     2.314     0    0.036   0.036     3.037   59.167   61.905
LGA    R   358_A      R   358_A     3.602     0    0.039   1.093     4.784   41.905   39.524
LGA    V   359_A      V   359_A     4.497     0    0.146   0.171     5.077   37.143   33.946
LGA    E   360_A      E   360_A     4.471     0    0.389   1.571     9.478   51.548   26.931
LGA    T   361_A      T   361_A     3.162     0    0.638   0.558     8.000   47.262   34.218
LGA    T   362_A      T   362_A     8.720     0    0.596   0.556    13.229    5.833    3.333
LGA    R   363_A      R   363_A     9.122     0    0.544   1.270    12.798    1.071    9.957
LGA    A   364_A      A   364_A    12.125     0    0.064   0.071    16.446    0.000    0.000
LGA    G   365_A      G   365_A    18.475     0    0.047   0.047    21.484    0.000    0.000
LGA    L   366_A      L   366_A    19.346     0    0.051   0.652    22.552    0.000    0.000
LGA    I   367_A      I   367_A    19.499     0    0.028   0.051    23.395    0.000    0.000
LGA    D   368_A      D   368_A    22.398     0    0.181   1.112    26.899    0.000    0.000
LGA    I   369_A      I   369_A    28.164     0    0.058   0.566    31.723    0.000    0.000
LGA    F   370_A      F   370_A    29.969     0    0.000   1.295    32.836    0.000    0.000
LGA    R   371_A      R   371_A    29.146     0    0.063   0.930    32.798    0.000    0.000
LGA    E   372_A      E   372_A    32.940     0    0.080   1.326    37.523    0.000    0.000
LGA    A   373_A      A   373_A    38.206     0    0.072   0.095    41.552    0.000    0.000
LGA    A   374_A      A   374_A    38.995     0    0.056   0.071    42.002    0.000    0.000
LGA    A   375_A      A   375_A    38.858     0    0.596   0.551    42.347    0.000    0.000
LGA    A   376_A      A   376_A    43.462     0    0.580   0.581    46.125    0.000    0.000
LGA    Q   377_A      Q   377_A    44.574     0    0.605   1.278    48.192    0.000    0.000
LGA    A   378_A      A   378_A    46.813     0    0.635   0.605    46.813    0.000    0.000
LGA    A   379_A      A   379_A    46.663     0    0.636   0.576    49.666    0.000    0.000
LGA    G   380_A      G   380_A    49.030     0    0.716   0.716    50.526    0.000    0.000
LGA    S   381_A      S   381_A    48.173     0    0.047   0.091    48.173    0.000    0.000
LGA    P   382_A      P   382_A    48.350     0    0.097   0.390    50.154    0.000    0.000
LGA    R   383_A      R   383_A    44.134     0    0.616   1.281    45.776    0.000    0.000
LGA    T   384_A      T   384_A    41.574     0    0.693   0.688    43.770    0.000    0.000
LGA    L   385_A      L   385_A    39.173     0    0.016   0.114    41.902    0.000    0.000
LGA    A   386_A      A   386_A    35.551     0    0.145   0.153    37.413    0.000    0.000
LGA    E   387_A      E   387_A    32.801     0    0.064   0.503    38.424    0.000    0.000
LGA    I   388_A      I   388_A    31.205     0    0.072   0.085    36.882    0.000    0.000
LGA    A   389_A      A   389_A    28.634     0    0.539   0.562    30.422    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       84     336    336  100.00     617    617  100.00               401
SUMMARY(RMSD_GDC):    17.793         17.637                 17.564            5.881    5.394

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   84  401    4.0     35    2.43     6.983     6.766     1.383

LGA_LOCAL      RMSD:   2.431  Number of atoms:   35  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  25.938  Number of assigned atoms:   84 
Std_ASGN_ATOMS RMSD:  17.793  Standard rmsd on all 84 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.766501 * X  +   0.622464 * Y  +  -0.158160 * Z  +  85.707558
  Y_new =  -0.054443 * X  +  -0.308351 * Y  +  -0.949714 * Z  + 312.061432
  Z_new =  -0.639931 * X  +  -0.719346 * Y  +   0.270240 * Z  + 263.891022 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -3.070684  0.694408 -1.211434   [DEG: -175.9372   39.7867  -69.4101 ]
ZXZ: -0.165020  1.297154 -2.414553   [DEG:   -9.4549   74.3214 -138.3437 ]
 
# END of job
