
#######################################################
#                                                     #
#                        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   83 (  661),  selected   83 , name one
# Molecule2: number of CA atoms  166 ( 1331),  selected   83 , 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:    31     106_A - 136_A       4.80    16.65
  LONGEST_CONTINUOUS_SEGMENT:    31     107_A - 137_A       4.79    16.35
  LCS_AVERAGE:     15.59

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    12     109_A - 120_A       1.85    16.03
  LONGEST_CONTINUOUS_SEGMENT:    12     110_A - 121_A       1.79    15.93
  LONGEST_CONTINUOUS_SEGMENT:    12     141_A - 152_A       1.86    16.73
  LCS_AVERAGE:      5.15

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    11     110_A - 120_A       0.97    16.50
  LCS_AVERAGE:      3.51

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   83
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     N    96_A     N    96_A      4    4   13      0    2    4    4   11   13   14   18   19   20   22   22   23   26   28   30   34   41   46   51 
LCS_GDT     L    97_A     L    97_A      4    7   13      0    5    5    5    6    9   14   18   19   20   22   22   24   26   29   31   34   40   46   51 
LCS_GDT     D    98_A     D    98_A      4    7   13      3    3    4    5    6    8    9    9   11   12   12   13   14   23   23   24   26   28   30   31 
LCS_GDT     N    99_A     N    99_A      4    7   13      3    5    5    5    6    8    9    9   11   12   12   13   14   16   17   17   17   19   19   25 
LCS_GDT     G   100_A     G   100_A      4    7   13      3    5    5    5    6    8    9    9   11   12   12   13   14   16   17   24   24   28   28   30 
LCS_GDT     R   101_A     R   101_A      4    7   13      3    5    5    5    6    9   14   18   19   20   22   22   22   23   24   25   27   28   29   31 
LCS_GDT     K   102_A     K   102_A      4    7   14      3    5    5    5    6   13   14   17   19   20   22   22   23   26   28   28   30   31   33   35 
LCS_GDT     I   103_A     I   103_A      4    7   14      3    4    4    5    6    8    9    9   11   12   18   21   23   24   25   26   29   31   34   38 
LCS_GDT     M   104_A     M   104_A      4    6   14      3    4    4    5    6    8    9    9   11   12   12   14   16   16   19   21   24   28   31   32 
LCS_GDT     R   105_A     R   105_A      4    6   17      3    4    4    5    6    8    8    9   11   12   12   13   16   16   18   21   24   28   28   31 
LCS_GDT     L   106_A     L   106_A      3    5   31      0    3    3    3    6    8    8    9   11   12   12   14   16   23   29   31   32   34   36   42 
LCS_GDT     Q   107_A     Q   107_A      3    4   31      3    3    3    4    5    9   11   14   20   22   24   26   28   35   40   44   49   53   56   58 
LCS_GDT     L   108_A     L   108_A      3    4   31      3    3    3    4    5    8   10   14   20   22   24   26   27   31   38   44   47   53   56   58 
LCS_GDT     G   109_A     G   109_A      3   12   31      3    3    3    4    7    9   12   17   20   22   24   26   27   31   38   44   48   53   56   58 
LCS_GDT     Q   110_A     Q   110_A     11   12   31      3    7   11   11   11   12   13   17   20   22   23   26   28   34   40   44   48   53   56   58 
LCS_GDT     E   111_A     E   111_A     11   12   31      3    7   11   11   11   17   19   19   21   22   24   26   31   35   40   44   49   53   56   58 
LCS_GDT     T   112_A     T   112_A     11   12   31      3    7   11   11   14   17   19   19   21   22   24   26   31   35   40   44   49   53   56   58 
LCS_GDT     S   113_A     S   113_A     11   12   31      3    7   11   11   14   17   19   19   21   22   24   28   32   36   40   44   49   53   56   58 
LCS_GDT     T   114_A     T   114_A     11   12   31      3    7   11   11   14   17   19   19   21   22   24   28   33   36   40   44   49   53   56   58 
LCS_GDT     L   115_A     L   115_A     11   12   31      4    7   11   11   11   17   19   19   21   22   24   28   33   36   40   44   49   53   56   58 
LCS_GDT     Q   116_A     Q   116_A     11   12   31      4    7   11   11   11   13   16   18   21   22   24   28   33   36   40   44   49   53   56   58 
LCS_GDT     L   117_A     L   117_A     11   12   31      4    7   11   11   11   12   15   17   20   22   24   28   33   36   40   44   49   53   56   58 
LCS_GDT     E   118_A     E   118_A     11   12   31      4    7   11   11   11   12   14   17   20   22   24   28   33   36   40   44   49   53   56   58 
LCS_GDT     Q   119_A     Q   119_A     11   12   31      4    7   11   11   11   12   13   17   20   22   24   27   33   36   40   44   49   53   56   58 
LCS_GDT     K   120_A     K   120_A     11   12   31      4    7   11   11   11   12   14   17   20   22   24   27   33   36   40   44   49   53   56   58 
LCS_GDT     G   121_A     G   121_A      4   12   31      3    3    6    7   10   11   15   17   20   22   24   28   33   36   40   44   49   53   56   58 
LCS_GDT     R   122_A     R   122_A      4    5   31      3    3    4    4    5    6    8   13   17   21   24   27   30   33   39   44   48   53   56   58 
LCS_GDT     V   123_A     V   123_A      4    5   31      3    3    4    4    5    6    7    9   10   12   18   24   26   30   31   36   42   47   51   54 
LCS_GDT     L   124_A     L   124_A      4    5   31      3    3    4    5    5    6    8   10   15   17   23   27   33   36   40   44   49   53   56   58 
LCS_GDT     K   125_A     K   125_A      4    6   31      1    3    4    6    9   11   15   17   20   22   24   28   32   36   40   44   49   53   56   58 
LCS_GDT     M   126_A     M   126_A      4    6   31      0    3    4    6    9   11   15   17   20   22   24   27   30   36   40   44   49   53   56   58 
LCS_GDT     D   127_A     D   127_A      4    8   31      3    4    5    6    9   11   15   17   20   22   24   28   32   36   40   44   49   53   56   58 
LCS_GDT     E   128_A     E   128_A      4    8   31      3    4    5    6    9   11   15   17   20   22   24   28   33   36   40   44   49   53   56   58 
LCS_GDT     A   129_A     A   129_A      4    8   31      3    4    5    6   10   12   15   17   20   22   24   28   33   36   40   44   49   53   56   58 
LCS_GDT     F   130_A     F   130_A      4    8   31      4    4    5    7   10   12   15   17   20   22   24   28   33   36   40   44   49   53   56   58 
LCS_GDT     S   131_A     S   131_A      4    8   31      4    4    5    7    8   11   15   17   20   22   24   28   33   36   40   44   49   53   56   58 
LCS_GDT     I   132_A     I   132_A      4    8   31      4    4    5    6    9   11   15   17   20   22   24   28   33   36   40   44   49   53   56   58 
LCS_GDT     S   133_A     S   133_A      5    8   31      4    4    5    6    9   11   15   17   20   22   24   28   33   36   40   44   49   53   56   58 
LCS_GDT     L   134_A     L   134_A      5    8   31      3    3    5    5    6   11   15   17   20   22   24   28   33   36   40   44   49   53   56   58 
LCS_GDT     E   135_A     E   135_A      5    8   31      3    3    5    6    9   11   15   17   20   22   24   28   30   31   35   42   47   53   56   58 
LCS_GDT     Q   136_A     Q   136_A      5    7   31      3    4    5    5    5    9   12   16   19   21   24   27   30   31   34   39   44   47   53   58 
LCS_GDT     T   137_A     T   137_A      5    7   31      3    4    5    5    7   11   14   16   19   22   24   27   33   36   40   44   49   53   56   58 
LCS_GDT     E   138_A     E   138_A      3    3   28      3    4    6    7    8   11   14   16   19   22   24   28   33   36   40   44   49   53   56   58 
LCS_GDT     E   139_A     E   139_A      3    3   28      3    4    6    7    8   11   14   16   19   22   24   28   33   36   40   44   49   53   56   58 
LCS_GDT     L   140_A     L   140_A      3    9   28      3    3    3    5    8   11   14   18   19   21   23   28   33   36   40   44   49   53   56   58 
LCS_GDT     T   141_A     T   141_A      3   12   28      3    3    3    8   11   13   14   18   19   20   22   24   29   31   36   42   49   53   56   58 
LCS_GDT     E   142_A     E   142_A      9   12   28      3    3    9   10   14   17   19   19   21   22   24   26   29   32   38   43   49   53   56   58 
LCS_GDT     M   143_A     M   143_A      9   12   28      4    8    9   10   14   17   19   19   21   22   24   28   33   36   40   44   49   53   56   58 
LCS_GDT     F   144_A     F   144_A      9   12   28      5    8    9   10   14   17   19   19   21   22   24   28   33   36   40   44   49   53   56   58 
LCS_GDT     Y   145_A     Y   145_A      9   12   28      4    8    9   10   14   17   19   19   21   22   24   28   33   36   40   44   49   53   56   58 
LCS_GDT     E   146_A     E   146_A      9   12   28      4    8    9   10   14   17   19   19   21   22   24   28   29   33   39   43   49   53   56   58 
LCS_GDT     L   147_A     L   147_A      9   12   28      3    8    9   10   14   17   19   19   21   22   24   28   33   36   40   44   49   53   56   58 
LCS_GDT     G   148_A     G   148_A      9   12   28      5    8    9   10   14   17   19   19   21   22   24   28   33   36   40   44   49   53   56   58 
LCS_GDT     R   149_A     R   149_A      9   12   28      5    8    9   10   14   17   19   19   21   22   24   28   33   36   40   44   49   53   56   58 
LCS_GDT     F   150_A     F   150_A      9   12   28      5    8    9   10   14   17   19   19   21   22   24   28   33   36   40   44   49   53   56   58 
LCS_GDT     V   151_A     V   151_A      9   12   28      5    6    9   10   14   17   19   19   21   22   24   28   33   36   40   44   49   53   56   58 
LCS_GDT     V   152_A     V   152_A      3   12   28      3    3    4    6   12   17   19   19   21   22   24   27   33   36   40   44   49   53   56   58 
LCS_GDT     D   153_A     D   153_A      3    5   28      3    3    3    6    8    9   13   18   19   20   22   23   29   32   38   42   48   53   56   58 
LCS_GDT     G   154_A     G   154_A      4    5   28      3    4    4    4    5    7   13   16   19   20   22   24   29   35   40   44   49   53   56   58 
LCS_GDT     T   155_A     T   155_A      4    5   28      3    4    4    4    8   11   12   18   21   22   23   26   29   35   40   44   49   53   56   58 
LCS_GDT     K   156_A     K   156_A      4    5   28      3    4    4    4    8   11   13   19   21   22   24   26   29   35   40   44   49   53   56   58 
LCS_GDT     G   157_A     G   157_A      4    5   28      3    4    5   10   14   17   19   19   21   22   24   28   33   36   40   44   49   53   56   58 
LCS_GDT     E   158_A     E   158_A      4    9   28      3    3    5    7    8   13   19   19   21   22   24   28   33   36   40   44   49   53   56   58 
LCS_GDT     Q   159_A     Q   159_A      4    9   28      3    4    6    7    9   12   19   19   21   22   24   28   33   36   40   44   49   53   56   58 
LCS_GDT     G   160_A     G   160_A      7    9   28      3    7    7    8    9   11   13   15   17   19   21   27   30   32   39   43   49   53   56   58 
LCS_GDT     G   161_A     G   161_A      7    9   28      3    7    7    8    9   11   13   15   17   19   21   26   30   32   39   44   49   53   56   58 
LCS_GDT     F   162_A     F   162_A      7    9   28      5    7    7    8    9   11   13   15   17   19   23   27   33   36   40   44   49   53   56   58 
LCS_GDT     I   163_A     I   163_A      7    9   28      5    7    7    8    9   11   13   15   17   19   22   25   30   36   40   44   49   53   56   58 
LCS_GDT     S   164_A     S   164_A      7    9   28      5    7    7    8    9   11   13   16   18   20   24   28   29   36   40   44   48   53   56   58 
LCS_GDT     I   165_A     I   165_A      7    9   28      5    7    7    8    9   11   13   16   18   19   24   28   28   33   36   41   45   50   54   58 
LCS_GDT     D   166_A     D   166_A      7    9   28      5    7    7    8    9   11   13   16   18   19   21   28   28   31   33   36   44   47   51   54 
LCS_GDT     E   167_A     E   167_A      3    9   28      3    3    4    5    8   10   12   15   18   19   24   28   28   34   40   42   47   53   56   58 
LCS_GDT     R   168_A     R   168_A      6    9   28      5    6    6    6    8    8   10   13   15   17   19   22   23   26   27   34   39   42   47   52 
LCS_GDT     D   169_A     D   169_A      6    9   25      5    6    6    6    8    8   10   11   12   12   13   13   17   18   20   24   28   29   33   45 
LCS_GDT     V   170_A     V   170_A      6    9   14      5    6    6    6    8    8   10   11   12   12   13   13   14   15   17   20   24   25   29   31 
LCS_GDT     Y   171_A     Y   171_A      6    9   14      5    6    6    6    8    8   10   11   12   12   13   13   14   15   17   19   22   24   27   29 
LCS_GDT     L   172_A     L   172_A      6    9   14      5    6    6    6    8    8   10   11   12   12   13   13   14   14   17   17   19   21   21   25 
LCS_GDT     L   173_A     L   173_A      6    9   14      4    6    6    6    8    8   10   11   12   12   13   13   14   15   16   17   19   21   21   24 
LCS_GDT     A   174_A     A   174_A      4    9   14      3    4    4    6    8    8   10   11   12   12   13   13   14   15   16   17   19   21   21   24 
LCS_GDT     A   175_A     A   175_A      4    9   14      3    4    4    6    8    8   10   11   12   12   13   13   14   15   16   17   19   21   21   24 
LCS_GDT     G   176_A     G   176_A      3    7   14      3    4    4    5    7    8   10   11   12   12   13   13   14   15   16   17   19   21   21   22 
LCS_GDT     R   177_A     R   177_A      3    5   14      3    3    3    3    4    4    5    7    7   12   13   13   14   15   16   17   19   21   21   22 
LCS_GDT     E   178_A     E   178_A      3    5   14      3    4    4    4    6    7   10   11   12   12   13   13   14   14   16   17   19   21   21   24 
LCS_AVERAGE  LCS_A:   8.08  (   3.51    5.15   15.59 )

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      5      8     11     11     14     17     19     19     21     22     24     28     33     36     40     44     49     53     56     58 
GDT PERCENT_AT   3.01   4.82   6.63   6.63   8.43  10.24  11.45  11.45  12.65  13.25  14.46  16.87  19.88  21.69  24.10  26.51  29.52  31.93  33.73  34.94
GDT RMS_LOCAL    0.23   0.70   0.97   0.97   1.85   2.17   2.41   2.41   2.68   2.82   3.67   4.35   4.91   5.11   5.50   5.80   6.13   6.41   6.63   6.79
GDT RMS_ALL_AT  24.82  15.90  16.50  16.50  16.01  16.07  16.21  16.21  16.16  16.15  16.73  17.15  16.11  16.10  15.91  15.74  15.89  15.89  15.83  15.80

# Checking swapping
#   possible swapping detected:  D    98_A      D    98_A
#   possible swapping detected:  E   128_A      E   128_A
#   possible swapping detected:  F   130_A      F   130_A
#   possible swapping detected:  E   135_A      E   135_A
#   possible swapping detected:  E   138_A      E   138_A
#   possible swapping detected:  E   139_A      E   139_A
#   possible swapping detected:  E   142_A      E   142_A
#   possible swapping detected:  F   144_A      F   144_A
#   possible swapping detected:  E   146_A      E   146_A
#   possible swapping detected:  F   150_A      F   150_A
#   possible swapping detected:  E   158_A      E   158_A
#   possible swapping detected:  D   166_A      D   166_A
#   possible swapping detected:  D   169_A      D   169_A
#   possible swapping detected:  Y   171_A      Y   171_A
#   possible swapping detected:  E   178_A      E   178_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    N    96_A      N    96_A    13.576     0    0.634   0.973    17.930    0.000    0.000
LGA    L    97_A      L    97_A    13.905     0    0.600   0.653    16.060    0.000    0.000
LGA    D    98_A      D    98_A    18.482     0    0.420   1.362    21.406    0.000    0.000
LGA    N    99_A      N    99_A    21.536     0    0.551   0.762    24.263    0.000    0.000
LGA    G   100_A      G   100_A    20.207     0    0.275   0.275    20.728    0.000    0.000
LGA    R   101_A      R   101_A    22.993     0    0.261   1.231    31.628    0.000    0.000
LGA    K   102_A      K   102_A    18.215     0    0.648   0.918    19.276    0.000    0.000
LGA    I   103_A      I   103_A    15.948     0    0.050   0.732    17.649    0.000    0.000
LGA    M   104_A      M   104_A    17.138     0    0.235   0.929    21.210    0.000    0.000
LGA    R   105_A      R   105_A    16.510     0    0.705   1.063    21.437    0.000    0.000
LGA    L   106_A      L   106_A    13.610     0    0.624   1.275    17.486    0.000    0.000
LGA    Q   107_A      Q   107_A     7.760     0    0.638   1.095    10.263    4.286    6.349
LGA    L   108_A      L   108_A     9.599     0    0.059   0.091    13.485    2.381    1.190
LGA    G   109_A      G   109_A     7.987     0    0.719   0.719     9.338    4.643    4.643
LGA    Q   110_A      Q   110_A     5.984     0    0.572   1.400     7.991   25.119   18.730
LGA    E   111_A      E   111_A     2.910     0    0.076   0.316     3.836   57.500   60.106
LGA    T   112_A      T   112_A     1.519     0    0.122   1.061     3.230   66.905   68.639
LGA    S   113_A      S   113_A     1.561     0    0.064   0.726     3.566   71.071   62.937
LGA    T   114_A      T   114_A     2.848     0    0.054   1.001     6.479   75.476   52.517
LGA    L   115_A      L   115_A     2.845     0    0.008   0.186     6.961   41.429   36.369
LGA    Q   116_A      Q   116_A     4.712     0    0.045   0.795     8.107   45.833   27.884
LGA    L   117_A      L   117_A     5.613     0    0.092   0.251     9.390   15.238   12.440
LGA    E   118_A      E   118_A     6.311     0    0.054   0.659     8.399   22.857   15.767
LGA    Q   119_A      Q   119_A     7.579     0    0.064   0.510    11.173    5.000    2.540
LGA    K   120_A      K   120_A     9.583     0    0.201   0.603    18.060    2.143    0.952
LGA    G   121_A      G   121_A     8.694     0    0.658   0.658    11.837    1.429    1.429
LGA    R   122_A      R   122_A    14.695     0    0.122   0.876    21.771    0.000    0.000
LGA    V   123_A      V   123_A    14.923     0    0.062   0.276    16.041    0.000    0.000
LGA    L   124_A      L   124_A    11.766     0    0.580   1.430    12.600    0.000    3.810
LGA    K   125_A      K   125_A    15.519     0    0.647   0.866    23.045    0.000    0.000
LGA    M   126_A      M   126_A    15.705     0    0.139   0.794    15.705    0.000    0.000
LGA    D   127_A      D   127_A    15.270     0    0.696   0.996    21.111    0.000    0.000
LGA    E   128_A      E   128_A    11.951     0    0.077   1.045    13.267    0.000    0.000
LGA    A   129_A      A   129_A    12.520     0    0.233   0.257    13.437    0.000    0.000
LGA    F   130_A      F   130_A    11.309     0    0.592   0.520    11.902    0.000    0.000
LGA    S   131_A      S   131_A    11.939     0    0.107   0.691    15.149    0.000    0.000
LGA    I   132_A      I   132_A    11.550     0    0.111   0.122    12.510    0.000    0.000
LGA    S   133_A      S   133_A    13.859     0    0.462   0.747    14.943    0.000    0.000
LGA    L   134_A      L   134_A    12.416     0    0.040   1.434    14.109    0.000    0.000
LGA    E   135_A      E   135_A    17.609     0    0.562   1.172    24.621    0.000    0.000
LGA    Q   136_A      Q   136_A    19.357     0    0.530   0.974    24.129    0.000    0.000
LGA    T   137_A      T   137_A    14.508     0    0.611   0.549    16.473    0.000    0.000
LGA    E   138_A      E   138_A    10.912     0    0.529   0.832    12.058    0.119    2.063
LGA    E   139_A      E   139_A    12.207     0    0.579   0.989    19.612    0.000    0.000
LGA    L   140_A      L   140_A    10.371     0    0.633   0.519    13.717    3.214    1.607
LGA    T   141_A      T   141_A     8.215     0    0.407   1.259    11.965   10.595    6.054
LGA    E   142_A      E   142_A     1.711     0    0.055   0.690     6.359   61.905   53.280
LGA    M   143_A      M   143_A     1.354     0    0.040   0.977     3.029   77.143   67.202
LGA    F   144_A      F   144_A     2.313     0    0.092   0.185     3.871   70.952   55.801
LGA    Y   145_A      Y   145_A     2.432     0    0.045   1.270    14.058   64.762   27.897
LGA    E   146_A      E   146_A     2.285     0    0.184   1.225     4.922   63.095   56.085
LGA    L   147_A      L   147_A     1.570     0    0.064   1.394     4.868   77.143   69.881
LGA    G   148_A      G   148_A     0.949     0    0.100   0.100     1.667   81.548   81.548
LGA    R   149_A      R   149_A     2.079     0    0.136   1.130     4.269   67.024   57.316
LGA    F   150_A      F   150_A     2.462     0    0.200   0.207     4.107   64.762   54.935
LGA    V   151_A      V   151_A     2.723     0    0.640   0.559     3.897   55.595   51.293
LGA    V   152_A      V   152_A     2.595     0    0.658   1.469     6.757   52.143   40.680
LGA    D   153_A      D   153_A     7.522     0    0.116   0.745    10.502   10.833    5.476
LGA    G   154_A      G   154_A     7.049     0    0.637   0.637     7.049   23.214   23.214
LGA    T   155_A      T   155_A     5.317     0    0.129   1.145     9.525   23.810   17.551
LGA    K   156_A      K   156_A     4.628     0    0.620   1.108     8.972   48.214   27.778
LGA    G   157_A      G   157_A     2.752     0    0.629   0.629     3.586   65.833   65.833
LGA    E   158_A      E   158_A     3.589     0    0.729   0.995    11.272   53.690   27.407
LGA    Q   159_A      Q   159_A     3.325     0    0.680   1.077     9.210   45.357   28.995
LGA    G   160_A      G   160_A     7.836     0    0.105   0.105     9.897    8.452    8.452
LGA    G   161_A      G   161_A     7.640     0    0.650   0.650     7.640   10.119   10.119
LGA    F   162_A      F   162_A     7.495     0    0.054   1.300    10.185    6.190    4.026
LGA    I   163_A      I   163_A     8.764     0    0.031   0.120     9.536    4.405    3.333
LGA    S   164_A      S   164_A    10.605     0    0.045   0.779    12.813    0.119    0.079
LGA    I   165_A      I   165_A    12.301     0    0.109   1.109    13.286    0.000    0.179
LGA    D   166_A      D   166_A    14.749     0    0.456   1.173    19.746    0.000    0.000
LGA    E   167_A      E   167_A    11.500     0    0.553   1.164    13.581    0.000    3.228
LGA    R   168_A      R   168_A    16.813     0    0.542   1.478    27.259    0.000    0.000
LGA    D   169_A      D   169_A    17.938     0    0.077   1.219    19.871    0.000    0.000
LGA    V   170_A      V   170_A    21.544     0    0.062   0.094    23.957    0.000    0.000
LGA    Y   171_A      Y   171_A    25.258     0    0.116   1.224    27.893    0.000    0.000
LGA    L   172_A      L   172_A    30.856     0    0.422   1.533    36.142    0.000    0.000
LGA    L   173_A      L   173_A    33.026     0    0.625   0.582    37.033    0.000    0.000
LGA    A   174_A      A   174_A    39.550     0    0.148   0.186    41.347    0.000    0.000
LGA    A   175_A      A   175_A    42.969     0    0.232   0.286    45.252    0.000    0.000
LGA    G   176_A      G   176_A    45.595     0    0.679   0.679    45.595    0.000    0.000
LGA    R   177_A      R   177_A    43.630     0    0.638   1.097    47.731    0.000    0.000
LGA    E   178_A      E   178_A    42.621     0    0.603   0.621    51.902    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       83     332    332  100.00     661    661  100.00               166
SUMMARY(RMSD_GDC):    14.562         14.468                 15.255            8.985    7.395

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   83  166    4.0     19    2.41    12.349    10.412     0.758

LGA_LOCAL      RMSD:   2.407  Number of atoms:   19  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  16.208  Number of assigned atoms:   83 
Std_ASGN_ATOMS RMSD:  14.562  Standard rmsd on all 83 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.049092 * X  +  -0.885098 * Y  +   0.462809 * Z  + 119.765228
  Y_new =  -0.420834 * X  +   0.438559 * Y  +   0.794081 * Z  + -90.523087
  Z_new =  -0.905808 * X  +  -0.155783 * Y  +  -0.394009 * Z  + 289.004547 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.686926  1.133283 -2.765076   [DEG:  -96.6537   64.9324 -158.4272 ]
ZXZ:  2.613899  1.975786 -1.741112   [DEG:  149.7654  113.2042  -99.7584 ]
 
# END of job
