
#######################################################
#                                                     #
#                        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  153 ( 1254),  selected   76 , name one
# Molecule2: number of CA atoms   76 (  627),  selected   76 , 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:    45       1_A - 45_A        4.91    12.00
  LCS_AVERAGE:     54.26

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    16      48_A - 63_A        1.67    14.16
  LONGEST_CONTINUOUS_SEGMENT:    16      49_A - 64_A        1.62    16.00
  LCS_AVERAGE:     14.35

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    15      49_A - 63_A        0.99    15.35
  LCS_AVERAGE:     11.81

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   76
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     M     1_A     M     1_A      4    7   45      3    4    5    8   11   15   20   25   28   32   34   39   42   42   44   45   48   50   52   54 
LCS_GDT     K     2_A     K     2_A      6    7   45      3    5    5    8   12   16   20   25   28   32   34   39   42   42   44   45   48   50   52   54 
LCS_GDT     I     3_A     I     3_A      6    7   45      3    6   11   12   17   18   20   25   28   32   34   39   42   42   44   45   50   50   54   57 
LCS_GDT     H     4_A     H     4_A      6    7   45      3    5    5    8    9   13   18   23   27   32   34   39   42   42   44   45   47   50   52   53 
LCS_GDT     E     5_A     E     5_A      6    7   45      3    5    5    8    9   10   13   20   26   30   33   39   42   42   44   45   48   50   52   53 
LCS_GDT     F     6_A     F     6_A      6    7   45      3    5    5    8    9   10   12   17   26   30   33   39   42   42   44   45   48   50   52   54 
LCS_GDT     G     7_A     G     7_A      6    7   45      3   11   14   15   17   18   19   21   24   27   33   39   42   42   44   45   48   50   52   55 
LCS_GDT     L     8_A     L     8_A      4    4   45      3    4    5    7   11   15   19   21   25   30   32   39   42   42   44   45   48   50   54   55 
LCS_GDT     A     9_A     A     9_A      4    4   45      3    4    7   11   16   18   19   24   28   32   34   39   42   42   44   47   49   52   55   58 
LCS_GDT     L    10_A     L    10_A      4    4   45      3    4    4    9   12   16   20   25   28   32   34   39   43   46   47   49   51   53   56   58 
LCS_GDT     F    11_A     F    11_A      4    4   45      3    4    4    8    8   13   18   25   28   32   34   39   43   46   47   49   51   53   56   58 
LCS_GDT     G    12_A     G    12_A      4    4   45      3    4    4    4    6   15   20   25   28   32   34   39   43   46   47   49   51   53   56   58 
LCS_GDT     E    13_A     E    13_A      4    4   45      4   12   13   13   16   17   20   25   28   32   34   39   43   46   47   49   51   53   56   58 
LCS_GDT     H    14_A     H    14_A      3    4   45      3    4    4    8   14   16   20   25   28   32   34   39   43   46   47   49   51   53   56   58 
LCS_GDT     Y    15_A     Y    15_A      3   10   45      3    7   14   15   16   17   19   25   28   32   34   39   43   46   47   49   51   53   56   58 
LCS_GDT     S    16_A     S    16_A      9   10   45      4    8    9    9   10   10   10   18   26   29   33   39   43   46   47   49   51   53   56   58 
LCS_GDT     A    17_A     A    17_A      9   10   45      4    8    9    9   10   10   13   17   26   28   33   39   43   46   47   49   51   53   56   58 
LCS_GDT     N    18_A     N    18_A      9   10   45      4    8    9    9   11   16   20   25   28   32   34   39   43   46   47   49   51   53   56   58 
LCS_GDT     Q    19_A     Q    19_A      9   10   45      4    8   14   15   16   17   20   25   28   32   34   39   43   46   47   49   51   53   56   58 
LCS_GDT     F    20_A     F    20_A      9   10   45      5    8    9   11   16   17   20   25   28   32   34   39   43   46   47   49   51   53   56   58 
LCS_GDT     A    21_A     A    21_A      9   10   45      5    8    9    9   11   12   19   25   28   32   34   39   43   46   47   49   51   53   56   58 
LCS_GDT     K    22_A     K    22_A      9   10   45      5    8    9    9   10   10   17   25   28   32   34   39   42   44   47   49   51   53   56   58 
LCS_GDT     I    23_A     I    23_A      9   10   45      5    8    9    9   11   16   20   25   28   32   34   39   42   42   45   48   51   53   56   58 
LCS_GDT     L    24_A     L    24_A      9   10   45      5    8    9   15   16   17   20   25   28   32   34   39   42   44   47   49   51   53   56   58 
LCS_GDT     I    25_A     I    25_A      4   10   45      2    3    4    8   10   12   17   25   28   32   34   39   42   44   47   49   51   53   56   58 
LCS_GDT     N    26_A     N    26_A      4    7   45      3    3    6    6    8   11   17   20   27   32   33   39   42   42   44   45   50   53   53   56 
LCS_GDT     K    27_A     K    27_A      4    7   45      3    3    6    6    8    9   12   14   18   24   30   35   40   41   44   45   48   50   52   53 
LCS_GDT     D    28_A     D    28_A      4    7   45      3    4    5    6    8    9   12   13   18   23   26   28   32   41   44   45   48   50   52   53 
LCS_GDT     G    29_A     G    29_A      4    7   45      3    5    6    6    8   10   13   20   26   30   33   39   42   42   44   45   48   50   52   53 
LCS_GDT     S    30_A     S    30_A      4    7   45      3    5    6    6    9   14   20   25   28   32   34   39   42   42   45   48   51   53   56   58 
LCS_GDT     N    31_A     N    31_A      4    7   45      3    5    6    6    8    9   12   17   25   28   34   38   42   42   45   48   51   53   56   58 
LCS_GDT     V    32_A     V    32_A      4   13   45      3    5    5    8   11   14   16   17   24   32   34   37   42   44   47   49   51   53   56   58 
LCS_GDT     D    33_A     D    33_A     12   13   45      4   12   14   15   16   17   20   25   27   32   34   39   43   46   47   49   51   53   56   58 
LCS_GDT     R    34_A     R    34_A     12   13   45      9   12   14   15   16   17   20   25   28   32   34   39   43   46   47   49   51   53   56   58 
LCS_GDT     K    35_A     K    35_A     12   13   45      9   12   14   15   16   17   20   25   28   32   34   39   43   46   47   49   51   53   56   58 
LCS_GDT     T    36_A     T    36_A     12   13   45      9   12   14   15   16   20   21   25   28   32   34   39   43   46   47   49   51   53   56   58 
LCS_GDT     I    37_A     I    37_A     12   13   45      9   12   14   15   16   20   21   25   28   32   34   39   43   46   47   49   51   53   56   58 
LCS_GDT     Q    38_A     Q    38_A     12   13   45      9   12   14   15   16   20   21   25   28   32   34   39   43   46   47   49   51   53   56   58 
LCS_GDT     N    39_A     N    39_A     12   13   45      9   12   14   15   16   20   21   25   28   32   34   39   43   46   47   49   51   53   56   58 
LCS_GDT     W    40_A     W    40_A     12   13   45      9   12   14   15   16   18   20   25   28   32   34   39   43   46   47   49   51   53   56   58 
LCS_GDT     I    41_A     I    41_A     12   13   45      9   12   14   15   16   17   20   25   28   32   34   39   43   46   47   49   51   53   56   58 
LCS_GDT     N    42_A     N    42_A     12   13   45      9   12   14   15   16   17   20   25   28   32   34   39   43   46   47   49   51   53   56   58 
LCS_GDT     R    43_A     R    43_A     12   13   45      5   12   14   15   16   17   20   25   28   32   34   39   42   44   45   48   50   53   54   57 
LCS_GDT     D    44_A     D    44_A     12   13   45      6   12   14   15   16   17   20   25   28   32   34   39   42   44   45   48   51   53   56   58 
LCS_GDT     Q    45_A     Q    45_A      3    4   45      3    3    4    5    5    8   13   20   25   28   33   39   43   46   47   49   51   53   56   58 
LCS_GDT     D    46_A     D    46_A      3    8   38      3    3    6   10   15   20   21   24   25   29   33   39   43   46   47   49   51   53   56   58 
LCS_GDT     L    47_A     L    47_A      3    8   38      3    3    4    5    9   13   20   24   25   29   33   39   43   46   47   49   51   53   56   58 
LCS_GDT     N    48_A     N    48_A      3   16   38      3    3    4    5    7   15   21   24   25   29   32   34   40   46   47   48   51   53   56   58 
LCS_GDT     D    49_A     D    49_A     15   16   38      3    5   13   15   17   20   21   24   25   29   33   38   43   46   47   49   51   53   56   58 
LCS_GDT     W    50_A     W    50_A     15   16   38      3   12   14   15   17   20   21   24   25   29   33   38   43   46   47   49   51   53   56   58 
LCS_GDT     V    51_A     V    51_A     15   16   38      8   12   14   15   17   20   21   24   25   29   33   39   43   46   47   49   51   53   56   58 
LCS_GDT     I    52_A     I    52_A     15   16   38      8   12   14   15   17   20   21   24   25   29   33   39   43   46   47   49   51   53   56   58 
LCS_GDT     V    53_A     V    53_A     15   16   38      6   12   14   15   17   20   21   24   25   29   33   38   43   46   47   49   51   53   56   58 
LCS_GDT     Q    54_A     Q    54_A     15   16   38      8   12   14   15   17   20   21   24   25   29   33   39   43   46   47   49   51   53   56   58 
LCS_GDT     L    55_A     L    55_A     15   16   38      8   12   14   15   17   20   21   24   25   29   33   39   43   46   47   49   51   53   56   58 
LCS_GDT     K    56_A     K    56_A     15   16   38      8   12   14   15   17   20   21   24   25   29   33   39   43   46   47   49   51   53   56   58 
LCS_GDT     E    57_A     E    57_A     15   16   38      8   12   14   15   17   20   21   24   25   29   33   39   43   46   47   49   51   53   56   58 
LCS_GDT     E    58_A     E    58_A     15   16   38      8   12   14   15   17   20   21   24   25   29   33   39   43   46   47   49   51   53   56   58 
LCS_GDT     L    59_A     L    59_A     15   16   38      6   12   14   15   17   20   21   24   25   29   33   39   43   46   47   49   51   53   56   58 
LCS_GDT     L    60_A     L    60_A     15   16   38      6   12   14   15   17   20   21   24   25   29   33   39   43   46   47   49   51   53   56   58 
LCS_GDT     K    61_A     K    61_A     15   16   38      6   12   14   15   17   20   21   24   25   29   33   39   43   46   47   49   51   53   56   58 
LCS_GDT     R    62_A     R    62_A     15   16   38      8   12   14   15   17   20   21   24   25   29   33   39   43   46   47   49   51   53   56   58 
LCS_GDT     E    63_A     E    63_A     15   16   38      1    6   14   15   17   20   21   24   25   29   33   39   43   46   47   49   51   53   56   58 
LCS_GDT     V    64_A     V    64_A     10   16   38      5    9    9   12   14   18   19   23   25   28   33   39   43   46   47   49   51   53   56   58 
LCS_GDT     I    65_A     I    65_A     10   12   38      6    9    9   12   12   12   12   13   13   18   33   39   43   46   47   49   51   53   56   58 
LCS_GDT     L    66_A     L    66_A     10   12   38      6    9    9   12   12   12   17   24   25   29   32   39   43   46   47   49   51   53   56   58 
LCS_GDT     K    67_A     K    67_A     10   12   38      6    9    9   12   15   18   19   24   25   29   32   35   43   46   47   49   51   53   56   58 
LCS_GDT     N    68_A     N    68_A     10   12   38      6    9    9   12   12   12   17   23   25   29   32   38   43   46   47   49   51   53   56   58 
LCS_GDT     L    69_A     L    69_A     10   12   38      6    9    9   12   12   12   12   13   16   22   25   29   35   39   44   47   51   52   56   58 
LCS_GDT     L    70_A     L    70_A     10   12   38      6    9    9   12   12   12   12   18   20   26   28   31   36   40   44   47   50   52   55   58 
LCS_GDT     T    71_A     T    71_A     10   12   38      6    9    9   12   12   12   12   15   18   22   27   31   35   39   44   47   50   52   56   58 
LCS_GDT     N    72_A     N    72_A     10   12   35      3    9    9   12   12   12   12   13   13   14   16   19   21   27   29   40   45   48   51   55 
LCS_GDT     L    73_A     L    73_A     10   12   29      3    6    9   12   12   12   12   13   13   14   16   19   21   24   28   30   34   41   43   48 
LCS_GDT     S    74_A     S    74_A     10   12   21      3    6    9   12   12   12   12   13   13   14   16   20   22   27   30   34   38   41   43   44 
LCS_GDT     Q    75_A     Q    75_A      4   12   18      3    4    4    4    6    8   11   13   13   14   14   16   17   18   22   23   25   26   29   30 
LCS_GDT     A    76_A     A    76_A      4    7   18      3    4    4    5    6    8   11   13   13   14   15   16   17   18   21   23   24   24   26   29 
LCS_AVERAGE  LCS_A:  26.81  (  11.81   14.35   54.26 )

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      9     12     14     15     17     20     21     25     28     32     34     39     43     46     47     49     51     53     56     58 
GDT PERCENT_AT  11.84  15.79  18.42  19.74  22.37  26.32  27.63  32.89  36.84  42.11  44.74  51.32  56.58  60.53  61.84  64.47  67.11  69.74  73.68  76.32
GDT RMS_LOCAL    0.36   0.53   0.69   0.86   1.26   2.11   2.21   2.72   3.08   3.34   3.50   4.10   4.52   4.71   4.85   5.25   5.50   5.65   6.20   6.41
GDT RMS_ALL_AT  11.81  12.24  15.86  16.17  16.52  12.28  12.31  12.12  11.81  11.84  12.01  12.03  11.56  11.47  11.39  11.07  10.97  11.07  10.48  10.33

# Checking swapping
#   possible swapping detected:  E     5_A      E     5_A
#   possible swapping detected:  F     6_A      F     6_A
#   possible swapping detected:  F    11_A      F    11_A
#   possible swapping detected:  E    13_A      E    13_A
#   possible swapping detected:  Y    15_A      Y    15_A
#   possible swapping detected:  D    28_A      D    28_A
#   possible swapping detected:  D    33_A      D    33_A
#   possible swapping detected:  D    46_A      D    46_A
#   possible swapping detected:  D    49_A      D    49_A
#   possible swapping detected:  E    63_A      E    63_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    M     1_A      M     1_A     5.819     0    0.056   1.102    10.422   30.833   17.679
LGA    K     2_A      K     2_A     3.799     0    0.096   0.794     6.674   36.071   29.788
LGA    I     3_A      I     3_A     2.954     0    0.089   1.206     4.891   45.714   48.452
LGA    H     4_A      H     4_A     6.924     0    0.068   1.049    13.345   11.429    5.476
LGA    E     5_A      E     5_A    10.029     0    0.133   0.155    14.032    1.190    0.529
LGA    F     6_A      F     6_A     9.097     0    0.067   1.246    10.032    1.905    3.074
LGA    G     7_A      G     7_A     8.740     0    0.477   0.477     9.147    2.976    2.976
LGA    L     8_A      L     8_A     8.768     0    0.095   1.361    11.295    3.810    3.512
LGA    A     9_A      A     9_A     6.179     0    0.142   0.144     6.739   21.667   20.000
LGA    L    10_A      L    10_A     3.510     0    0.130   1.141     8.181   45.119   36.488
LGA    F    11_A      F    11_A     5.753     0    0.440   1.534    11.874   22.500   10.909
LGA    G    12_A      G    12_A     3.967     0    0.089   0.089     3.967   58.095   58.095
LGA    E    13_A      E    13_A     1.826     0    0.115   1.025     9.529   70.833   38.730
LGA    H    14_A      H    14_A     2.468     0    0.405   1.339     9.340   69.048   37.571
LGA    Y    15_A      Y    15_A     3.349     0    0.654   1.383    10.815   47.381   19.603
LGA    S    16_A      S    16_A     5.728     0    0.642   0.580     7.144   29.048   22.698
LGA    A    17_A      A    17_A     6.048     0    0.086   0.084     7.610   26.786   22.857
LGA    N    18_A      N    18_A     3.695     0    0.124   0.890     8.209   50.595   33.095
LGA    Q    19_A      Q    19_A     1.768     0    0.104   0.752     6.381   72.976   51.693
LGA    F    20_A      F    20_A     3.115     0    0.034   1.130     5.907   57.262   37.143
LGA    A    21_A      A    21_A     4.104     0    0.116   0.122     5.658   41.905   37.810
LGA    K    22_A      K    22_A     4.762     0    0.218   0.876     8.544   33.333   22.857
LGA    I    23_A      I    23_A     3.936     0    0.179   1.334     7.621   45.119   34.464
LGA    L    24_A      L    24_A     2.292     0    0.592   1.486     4.104   66.786   61.429
LGA    I    25_A      I    25_A     4.942     0    0.674   1.147     9.067   32.857   18.452
LGA    N    26_A      N    26_A     7.047     0    0.074   0.314     8.319   10.833    8.750
LGA    K    27_A      K    27_A    11.370     0    0.639   0.726    19.813    0.357    0.159
LGA    D    28_A      D    28_A    13.640     0    0.190   0.676    15.032    0.000    0.000
LGA    G    29_A      G    29_A    11.076     0    0.504   0.504    11.265    0.476    0.476
LGA    S    30_A      S    30_A     6.530     0    0.144   0.315     7.598   13.690   20.556
LGA    N    31_A      N    31_A     7.606     0    0.680   1.250    11.628   10.952    6.607
LGA    V    32_A      V    32_A     6.109     0    0.574   0.569     8.698   18.810   14.490
LGA    D    33_A      D    33_A     3.434     0    0.625   1.214     8.413   57.262   36.786
LGA    R    34_A      R    34_A     2.239     0    0.106   1.384     9.341   66.905   42.511
LGA    K    35_A      K    35_A     1.658     0    0.100   0.936     6.550   79.405   54.815
LGA    T    36_A      T    36_A     1.478     0    0.036   0.195     2.750   81.548   73.265
LGA    I    37_A      I    37_A     1.108     0    0.040   1.125     3.019   85.952   75.655
LGA    Q    38_A      Q    38_A     1.493     0    0.046   1.282     5.206   79.286   66.667
LGA    N    39_A      N    39_A     1.150     0    0.039   0.883     4.717   81.429   66.488
LGA    W    40_A      W    40_A     0.841     0    0.070   1.195     8.469   88.214   58.776
LGA    I    41_A      I    41_A     1.275     0    0.033   0.227     2.211   77.381   78.333
LGA    N    42_A      N    42_A     1.913     0    0.043   0.187     2.369   68.810   70.893
LGA    R    43_A      R    43_A     2.110     0    0.257   1.052     8.719   57.976   38.182
LGA    D    44_A      D    44_A     3.480     0    0.441   1.415     7.382   33.571   37.679
LGA    Q    45_A      Q    45_A    10.675     0    0.548   1.093    16.449    1.786    0.794
LGA    D    46_A      D    46_A    14.773     0    0.701   0.599    17.821    0.000    0.000
LGA    L    47_A      L    47_A    16.047     0    0.643   0.524    19.023    0.000    0.000
LGA    N    48_A      N    48_A    20.119     0    0.330   1.134    26.005    0.000    0.000
LGA    D    49_A      D    49_A    20.791     0    0.619   0.983    24.399    0.000    0.000
LGA    W    50_A      W    50_A    20.076     0    0.138   1.537    23.259    0.000    0.000
LGA    V    51_A      V    51_A    13.737     0    0.057   0.125    15.788    0.000    0.068
LGA    I    52_A      I    52_A    13.835     0    0.031   1.126    16.265    0.000    0.000
LGA    V    53_A      V    53_A    18.945     0    0.053   0.336    22.956    0.000    0.000
LGA    Q    54_A      Q    54_A    17.839     0    0.083   0.831    20.912    0.000    0.000
LGA    L    55_A      L    55_A    11.580     0    0.037   1.407    13.627    0.000    3.512
LGA    K    56_A      K    56_A    14.558     0    0.044   0.989    21.628    0.000    0.000
LGA    E    57_A      E    57_A    19.126     0    0.056   0.895    27.084    0.000    0.000
LGA    E    58_A      E    58_A    15.115     0    0.039   1.009    19.909    0.000    0.000
LGA    L    59_A      L    59_A     9.708     0    0.062   0.089    11.520    0.119   10.119
LGA    L    60_A      L    60_A    15.064     0    0.065   0.981    17.838    0.000    0.000
LGA    K    61_A      K    61_A    18.598     0    0.199   0.594    27.653    0.000    0.000
LGA    R    62_A      R    62_A    13.817     0    0.050   1.094    17.531    0.000    0.000
LGA    E    63_A      E    63_A    11.982     0    0.602   0.935    12.865    0.000    0.000
LGA    V    64_A      V    64_A    13.716     0    0.193   0.213    14.819    0.000    0.000
LGA    I    65_A      I    65_A    13.998     0    0.282   0.285    16.890    0.000    0.000
LGA    L    66_A      L    66_A     8.549     0    0.053   1.239     9.705    2.143    7.500
LGA    K    67_A      K    67_A     7.276     0    0.098   0.828     9.735    4.762   21.323
LGA    N    68_A      N    68_A    13.479     0    0.146   0.881    18.685    0.000    0.000
LGA    L    69_A      L    69_A    16.400     0    0.079   0.085    20.713    0.000    0.000
LGA    L    70_A      L    70_A    14.023     0    0.063   0.156    16.347    0.000    0.179
LGA    T    71_A      T    71_A    15.920     0    0.129   1.157    20.388    0.000    0.000
LGA    N    72_A      N    72_A    22.583     0    0.102   0.276    25.996    0.000    0.000
LGA    L    73_A      L    73_A    23.320     0    0.281   1.255    25.624    0.000    0.000
LGA    S    74_A      S    74_A    23.402     0    0.601   0.765    27.579    0.000    0.000
LGA    Q    75_A      Q    75_A    28.413     0    0.543   1.120    32.547    0.000    0.000
LGA    A    76_A      A    76_A    33.271     0    0.764   0.725    35.696    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       76     304    304  100.00     627    627  100.00                76
SUMMARY(RMSD_GDC):     9.422          9.328                 10.345           24.301   19.342

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  153   76    4.0     25    2.72    33.224    28.813     0.886

LGA_LOCAL      RMSD:   2.720  Number of atoms:   25  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  12.124  Number of assigned atoms:   76 
Std_ASGN_ATOMS RMSD:   9.422  Standard rmsd on all 76 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.347577 * X  +  -0.373725 * Y  +   0.859953 * Z  +   0.828269
  Y_new =   0.403939 * X  +   0.887348 * Y  +   0.222366 * Z  +  10.354708
  Z_new =  -0.846182 * X  +   0.270079 * Y  +   0.459384 * Z  +  18.271042 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.860255  1.008779  0.531487   [DEG:   49.2890   57.7988   30.4520 ]
ZXZ:  1.823833  1.093495 -1.261842   [DEG:  104.4979   62.6526  -72.2982 ]
 
# END of job
