
#######################################################
#                                                     #
#                        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:    40       5_A - 44_A        5.00    14.93
  LONGEST_CONTINUOUS_SEGMENT:    40       6_A - 45_A        4.99    14.84
  LCS_AVERAGE:     44.56

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    16      47_A - 62_A        1.74    22.12
  LONGEST_CONTINUOUS_SEGMENT:    16      48_A - 63_A        1.63    22.18
  LCS_AVERAGE:     15.44

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    15      48_A - 62_A        0.84    21.55
  LCS_AVERAGE:     12.53

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      3    3   26      0    3    4    4    4    7    9   14   17   20   24   24   25   30   31   32   36   39   42   44 
LCS_GDT     K     2_A     K     2_A      7    8   30      3    3    5    7    8   10   10   12   18   19   24   26   27   35   38   42   47   49   51   54 
LCS_GDT     I     3_A     I     3_A      7    8   30      3    6    6    7    9   11   15   19   22   26   30   36   40   40   41   43   47   49   51   54 
LCS_GDT     H     4_A     H     4_A      7    8   30      3    6    6    7    9   11   14   19   22   26   30   36   40   40   41   43   47   49   51   54 
LCS_GDT     E     5_A     E     5_A      7    8   40      3    6    6    7    9   10   14   19   22   26   30   36   40   40   41   43   47   49   51   54 
LCS_GDT     F     6_A     F     6_A      7    8   40      3    6    6   10   15   18   19   23   25   27   30   36   40   40   41   43   47   49   51   54 
LCS_GDT     G     7_A     G     7_A      7    8   40      3    6    6    7    9   15   18   20   25   27   30   36   40   40   41   43   47   49   51   54 
LCS_GDT     L     8_A     L     8_A      7    8   40      3    6    6   10   17   18   19   20   23   26   29   30   31   32   35   40   41   44   46   47 
LCS_GDT     A     9_A     A     9_A      3    8   40      3    9   12   15   17   18   19   20   23   27   30   36   40   40   41   43   43   46   50   54 
LCS_GDT     L    10_A     L    10_A      4    5   40      3    3    4   11   18   18   19   23   25   27   30   36   40   40   41   43   47   49   51   54 
LCS_GDT     F    11_A     F    11_A      4    5   40      6   13   15   16   18   18   19   23   25   27   30   36   40   40   41   43   47   49   51   54 
LCS_GDT     G    12_A     G    12_A      4    5   40      3    3    4   13   18   18   19   23   25   27   30   36   40   40   41   43   47   49   51   54 
LCS_GDT     E    13_A     E    13_A      4    5   40      3    3    5    5    7   10   13   17   22   25   30   36   40   40   41   43   47   49   51   54 
LCS_GDT     H    14_A     H    14_A      3    5   40      3    3    5    5    7   10   12   14   19   25   30   36   40   40   41   43   47   49   51   54 
LCS_GDT     Y    15_A     Y    15_A      3   10   40      0    3   12   14   14   15   16   17   19   23   28   34   40   40   41   43   47   49   51   54 
LCS_GDT     S    16_A     S    16_A      9   10   40      6    9    9    9    9   10   14   15   19   23   23   26   30   37   40   42   47   49   51   54 
LCS_GDT     A    17_A     A    17_A      9   10   40      6    9    9    9    9   10   11   15   16   19   21   25   28   33   39   42   43   48   51   54 
LCS_GDT     N    18_A     N    18_A      9   10   40      6    9    9    9    9   10   11   18   21   25   30   36   40   40   41   43   47   49   51   54 
LCS_GDT     Q    19_A     Q    19_A      9   10   40      6    9    9    9    9   10   12   18   22   25   30   36   40   40   41   43   47   49   51   54 
LCS_GDT     F    20_A     F    20_A      9   10   40      6    9    9    9    9   10   12   15   21   25   30   36   40   40   41   43   47   49   51   54 
LCS_GDT     A    21_A     A    21_A      9   10   40      6    9    9    9   13   17   18   21   24   26   30   36   40   40   41   43   47   49   51   54 
LCS_GDT     K    22_A     K    22_A      9   10   40      5   13   15   16   18   18   19   23   25   27   30   36   40   40   41   43   46   49   51   54 
LCS_GDT     I    23_A     I    23_A      9   10   40      4    9    9   16   18   18   19   22   25   27   30   36   40   40   41   43   44   46   50   54 
LCS_GDT     L    24_A     L    24_A      9   10   40      4    9   15   16   18   18   19   23   25   27   30   36   40   40   41   43   46   49   51   54 
LCS_GDT     I    25_A     I    25_A      3   10   40      3    3    3    6    9   14   19   23   25   27   30   36   40   40   41   43   44   46   50   54 
LCS_GDT     N    26_A     N    26_A      3    6   40      3    4    4    8   14   16   19   23   25   27   30   36   40   40   41   43   43   46   50   54 
LCS_GDT     K    27_A     K    27_A      3    6   40      3    4    5    8   14   16   19   23   25   27   30   36   40   40   41   43   43   46   50   54 
LCS_GDT     D    28_A     D    28_A      3    6   40      3    4    4    5    6    7   13   23   25   27   29   36   40   40   41   43   43   46   50   54 
LCS_GDT     G    29_A     G    29_A      3    6   40      3    3    4    5    6    7   11   15   18   26   29   35   40   40   41   43   43   46   50   52 
LCS_GDT     S    30_A     S    30_A      3    6   40      3    4    4    5    6   12   19   23   25   27   30   36   40   40   41   43   43   46   50   54 
LCS_GDT     N    31_A     N    31_A      3    6   40      3    3    4    4    6   11   16   22   25   27   29   36   40   40   41   43   43   46   50   54 
LCS_GDT     V    32_A     V    32_A      3   13   40      3    3    4    4    5   12   15   18   25   27   30   36   40   40   41   43   43   46   50   54 
LCS_GDT     D    33_A     D    33_A     12   13   40      6   12   15   16   18   18   19   23   25   27   30   36   40   40   41   43   46   49   51   54 
LCS_GDT     R    34_A     R    34_A     12   13   40      8   13   15   16   18   18   19   23   25   27   30   36   40   40   41   43   47   49   51   54 
LCS_GDT     K    35_A     K    35_A     12   13   40      8   13   15   16   18   18   19   23   25   27   30   36   40   40   41   43   47   49   51   54 
LCS_GDT     T    36_A     T    36_A     12   13   40      8   13   15   16   18   18   19   23   25   27   30   36   40   40   41   43   47   49   51   54 
LCS_GDT     I    37_A     I    37_A     12   13   40      8   13   15   16   18   18   19   23   25   27   30   36   40   40   41   43   47   49   51   54 
LCS_GDT     Q    38_A     Q    38_A     12   13   40      8   13   15   16   18   18   19   23   25   27   30   36   40   40   41   43   47   49   51   54 
LCS_GDT     N    39_A     N    39_A     12   13   40      8   13   15   16   18   18   19   23   25   27   30   36   40   40   41   43   47   49   51   54 
LCS_GDT     W    40_A     W    40_A     12   13   40      8   13   15   16   18   18   19   23   25   27   30   36   40   40   41   43   47   49   51   54 
LCS_GDT     I    41_A     I    41_A     12   13   40      8   13   15   16   18   18   19   23   25   27   30   36   40   40   41   43   47   49   51   54 
LCS_GDT     N    42_A     N    42_A     12   13   40      7   13   15   16   18   18   19   23   25   27   30   36   40   40   41   43   47   49   51   54 
LCS_GDT     R    43_A     R    43_A     12   13   40      4   13   15   16   18   18   19   23   25   27   30   36   40   40   41   43   47   48   51   54 
LCS_GDT     D    44_A     D    44_A     12   13   40      7   13   15   16   18   18   19   23   25   27   30   36   40   40   41   43   43   46   50   54 
LCS_GDT     Q    45_A     Q    45_A      3   13   40      3    3    4    5    9   12   15   21   25   26   30   36   40   40   41   43   47   49   51   54 
LCS_GDT     D    46_A     D    46_A      3    5   38      3    3    4    7   10   14   19   20   23   26   27   32   34   39   41   43   47   49   51   54 
LCS_GDT     L    47_A     L    47_A      3   16   30      3    3    4    5    5    8   13   16   18   20   24   28   30   33   38   41   47   49   51   54 
LCS_GDT     N    48_A     N    48_A     15   16   29      3   10   15   15   17   18   19   20   23   26   29   30   33   36   39   42   47   49   51   54 
LCS_GDT     D    49_A     D    49_A     15   16   29      8   10   15   15   17   18   19   20   23   26   29   30   33   36   39   42   47   49   51   54 
LCS_GDT     W    50_A     W    50_A     15   16   29      8   10   15   15   17   18   19   20   23   26   29   30   31   33   38   42   47   49   51   52 
LCS_GDT     V    51_A     V    51_A     15   16   29      8   10   15   15   17   18   19   20   23   26   29   30   33   36   39   42   47   49   51   54 
LCS_GDT     I    52_A     I    52_A     15   16   29      8   11   15   15   17   18   19   20   23   26   29   31   34   36   39   42   47   49   51   54 
LCS_GDT     V    53_A     V    53_A     15   16   29      8   11   15   15   17   18   19   20   23   26   29   30   31   33   38   42   47   49   51   52 
LCS_GDT     Q    54_A     Q    54_A     15   16   29      8   11   15   15   17   18   19   20   23   26   29   30   31   35   38   42   47   49   51   52 
LCS_GDT     L    55_A     L    55_A     15   16   29      8   11   15   15   17   18   19   20   23   26   29   31   34   36   39   42   47   49   51   54 
LCS_GDT     K    56_A     K    56_A     15   16   29      8   11   15   15   17   18   19   20   23   26   29   30   33   36   39   42   47   49   51   54 
LCS_GDT     E    57_A     E    57_A     15   16   29      8   11   15   15   17   18   19   20   23   26   29   30   31   33   38   42   47   49   51   52 
LCS_GDT     E    58_A     E    58_A     15   16   29      4   11   15   15   17   18   19   20   23   26   29   30   33   36   39   42   47   49   51   54 
LCS_GDT     L    59_A     L    59_A     15   16   29      4   11   15   15   17   18   19   20   23   26   29   32   34   36   40   43   47   49   51   54 
LCS_GDT     L    60_A     L    60_A     15   16   29      4   11   15   15   17   18   19   20   23   26   29   30   33   36   39   42   47   49   51   54 
LCS_GDT     K    61_A     K    61_A     15   16   29      5   11   15   15   17   18   19   20   23   26   29   30   33   36   39   42   47   49   51   54 
LCS_GDT     R    62_A     R    62_A     15   16   29      5   11   15   15   17   18   19   20   23   26   29   31   34   36   39   42   47   49   51   54 
LCS_GDT     E    63_A     E    63_A     13   16   27      4   10   13   14   14   17   18   21   22   26   29   33   36   38   41   43   47   49   51   54 
LCS_GDT     V    64_A     V    64_A     13   15   27      4   11   13   14   14   15   16   17   21   26   29   31   34   36   39   42   47   49   51   54 
LCS_GDT     I    65_A     I    65_A     13   15   27      4   11   13   14   14   15   16   17   17   20   24   28   30   32   37   40   45   46   49   54 
LCS_GDT     L    66_A     L    66_A     13   15   25      4   11   13   14   14   15   16   17   19   23   23   28   30   32   38   40   44   46   49   54 
LCS_GDT     K    67_A     K    67_A     13   15   25      7   11   13   14   14   15   16   17   19   23   23   26   28   32   35   39   43   46   49   54 
LCS_GDT     N    68_A     N    68_A     13   15   24      7   11   13   14   14   15   16   17   17   20   22   25   26   28   31   34   40   45   48   51 
LCS_GDT     L    69_A     L    69_A     13   15   20      7   11   13   14   14   15   16   17   17   20   20   22   26   28   30   32   36   39   42   45 
LCS_GDT     L    70_A     L    70_A     13   15   20      7   11   13   14   14   15   16   17   17   20   20   21   23   28   30   32   36   39   42   45 
LCS_GDT     T    71_A     T    71_A     13   15   20      7   11   13   14   14   15   16   17   17   20   20   23   26   28   30   32   36   39   42   44 
LCS_GDT     N    72_A     N    72_A     13   15   20      7   11   13   14   14   15   16   17   17   20   20   21   22   23   26   28   29   31   34   37 
LCS_GDT     L    73_A     L    73_A     13   15   20      7   11   13   14   14   15   16   17   17   20   20   21   22   23   24   26   27   27   33   34 
LCS_GDT     S    74_A     S    74_A     13   15   20      5   11   13   14   14   15   16   17   17   20   20   21   22   23   24   26   29   32   33   35 
LCS_GDT     Q    75_A     Q    75_A      4   15   20      3    3    4    4    7   10   14   17   17   20   20   21   22   23   24   26   27   32   33   33 
LCS_GDT     A    76_A     A    76_A      4   15   20      3    3    4    7   12   15   16   17   17   20   20   21   22   23   24   26   26   27   28   30 
LCS_AVERAGE  LCS_A:  24.18  (  12.53   15.44   44.56 )

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      8     13     15     16     18     18     19     23     25     27     30     36     40     40     41     43     47     49     51     54 
GDT PERCENT_AT  10.53  17.11  19.74  21.05  23.68  23.68  25.00  30.26  32.89  35.53  39.47  47.37  52.63  52.63  53.95  56.58  61.84  64.47  67.11  71.05
GDT RMS_LOCAL    0.26   0.74   0.84   1.02   1.35   1.35   1.93   2.69   2.90   3.15   3.67   4.25   4.60   4.60   4.76   5.02   5.91   6.03   6.19   6.70
GDT RMS_ALL_AT  13.78  14.03  21.55  14.16  14.38  14.38  14.48  14.25  14.36  14.55  14.46  14.59  14.67  14.67  14.42  13.87  14.05  13.64  13.75  12.20

# Checking swapping
#   possible swapping detected:  E    13_A      E    13_A
#   possible swapping detected:  F    20_A      F    20_A
#   possible swapping detected:  D    28_A      D    28_A
#   possible swapping detected:  D    33_A      D    33_A
#   possible swapping detected:  D    44_A      D    44_A
#   possible swapping detected:  D    46_A      D    46_A
#   possible swapping detected:  D    49_A      D    49_A
#   possible swapping detected:  E    58_A      E    58_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    M     1_A      M     1_A    18.820     0    0.616   1.429    21.344    0.000    0.000
LGA    K     2_A      K     2_A    13.098     0    0.622   0.944    21.536    0.357    0.159
LGA    I     3_A      I     3_A     7.500     0    0.023   1.261     9.635   13.452   10.179
LGA    H     4_A      H     4_A     7.723     0    0.064   1.601    14.044   10.238    4.095
LGA    E     5_A      E     5_A     6.512     0    0.100   1.538     7.906   25.952   19.312
LGA    F     6_A      F     6_A     4.355     0    0.083   1.333     9.412   34.405   18.225
LGA    G     7_A      G     7_A     5.093     0    0.606   0.606     6.327   27.024   27.024
LGA    L     8_A      L     8_A     9.795     0    0.597   0.546    15.769    1.667    0.833
LGA    A     9_A      A     9_A     6.502     0    0.436   0.457     7.431   16.667   16.000
LGA    L    10_A      L    10_A     3.251     0    0.604   1.144     6.685   47.143   42.560
LGA    F    11_A      F    11_A     2.104     0    0.728   1.209     7.734   55.952   35.065
LGA    G    12_A      G    12_A     3.555     0    0.663   0.663     6.052   37.857   37.857
LGA    E    13_A      E    13_A     8.904     0    0.117   0.682    14.380    5.119    2.275
LGA    H    14_A      H    14_A    10.784     0    0.429   1.114    15.818    1.190    0.476
LGA    Y    15_A      Y    15_A    10.970     0    0.620   0.860    21.878    0.000    0.000
LGA    S    16_A      S    16_A    13.349     0    0.621   0.605    14.490    0.000    0.000
LGA    A    17_A      A    17_A    11.544     0    0.088   0.083    12.486    0.833    0.667
LGA    N    18_A      N    18_A     7.207     0    0.057   0.801     8.923   14.048   13.929
LGA    Q    19_A      Q    19_A     7.643     0    0.088   0.800    14.468   11.071    5.079
LGA    F    20_A      F    20_A     7.151     0    0.025   0.432    12.804   17.500    6.667
LGA    A    21_A      A    21_A     5.141     0    0.141   0.132     5.885   32.024   29.905
LGA    K    22_A      K    22_A     2.831     0    0.211   0.866     5.955   48.929   42.751
LGA    I    23_A      I    23_A     3.679     0    0.206   1.320     7.825   50.119   33.274
LGA    L    24_A      L    24_A     2.534     0    0.610   0.497     5.210   50.714   45.714
LGA    I    25_A      I    25_A     3.623     0    0.616   1.733     9.920   57.500   34.524
LGA    N    26_A      N    26_A     3.224     0    0.292   1.039     6.374   50.119   36.488
LGA    K    27_A      K    27_A     2.894     0    0.185   1.336    10.898   51.786   35.820
LGA    D    28_A      D    28_A     5.062     0    0.661   1.155     7.795   21.905   33.988
LGA    G    29_A      G    29_A     7.262     0    0.228   0.228     8.477   12.381   12.381
LGA    S    30_A      S    30_A     4.748     0    0.589   0.891     7.316   24.048   22.063
LGA    N    31_A      N    31_A     5.746     0    0.620   1.270     7.719   23.929   20.952
LGA    V    32_A      V    32_A     5.859     0    0.606   0.580     9.680   25.357   16.599
LGA    D    33_A      D    33_A     2.658     0    0.688   0.733     8.736   62.857   40.238
LGA    R    34_A      R    34_A     2.716     0    0.052   1.465    12.600   60.952   30.563
LGA    K    35_A      K    35_A     1.676     0    0.067   0.281     2.551   77.143   71.217
LGA    T    36_A      T    36_A     0.502     0    0.054   0.201     1.068   92.857   90.544
LGA    I    37_A      I    37_A     1.250     0    0.048   0.703     3.655   81.429   75.595
LGA    Q    38_A      Q    38_A     1.564     0    0.032   0.973     5.414   79.286   65.344
LGA    N    39_A      N    39_A     0.853     0    0.039   0.965     5.007   90.476   69.881
LGA    W    40_A      W    40_A     0.337     0    0.079   1.089     6.706  100.000   60.034
LGA    I    41_A      I    41_A     0.684     0    0.104   1.099     3.051   92.857   83.274
LGA    N    42_A      N    42_A     0.609     0    0.067   0.135     0.935   90.476   90.476
LGA    R    43_A      R    43_A     1.219     0    0.284   1.276     8.489   88.214   53.420
LGA    D    44_A      D    44_A     0.789     0    0.063   1.181     3.213   73.929   65.536
LGA    Q    45_A      Q    45_A     6.913     0    0.144   1.152    12.823   15.595    7.460
LGA    D    46_A      D    46_A    10.963     0    0.101   1.354    12.230    0.714    1.071
LGA    L    47_A      L    47_A    15.591     0    0.526   1.360    16.923    0.000    0.000
LGA    N    48_A      N    48_A    17.019     0    0.473   0.423    17.884    0.000    0.000
LGA    D    49_A      D    49_A    21.212     0    0.029   0.614    25.709    0.000    0.000
LGA    W    50_A      W    50_A    23.769     0    0.061   1.568    29.542    0.000    0.000
LGA    V    51_A      V    51_A    17.684     0    0.047   0.134    19.574    0.000    0.000
LGA    I    52_A      I    52_A    14.629     0    0.027   1.373    16.358    0.000    0.000
LGA    V    53_A      V    53_A    20.803     0    0.026   0.297    25.512    0.000    0.000
LGA    Q    54_A      Q    54_A    20.086     0    0.037   1.275    26.405    0.000    0.000
LGA    L    55_A      L    55_A    12.470     0    0.081   0.189    15.101    0.000    0.595
LGA    K    56_A      K    56_A    15.260     0    0.075   0.707    24.488    0.000    0.000
LGA    E    57_A      E    57_A    18.641     0    0.112   0.934    24.857    0.000    0.000
LGA    E    58_A      E    58_A    14.985     0    0.124   1.332    20.658    0.000    0.000
LGA    L    59_A      L    59_A     8.620     0    0.312   1.226    10.787    1.548   12.143
LGA    L    60_A      L    60_A    13.977     0    0.373   0.349    18.116    0.000    0.000
LGA    K    61_A      K    61_A    15.481     0    0.254   0.618    25.724    0.000    0.000
LGA    R    62_A      R    62_A     8.726     0    0.499   0.918    10.884    2.024    9.784
LGA    E    63_A      E    63_A     6.329     0    0.121   0.950     9.736    7.619   37.778
LGA    V    64_A      V    64_A    13.231     0    0.033   0.064    17.744    0.000    0.000
LGA    I    65_A      I    65_A    16.384     0    0.137   0.654    19.644    0.000    0.000
LGA    L    66_A      L    66_A    12.734     0    0.048   1.200    15.698    0.000    1.131
LGA    K    67_A      K    67_A    14.584     0    0.069   0.815    18.991    0.000    0.000
LGA    N    68_A      N    68_A    21.154     0    0.011   1.017    24.417    0.000    0.000
LGA    L    69_A      L    69_A    22.213     0    0.050   0.951    25.183    0.000    0.000
LGA    L    70_A      L    70_A    22.101     0    0.116   0.292    26.037    0.000    0.000
LGA    T    71_A      T    71_A    26.440     0    0.116   1.152    31.044    0.000    0.000
LGA    N    72_A      N    72_A    30.948     0    0.165   0.213    34.047    0.000    0.000
LGA    L    73_A      L    73_A    31.211     0    0.254   0.293    33.493    0.000    0.000
LGA    S    74_A      S    74_A    32.571     0    0.616   0.751    37.175    0.000    0.000
LGA    Q    75_A      Q    75_A    36.608     0    0.544   0.668    40.866    0.000    0.000
LGA    A    76_A      A    76_A    39.180     0    0.314   0.338    43.656    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):    11.084         11.161                 11.901           23.517   19.355

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  153   76    4.0     23    2.69    31.250    27.407     0.824

LGA_LOCAL      RMSD:   2.690  Number of atoms:   23  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  14.255  Number of assigned atoms:   76 
Std_ASGN_ATOMS RMSD:  11.084  Standard rmsd on all 76 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.602110 * X  +  -0.669101 * Y  +   0.435623 * Z  +  -2.046883
  Y_new =   0.470784 * X  +   0.738200 * Y  +   0.483138 * Z  +  17.760073
  Z_new =  -0.644846 * X  +  -0.085818 * Y  +   0.759480 * Z  +  20.840254 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.663601  0.700821 -0.112518   [DEG:   38.0215   40.1541   -6.4468 ]
ZXZ:  2.407865  0.708283 -1.703101   [DEG:  137.9605   40.5816  -97.5805 ]
 
# END of job
