
#######################################################
#                                                     #
#                        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  100 (  812),  selected   78 , name one
# Molecule2: number of CA atoms   78 (  613),  selected   78 , 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:    78      21_A - 98_A        3.52     3.52
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    75      24_A - 98_A        1.85     3.75
  LCS_AVERAGE:     92.69

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    30      27_A - 56_A        0.98     3.86
  LCS_AVERAGE:     30.42

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   78
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     F    21_A     F    21_A      3    4   78      3    3    3    3    4    4    5    5    6   10   11   11   11   33   34   35   36   38   44   46 
LCS_GDT     Q    22_A     Q    22_A      3    5   78      3    3    5    6    6    8    9   12   19   22   24   26   29   34   50   72   77   77   77   77 
LCS_GDT     G    23_A     G    23_A      3    5   78      3    3    5    6    6    8   14   35   54   69   73   73   74   75   76   76   77   77   77   77 
LCS_GDT     Q    24_A     Q    24_A      3   75   78      3    3    5    6   38   60   69   72   72   74   74   75   75   75   76   76   77   77   77   77 
LCS_GDT     Q    25_A     Q    25_A     27   75   78     10   23   53   67   69   71   72   73   74   74   74   75   75   75   76   76   77   77   77   77 
LCS_GDT     D    26_A     D    26_A     27   75   78     10   24   53   67   69   71   72   73   74   74   74   75   75   75   76   76   77   77   77   77 
LCS_GDT     K    27_A     K    27_A     30   75   78     13   31   53   67   69   71   72   73   74   74   74   75   75   75   76   76   77   77   77   77 
LCS_GDT     L    28_A     L    28_A     30   75   78     10   31   53   67   69   71   72   73   74   74   74   75   75   75   76   76   77   77   77   77 
LCS_GDT     V    29_A     V    29_A     30   75   78      9   23   53   67   69   71   72   73   74   74   74   75   75   75   76   76   77   77   77   77 
LCS_GDT     L    30_A     L    30_A     30   75   78     12   31   53   67   69   71   72   73   74   74   74   75   75   75   76   76   77   77   77   77 
LCS_GDT     R    31_A     R    31_A     30   75   78     13   31   53   67   69   71   72   73   74   74   74   75   75   75   76   76   77   77   77   77 
LCS_GDT     V    32_A     V    32_A     30   75   78     13   31   53   67   69   71   72   73   74   74   74   75   75   75   76   76   77   77   77   77 
LCS_GDT     D    33_A     D    33_A     30   75   78     13   31   53   67   69   71   72   73   74   74   74   75   75   75   76   76   77   77   77   77 
LCS_GDT     G    34_A     G    34_A     30   75   78     13   31   53   67   69   71   72   73   74   74   74   75   75   75   76   76   77   77   77   77 
LCS_GDT     I    35_A     I    35_A     30   75   78     13   31   53   67   69   71   72   73   74   74   74   75   75   75   76   76   77   77   77   77 
LCS_GDT     L    36_A     L    36_A     30   75   78     10   30   53   67   69   71   72   73   74   74   74   75   75   75   76   76   77   77   77   77 
LCS_GDT     N    37_A     N    37_A     30   75   78     10   29   53   67   69   71   72   73   74   74   74   75   75   75   76   76   77   77   77   77 
LCS_GDT     E    38_A     E    38_A     30   75   78     10   28   53   67   69   71   72   73   74   74   74   75   75   75   76   76   77   77   77   77 
LCS_GDT     L    39_A     L    39_A     30   75   78     10   29   53   67   69   71   72   73   74   74   74   75   75   75   76   76   77   77   77   77 
LCS_GDT     D    40_A     D    40_A     30   75   78     10   29   53   67   69   71   72   73   74   74   74   75   75   75   76   76   77   77   77   77 
LCS_GDT     A    41_A     A    41_A     30   75   78      9   29   53   67   69   71   72   73   74   74   74   75   75   75   76   76   77   77   77   77 
LCS_GDT     Q    42_A     Q    42_A     30   75   78     10   29   53   67   69   71   72   73   74   74   74   75   75   75   76   76   77   77   77   77 
LCS_GDT     V    43_A     V    43_A     30   75   78     10   29   53   67   69   71   72   73   74   74   74   75   75   75   76   76   77   77   77   77 
LCS_GDT     L    44_A     L    44_A     30   75   78     10   30   53   67   69   71   72   73   74   74   74   75   75   75   76   76   77   77   77   77 
LCS_GDT     E    45_A     E    45_A     30   75   78     10   29   53   67   69   71   72   73   74   74   74   75   75   75   76   76   77   77   77   77 
LCS_GDT     G    46_A     G    46_A     30   75   78      9   28   53   67   69   71   72   73   74   74   74   75   75   75   76   76   77   77   77   77 
LCS_GDT     I    47_A     I    47_A     30   75   78     10   31   53   67   69   71   72   73   74   74   74   75   75   75   76   76   77   77   77   77 
LCS_GDT     L    48_A     L    48_A     30   75   78      5   23   50   67   69   71   72   73   74   74   74   75   75   75   76   76   77   77   77   77 
LCS_GDT     T    49_A     T    49_A     30   75   78      4   24   50   67   69   71   72   73   74   74   74   75   75   75   76   76   77   77   77   77 
LCS_GDT     R    50_A     R    50_A     30   75   78      8   30   53   67   69   71   72   73   74   74   74   75   75   75   76   76   77   77   77   77 
LCS_GDT     L    51_A     L    51_A     30   75   78      8   29   53   67   69   71   72   73   74   74   74   75   75   75   76   76   77   77   77   77 
LCS_GDT     N    52_A     N    52_A     30   75   78     10   22   48   67   69   71   72   73   74   74   74   75   75   75   76   76   77   77   77   77 
LCS_GDT     G    53_A     G    53_A     30   75   78     10   29   53   67   69   71   72   73   74   74   74   75   75   75   76   76   77   77   77   77 
LCS_GDT     V    54_A     V    54_A     30   75   78     10   31   53   67   69   71   72   73   74   74   74   75   75   75   76   76   77   77   77   77 
LCS_GDT     R    55_A     R    55_A     30   75   78      9   30   53   67   69   71   72   73   74   74   74   75   75   75   76   76   77   77   77   77 
LCS_GDT     Q    56_A     Q    56_A     30   75   78     13   31   53   67   69   71   72   73   74   74   74   75   75   75   76   76   77   77   77   77 
LCS_GDT     F    57_A     F    57_A     28   75   78      6   31   52   67   69   71   72   73   74   74   74   75   75   75   76   76   77   77   77   77 
LCS_GDT     R    58_A     R    58_A     24   75   78     13   31   53   67   69   71   72   73   74   74   74   75   75   75   76   76   77   77   77   77 
LCS_GDT     L    59_A     L    59_A     24   75   78     13   31   53   67   69   71   72   73   74   74   74   75   75   75   76   76   77   77   77   77 
LCS_GDT     D    60_A     D    60_A     25   75   78      5   31   53   67   69   71   72   73   74   74   74   75   75   75   76   76   77   77   77   77 
LCS_GDT     R    61_A     R    61_A     26   75   78      4   30   53   67   69   71   72   73   74   74   74   75   75   75   76   76   77   77   77   77 
LCS_GDT     I    62_A     I    62_A     26   75   78      4   21   52   67   69   71   72   73   74   74   74   75   75   75   76   76   77   77   77   77 
LCS_GDT     S    63_A     S    63_A     26   75   78      8   16   52   67   69   71   72   73   74   74   74   75   75   75   76   76   77   77   77   77 
LCS_GDT     G    64_A     G    64_A     26   75   78      6   30   53   67   69   71   72   73   74   74   74   75   75   75   76   76   77   77   77   77 
LCS_GDT     E    65_A     E    65_A     26   75   78      5   31   53   67   69   71   72   73   74   74   74   75   75   75   76   76   77   77   77   77 
LCS_GDT     L    66_A     L    66_A     26   75   78     10   31   53   67   69   71   72   73   74   74   74   75   75   75   76   76   77   77   77   77 
LCS_GDT     E    67_A     E    67_A     26   75   78     13   31   53   67   69   71   72   73   74   74   74   75   75   75   76   76   77   77   77   77 
LCS_GDT     V    68_A     V    68_A     26   75   78     13   31   53   67   69   71   72   73   74   74   74   75   75   75   76   76   77   77   77   77 
LCS_GDT     V    69_A     V    69_A     26   75   78     13   31   53   67   69   71   72   73   74   74   74   75   75   75   76   76   77   77   77   77 
LCS_GDT     F    70_A     F    70_A     26   75   78     13   31   53   67   69   71   72   73   74   74   74   75   75   75   76   76   77   77   77   77 
LCS_GDT     D    71_A     D    71_A     26   75   78     13   31   53   67   69   71   72   73   74   74   74   75   75   75   76   76   77   77   77   77 
LCS_GDT     P    72_A     P    72_A     26   75   78     10   31   53   67   69   71   72   73   74   74   74   75   75   75   76   76   77   77   77   77 
LCS_GDT     E    73_A     E    73_A     26   75   78      9   29   53   67   69   71   72   73   74   74   74   75   75   75   76   76   77   77   77   77 
LCS_GDT     V    74_A     V    74_A     26   75   78     13   31   53   67   69   71   72   73   74   74   74   75   75   75   76   76   77   77   77   77 
LCS_GDT     V    75_A     V    75_A     26   75   78     10   31   53   67   69   71   72   73   74   74   74   75   75   75   76   76   77   77   77   77 
LCS_GDT     S    76_A     S    76_A     26   75   78      9   25   53   67   69   71   72   73   74   74   74   75   75   75   76   76   77   77   77   77 
LCS_GDT     S    77_A     S    77_A     26   75   78      7   25   53   67   69   71   72   73   74   74   74   75   75   75   76   76   77   77   77   77 
LCS_GDT     R    78_A     R    78_A     26   75   78      6   25   48   67   69   71   72   73   74   74   74   75   75   75   76   76   77   77   77   77 
LCS_GDT     S    79_A     S    79_A     26   75   78      9   22   46   67   69   71   72   73   74   74   74   75   75   75   76   76   77   77   77   77 
LCS_GDT     L    80_A     L    80_A     26   75   78      8   25   46   67   69   71   72   73   74   74   74   75   75   75   76   76   77   77   77   77 
LCS_GDT     V    81_A     V    81_A     26   75   78      8   25   53   67   69   71   72   73   74   74   74   75   75   75   76   76   77   77   77   77 
LCS_GDT     D    82_A     D    82_A     26   75   78      8   25   53   67   69   71   72   73   74   74   74   75   75   75   76   76   77   77   77   77 
LCS_GDT     G    83_A     G    83_A     26   75   78      8   25   45   67   69   71   72   73   74   74   74   75   75   75   76   76   77   77   77   77 
LCS_GDT     I    84_A     I    84_A     26   75   78      7   25   51   67   69   71   72   73   74   74   74   75   75   75   76   76   77   77   77   77 
LCS_GDT     E    85_A     E    85_A     26   75   78      8   25   52   67   69   71   72   73   74   74   74   75   75   75   76   76   77   77   77   77 
LCS_GDT     E    86_A     E    86_A     26   75   78      8   25   51   67   69   71   72   73   74   74   74   75   75   75   76   76   77   77   77   77 
LCS_GDT     D    87_A     D    87_A     22   75   78      8   13   31   51   68   71   72   73   74   74   74   75   75   75   76   76   77   77   77   77 
LCS_GDT     G    88_A     G    88_A     14   75   78      5   13   32   44   65   71   72   73   74   74   74   75   75   75   76   76   77   77   77   77 
LCS_GDT     F    89_A     F    89_A      4   75   78      3    4    5    7   18   45   65   73   74   74   74   75   75   75   76   76   77   77   77   77 
LCS_GDT     G    90_A     G    90_A      4   75   78      3    4    4   11   27   69   72   73   74   74   74   75   75   75   76   76   77   77   77   77 
LCS_GDT     K    91_A     K    91_A      8   75   78      3   12   38   57   69   71   72   73   74   74   74   75   75   75   76   76   77   77   77   77 
LCS_GDT     F    92_A     F    92_A      8   75   78     13   31   53   67   69   71   72   73   74   74   74   75   75   75   76   76   77   77   77   77 
LCS_GDT     K    93_A     K    93_A      8   75   78     13   31   53   67   69   71   72   73   74   74   74   75   75   75   76   76   77   77   77   77 
LCS_GDT     L    94_A     L    94_A      8   75   78     13   31   53   67   69   71   72   73   74   74   74   75   75   75   76   76   77   77   77   77 
LCS_GDT     R    95_A     R    95_A      8   75   78     10   31   53   67   69   71   72   73   74   74   74   75   75   75   76   76   77   77   77   77 
LCS_GDT     V    96_A     V    96_A      8   75   78      8   31   53   67   69   71   72   73   74   74   74   75   75   75   76   76   77   77   77   77 
LCS_GDT     M    97_A     M    97_A      8   75   78      8   31   53   67   69   71   72   73   74   74   74   75   75   75   76   76   77   77   77   77 
LCS_GDT     S    98_A     S    98_A      8   75   78      0    3    4   29   55   68   72   73   74   74   74   75   75   75   76   76   77   77   77   77 
LCS_AVERAGE  LCS_A:  74.37  (  30.42   92.69  100.00 )

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     13     31     53     67     69     71     72     73     74     74     74     75     75     75     76     76     77     77     77     77 
GDT PERCENT_AT  16.67  39.74  67.95  85.90  88.46  91.03  92.31  93.59  94.87  94.87  94.87  96.15  96.15  96.15  97.44  97.44  98.72  98.72  98.72  98.72
GDT RMS_LOCAL    0.33   0.65   1.05   1.27   1.33   1.43   1.48   1.58   1.70   1.70   1.70   1.85   1.85   1.85   2.28   2.28   2.85   2.85   2.85   2.85
GDT RMS_ALL_AT   3.89   3.97   3.76   3.76   3.77   3.78   3.81   3.81   3.82   3.82   3.82   3.75   3.75   3.75   3.64   3.64   3.56   3.56   3.56   3.56

# Checking swapping
#   possible swapping detected:  D    33_A      D    33_A
#   possible swapping detected:  E    67_A      E    67_A
#   possible swapping detected:  D    71_A      D    71_A
#   possible swapping detected:  E    73_A      E    73_A
#   possible swapping detected:  E    85_A      E    85_A
#   possible swapping detected:  F    89_A      F    89_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    F    21_A      F    21_A    20.855     0    0.152   1.106    23.464    0.000    0.000
LGA    Q    22_A      Q    22_A    16.765     4    0.109   0.146    17.737    0.000    0.000
LGA    G    23_A      G    23_A    12.508     0    0.542   0.542    13.986    0.833    0.833
LGA    Q    24_A      Q    24_A     6.634     0    0.164   1.096    12.706   13.929    7.037
LGA    Q    25_A      Q    25_A     1.802     0    0.201   1.089     3.094   65.119   67.037
LGA    D    26_A      D    26_A     1.277     0    0.212   0.797     2.163   83.690   78.333
LGA    K    27_A      K    27_A     1.232     0    0.153   0.949     4.769   75.119   62.116
LGA    L    28_A      L    28_A     1.254     0    0.061   0.912     3.623   85.952   75.774
LGA    V    29_A      V    29_A     1.468     0    0.043   1.102     2.807   81.429   73.197
LGA    L    30_A      L    30_A     0.615     0    0.038   0.757     1.744   85.952   84.881
LGA    R    31_A      R    31_A     0.410     0    0.052   1.053     4.722  100.000   74.372
LGA    V    32_A      V    32_A     0.768     0    0.053   0.062     1.330   90.476   87.891
LGA    D    33_A      D    33_A     0.806     0    0.039   1.167     4.926   88.214   72.738
LGA    G    34_A      G    34_A     0.882     0    0.041   0.041     0.930   90.476   90.476
LGA    I    35_A      I    35_A     1.122     0    0.040   1.259     3.095   88.214   79.821
LGA    L    36_A      L    36_A     0.829     0    0.107   0.865     4.430   83.810   69.643
LGA    N    37_A      N    37_A     1.393     0    0.038   1.156     3.892   81.429   72.560
LGA    E    38_A      E    38_A     1.558     0    0.033   0.783     2.105   72.857   72.011
LGA    L    39_A      L    39_A     1.472     0    0.041   0.112     1.605   81.429   79.286
LGA    D    40_A      D    40_A     1.569     0    0.037   0.093     1.874   72.857   72.857
LGA    A    41_A      A    41_A     1.417     0    0.036   0.048     1.476   81.429   81.429
LGA    Q    42_A      Q    42_A     1.408     0    0.057   0.123     1.657   79.286   79.524
LGA    V    43_A      V    43_A     1.414     0    0.021   0.124     1.480   81.429   81.429
LGA    L    44_A      L    44_A     1.285     0    0.036   0.976     3.804   81.429   73.512
LGA    E    45_A      E    45_A     1.539     0    0.085   0.697     3.403   72.976   65.185
LGA    G    46_A      G    46_A     1.886     0    0.029   0.029     1.886   72.857   72.857
LGA    I    47_A      I    47_A     1.080     0    0.032   1.273     2.739   81.429   74.405
LGA    L    48_A      L    48_A     1.826     0    0.049   0.161     2.792   72.857   67.857
LGA    T    49_A      T    49_A     2.006     0    0.069   1.083     4.150   68.810   64.286
LGA    R    50_A      R    50_A     1.278     0    0.145   0.810     2.381   75.119   76.061
LGA    L    51_A      L    51_A     1.788     0    0.065   1.309     4.026   77.143   70.595
LGA    N    52_A      N    52_A     2.388     0    0.059   0.687     4.842   64.762   55.952
LGA    G    53_A      G    53_A     1.805     0    0.057   0.057     2.045   75.119   75.119
LGA    V    54_A      V    54_A     0.998     0    0.033   0.097     1.367   85.952   86.599
LGA    R    55_A      R    55_A     0.952     0    0.058   1.661     7.224   92.857   60.043
LGA    Q    56_A      Q    56_A     0.441     0    0.040   0.604     3.666   97.619   77.302
LGA    F    57_A      F    57_A     1.513     0    0.088   1.054     4.646   79.286   66.147
LGA    R    58_A      R    58_A     1.320     0    0.091   1.183     4.406   81.429   66.364
LGA    L    59_A      L    59_A     1.527     0    0.029   1.072     2.410   77.143   74.048
LGA    D    60_A      D    60_A     1.113     0    0.018   1.263     5.280   85.952   68.929
LGA    R    61_A      R    61_A     1.097     0    0.113   1.239    11.793   81.548   43.463
LGA    I    62_A      I    62_A     1.371     0    0.030   1.260     4.509   77.381   64.286
LGA    S    63_A      S    63_A     1.602     0    0.124   0.667     2.134   83.810   78.810
LGA    G    64_A      G    64_A     0.801     0    0.132   0.132     1.519   88.452   88.452
LGA    E    65_A      E    65_A     1.372     0    0.128   0.824     4.059   83.690   67.725
LGA    L    66_A      L    66_A     1.152     0    0.035   1.151     2.973   81.429   76.310
LGA    E    67_A      E    67_A     0.969     0    0.050   0.813     2.364   88.214   77.937
LGA    V    68_A      V    68_A     0.542     0    0.025   0.072     0.641   90.476   90.476
LGA    V    69_A      V    69_A     0.399     0    0.017   1.071     2.233   97.619   89.728
LGA    F    70_A      F    70_A     0.502     0    0.036   0.068     1.067   92.857   90.519
LGA    D    71_A      D    71_A     0.834     0    0.038   0.924     3.100   90.476   80.952
LGA    P    72_A      P    72_A     0.551     0    0.049   0.071     0.751   90.476   93.197
LGA    E    73_A      E    73_A     0.643     0    0.194   0.644     3.133   86.071   73.757
LGA    V    74_A      V    74_A     0.325     0    0.063   1.105     2.629  100.000   88.844
LGA    V    75_A      V    75_A     0.586     0    0.104   1.153     2.973   95.238   84.762
LGA    S    76_A      S    76_A     1.043     0    0.069   0.074     1.150   81.429   81.429
LGA    S    77_A      S    77_A     1.204     0    0.034   0.608     1.997   81.429   80.000
LGA    R    78_A      R    78_A     1.818     0    0.086   1.481     8.349   72.857   51.905
LGA    S    79_A      S    79_A     1.886     0    0.076   0.097     2.451   72.857   70.159
LGA    L    80_A      L    80_A     1.747     0    0.031   0.988     2.175   72.857   77.440
LGA    V    81_A      V    81_A     1.221     0    0.023   1.202     3.735   81.429   75.986
LGA    D    82_A      D    82_A     1.360     0    0.063   0.104     2.127   81.429   77.202
LGA    G    83_A      G    83_A     1.965     0    0.029   0.029     2.050   70.833   70.833
LGA    I    84_A      I    84_A     1.643     0    0.029   1.293     3.961   72.857   67.679
LGA    E    85_A      E    85_A     1.227     0    0.035   0.680     2.064   79.286   76.772
LGA    E    86_A      E    86_A     1.725     0    0.074   0.549     2.216   70.952   72.011
LGA    D    87_A      D    87_A     3.131     0    0.201   0.867     6.935   50.119   36.488
LGA    G    88_A      G    88_A     3.286     0    0.476   0.476     3.286   55.476   55.476
LGA    F    89_A      F    89_A     5.838     0    0.410   1.318    12.363   27.619   11.645
LGA    G    90_A      G    90_A     4.669     0    0.609   0.609     5.370   48.810   48.810
LGA    K    91_A      K    91_A     3.131     0    0.652   0.860    14.349   53.571   26.508
LGA    F    92_A      F    92_A     1.328     0    0.050   0.324     1.627   79.286   79.870
LGA    K    93_A      K    93_A     1.230     0    0.035   0.954     6.046   85.952   61.270
LGA    L    94_A      L    94_A     0.397     0    0.046   1.237     3.956   90.595   80.298
LGA    R    95_A      R    95_A     1.041     0    0.096   1.098     6.013   90.595   70.433
LGA    V    96_A      V    96_A     1.078     0    0.029   0.084     2.032   81.429   77.823
LGA    M    97_A      M    97_A     1.188     0    0.581   1.384     5.091   81.429   66.905
LGA    S    98_A      S    98_A     3.611     1    0.617   0.577     6.318   34.167   26.349

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       78     312    312  100.00     613    613  100.00                78
SUMMARY(RMSD_GDC):     3.523          3.463                  4.195           75.278   67.833

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  100   78    4.0     73    1.58    79.167    86.785     4.355

LGA_LOCAL      RMSD:   1.576  Number of atoms:   73  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.809  Number of assigned atoms:   78 
Std_ASGN_ATOMS RMSD:   3.523  Standard rmsd on all 78 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.667977 * X  +   0.053037 * Y  +   0.742290 * Z  +  21.857077
  Y_new =   0.610793 * X  +  -0.608897 * Y  +  -0.506138 * Z  + -10.190348
  Z_new =   0.425134 * X  +   0.791474 * Y  +  -0.439124 * Z  +  -9.040259 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.740710 -0.439110  2.077331   [DEG:   42.4396  -25.1591  119.0223 ]
ZXZ:  0.972348  2.025420  0.492918   [DEG:   55.7114  116.0480   28.2421 ]
 
# END of job
