
#######################################################
#                                                     #
#                        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        2.58     2.58
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    76      23_A - 98_A        1.68     2.69
  LCS_AVERAGE:     96.12

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    28      29_A - 56_A        0.99     2.87
  LCS_AVERAGE:     27.71

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      4    5   78      3    4    4    6    7    8    9   24   27   30   37   42   73   73   75   76   77   77   78   78 
LCS_GDT     Q    22_A     Q    22_A      4   67   78      3    4    5    6    7   31   36   43   53   56   65   67   77   77   77   77   77   77   78   78 
LCS_GDT     G    23_A     G    23_A      4   76   78      3    7   23   45   62   68   75   76   76   76   76   76   77   77   77   77   77   77   78   78 
LCS_GDT     Q    24_A     Q    24_A     23   76   78      8   27   46   65   73   75   75   76   76   76   76   76   77   77   77   77   77   77   78   78 
LCS_GDT     Q    25_A     Q    25_A     23   76   78     15   30   49   65   73   75   75   76   76   76   76   76   77   77   77   77   77   77   78   78 
LCS_GDT     D    26_A     D    26_A     23   76   78     15   30   49   65   73   75   75   76   76   76   76   76   77   77   77   77   77   77   78   78 
LCS_GDT     K    27_A     K    27_A     23   76   78     14   30   49   65   73   75   75   76   76   76   76   76   77   77   77   77   77   77   78   78 
LCS_GDT     L    28_A     L    28_A     23   76   78      9   30   49   65   73   75   75   76   76   76   76   76   77   77   77   77   77   77   78   78 
LCS_GDT     V    29_A     V    29_A     28   76   78     15   30   49   65   73   75   75   76   76   76   76   76   77   77   77   77   77   77   78   78 
LCS_GDT     L    30_A     L    30_A     28   76   78     15   30   49   65   73   75   75   76   76   76   76   76   77   77   77   77   77   77   78   78 
LCS_GDT     R    31_A     R    31_A     28   76   78     15   30   49   65   73   75   75   76   76   76   76   76   77   77   77   77   77   77   78   78 
LCS_GDT     V    32_A     V    32_A     28   76   78     14   30   49   65   73   75   75   76   76   76   76   76   77   77   77   77   77   77   78   78 
LCS_GDT     D    33_A     D    33_A     28   76   78      7   30   49   65   73   75   75   76   76   76   76   76   77   77   77   77   77   77   78   78 
LCS_GDT     G    34_A     G    34_A     28   76   78      5   27   49   65   73   75   75   76   76   76   76   76   77   77   77   77   77   77   78   78 
LCS_GDT     I    35_A     I    35_A     28   76   78      5   30   49   65   73   75   75   76   76   76   76   76   77   77   77   77   77   77   78   78 
LCS_GDT     L    36_A     L    36_A     28   76   78      9   30   49   65   73   75   75   76   76   76   76   76   77   77   77   77   77   77   78   78 
LCS_GDT     N    37_A     N    37_A     28   76   78      8   23   48   65   73   75   75   76   76   76   76   76   77   77   77   77   77   77   78   78 
LCS_GDT     E    38_A     E    38_A     28   76   78      8   23   47   65   73   75   75   76   76   76   76   76   77   77   77   77   77   77   78   78 
LCS_GDT     L    39_A     L    39_A     28   76   78      8   23   49   65   73   75   75   76   76   76   76   76   77   77   77   77   77   77   78   78 
LCS_GDT     D    40_A     D    40_A     28   76   78      8   23   49   65   73   75   75   76   76   76   76   76   77   77   77   77   77   77   78   78 
LCS_GDT     A    41_A     A    41_A     28   76   78      7   23   49   65   73   75   75   76   76   76   76   76   77   77   77   77   77   77   78   78 
LCS_GDT     Q    42_A     Q    42_A     28   76   78      8   27   49   65   73   75   75   76   76   76   76   76   77   77   77   77   77   77   78   78 
LCS_GDT     V    43_A     V    43_A     28   76   78      8   27   49   65   73   75   75   76   76   76   76   76   77   77   77   77   77   77   78   78 
LCS_GDT     L    44_A     L    44_A     28   76   78      8   30   49   65   73   75   75   76   76   76   76   76   77   77   77   77   77   77   78   78 
LCS_GDT     E    45_A     E    45_A     28   76   78      8   27   49   65   73   75   75   76   76   76   76   76   77   77   77   77   77   77   78   78 
LCS_GDT     G    46_A     G    46_A     28   76   78      8   23   49   65   73   75   75   76   76   76   76   76   77   77   77   77   77   77   78   78 
LCS_GDT     I    47_A     I    47_A     28   76   78      6   18   49   65   73   75   75   76   76   76   76   76   77   77   77   77   77   77   78   78 
LCS_GDT     L    48_A     L    48_A     28   76   78     14   30   49   65   73   75   75   76   76   76   76   76   77   77   77   77   77   77   78   78 
LCS_GDT     T    49_A     T    49_A     28   76   78      6   28   49   65   73   75   75   76   76   76   76   76   77   77   77   77   77   77   78   78 
LCS_GDT     R    50_A     R    50_A     28   76   78     15   30   49   65   73   75   75   76   76   76   76   76   77   77   77   77   77   77   78   78 
LCS_GDT     L    51_A     L    51_A     28   76   78     11   29   49   65   73   75   75   76   76   76   76   76   77   77   77   77   77   77   78   78 
LCS_GDT     N    52_A     N    52_A     28   76   78     11   26   49   65   73   75   75   76   76   76   76   76   77   77   77   77   77   77   78   78 
LCS_GDT     G    53_A     G    53_A     28   76   78     15   30   49   65   73   75   75   76   76   76   76   76   77   77   77   77   77   77   78   78 
LCS_GDT     V    54_A     V    54_A     28   76   78     15   30   49   65   73   75   75   76   76   76   76   76   77   77   77   77   77   77   78   78 
LCS_GDT     R    55_A     R    55_A     28   76   78     15   30   49   65   73   75   75   76   76   76   76   76   77   77   77   77   77   77   78   78 
LCS_GDT     Q    56_A     Q    56_A     28   76   78     15   30   49   65   73   75   75   76   76   76   76   76   77   77   77   77   77   77   78   78 
LCS_GDT     F    57_A     F    57_A     14   76   78     14   22   42   65   73   75   75   76   76   76   76   76   77   77   77   77   77   77   78   78 
LCS_GDT     R    58_A     R    58_A     14   76   78     14   26   41   59   73   75   75   76   76   76   76   76   77   77   77   77   77   77   78   78 
LCS_GDT     L    59_A     L    59_A     14   76   78     15   30   49   65   73   75   75   76   76   76   76   76   77   77   77   77   77   77   78   78 
LCS_GDT     D    60_A     D    60_A     14   76   78     12   30   49   65   73   75   75   76   76   76   76   76   77   77   77   77   77   77   78   78 
LCS_GDT     R    61_A     R    61_A     11   76   78      5   14   37   64   73   75   75   76   76   76   76   76   77   77   77   77   77   77   78   78 
LCS_GDT     I    62_A     I    62_A     11   76   78      4   11   30   58   73   75   75   76   76   76   76   76   77   77   77   77   77   77   78   78 
LCS_GDT     S    63_A     S    63_A     11   76   78      4   11   36   61   73   75   75   76   76   76   76   76   77   77   77   77   77   77   78   78 
LCS_GDT     G    64_A     G    64_A     15   76   78      4   21   49   65   73   75   75   76   76   76   76   76   77   77   77   77   77   77   78   78 
LCS_GDT     E    65_A     E    65_A     19   76   78     13   27   48   65   73   75   75   76   76   76   76   76   77   77   77   77   77   77   78   78 
LCS_GDT     L    66_A     L    66_A     21   76   78     15   30   49   65   73   75   75   76   76   76   76   76   77   77   77   77   77   77   78   78 
LCS_GDT     E    67_A     E    67_A     21   76   78     15   30   49   65   73   75   75   76   76   76   76   76   77   77   77   77   77   77   78   78 
LCS_GDT     V    68_A     V    68_A     21   76   78     15   30   49   65   73   75   75   76   76   76   76   76   77   77   77   77   77   77   78   78 
LCS_GDT     V    69_A     V    69_A     21   76   78     15   30   49   65   73   75   75   76   76   76   76   76   77   77   77   77   77   77   78   78 
LCS_GDT     F    70_A     F    70_A     21   76   78      9   30   49   65   73   75   75   76   76   76   76   76   77   77   77   77   77   77   78   78 
LCS_GDT     D    71_A     D    71_A     21   76   78      9   30   49   65   73   75   75   76   76   76   76   76   77   77   77   77   77   77   78   78 
LCS_GDT     P    72_A     P    72_A     21   76   78      9   28   49   65   73   75   75   76   76   76   76   76   77   77   77   77   77   77   78   78 
LCS_GDT     E    73_A     E    73_A     21   76   78      7   27   49   65   73   75   75   76   76   76   76   76   77   77   77   77   77   77   78   78 
LCS_GDT     V    74_A     V    74_A     21   76   78      9   25   49   65   73   75   75   76   76   76   76   76   77   77   77   77   77   77   78   78 
LCS_GDT     V    75_A     V    75_A     21   76   78      9   28   49   65   73   75   75   76   76   76   76   76   77   77   77   77   77   77   78   78 
LCS_GDT     S    76_A     S    76_A     21   76   78      5   20   49   65   73   75   75   76   76   76   76   76   77   77   77   77   77   77   78   78 
LCS_GDT     S    77_A     S    77_A     21   76   78      9   18   49   65   73   75   75   76   76   76   76   76   77   77   77   77   77   77   78   78 
LCS_GDT     R    78_A     R    78_A     21   76   78      5   18   49   65   73   75   75   76   76   76   76   76   77   77   77   77   77   77   78   78 
LCS_GDT     S    79_A     S    79_A     21   76   78      9   18   49   65   73   75   75   76   76   76   76   76   77   77   77   77   77   77   78   78 
LCS_GDT     L    80_A     L    80_A     21   76   78      9   17   40   65   73   75   75   76   76   76   76   76   77   77   77   77   77   77   78   78 
LCS_GDT     V    81_A     V    81_A     21   76   78      9   18   49   65   73   75   75   76   76   76   76   76   77   77   77   77   77   77   78   78 
LCS_GDT     D    82_A     D    82_A     21   76   78      9   19   49   65   73   75   75   76   76   76   76   76   77   77   77   77   77   77   78   78 
LCS_GDT     G    83_A     G    83_A     21   76   78      9   18   45   65   73   75   75   76   76   76   76   76   77   77   77   77   77   77   78   78 
LCS_GDT     I    84_A     I    84_A     21   76   78      9   17   44   65   73   75   75   76   76   76   76   76   77   77   77   77   77   77   78   78 
LCS_GDT     E    85_A     E    85_A     21   76   78      9   19   49   65   73   75   75   76   76   76   76   76   77   77   77   77   77   77   78   78 
LCS_GDT     E    86_A     E    86_A     21   76   78      9   17   45   65   73   75   75   76   76   76   76   76   77   77   77   77   77   77   78   78 
LCS_GDT     D    87_A     D    87_A     18   76   78      4   12   22   57   73   75   75   76   76   76   76   76   77   77   77   77   77   77   78   78 
LCS_GDT     G    88_A     G    88_A     18   76   78      4   16   31   52   73   75   75   76   76   76   76   76   77   77   77   77   77   77   78   78 
LCS_GDT     F    89_A     F    89_A     18   76   78      3   17   35   60   73   75   75   76   76   76   76   76   77   77   77   77   77   77   78   78 
LCS_GDT     G    90_A     G    90_A     18   76   78      5    7   30   47   72   75   75   76   76   76   76   76   77   77   77   77   77   77   78   78 
LCS_GDT     K    91_A     K    91_A     18   76   78      6   18   34   60   73   75   75   76   76   76   76   76   77   77   77   77   77   77   78   78 
LCS_GDT     F    92_A     F    92_A     18   76   78      5   22   45   65   73   75   75   76   76   76   76   76   77   77   77   77   77   77   78   78 
LCS_GDT     K    93_A     K    93_A     18   76   78      7   30   49   65   73   75   75   76   76   76   76   76   77   77   77   77   77   77   78   78 
LCS_GDT     L    94_A     L    94_A     17   76   78      9   30   49   65   73   75   75   76   76   76   76   76   77   77   77   77   77   77   78   78 
LCS_GDT     R    95_A     R    95_A     17   76   78     15   30   49   65   73   75   75   76   76   76   76   76   77   77   77   77   77   77   78   78 
LCS_GDT     V    96_A     V    96_A     17   76   78     15   30   49   65   73   75   75   76   76   76   76   76   77   77   77   77   77   77   78   78 
LCS_GDT     M    97_A     M    97_A     17   76   78     15   30   49   65   73   75   75   76   76   76   76   76   77   77   77   77   77   77   78   78 
LCS_GDT     S    98_A     S    98_A     17   76   78      0    4   30   51   73   75   75   76   76   76   76   76   77   77   77   77   77   77   78   78 
LCS_AVERAGE  LCS_A:  74.61  (  27.71   96.12  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     15     30     49     65     73     75     75     76     76     76     76     76     77     77     77     77     77     77     78     78 
GDT PERCENT_AT  19.23  38.46  62.82  83.33  93.59  96.15  96.15  97.44  97.44  97.44  97.44  97.44  98.72  98.72  98.72  98.72  98.72  98.72 100.00 100.00
GDT RMS_LOCAL    0.38   0.70   1.08   1.33   1.52   1.58   1.58   1.68   1.68   1.68   1.68   1.68   2.03   2.03   2.03   2.03   2.03   2.03   2.58   2.58
GDT RMS_ALL_AT   3.17   2.97   2.75   2.69   2.74   2.74   2.74   2.69   2.69   2.69   2.69   2.69   2.62   2.62   2.62   2.62   2.62   2.62   2.58   2.58

# Checking swapping
#   possible swapping detected:  F    21_A      F    21_A
#   possible swapping detected:  F    57_A      F    57_A
#   possible swapping detected:  E    65_A      E    65_A
#   possible swapping detected:  E    73_A      E    73_A
#   possible swapping detected:  E    86_A      E    86_A
#   possible swapping detected:  F    89_A      F    89_A
#   possible swapping detected:  F    92_A      F    92_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    F    21_A      F    21_A    15.513     0    0.474   0.874    18.484    0.000    0.000
LGA    Q    22_A      Q    22_A    10.449     4    0.083   0.107    12.523    1.429    0.635
LGA    G    23_A      G    23_A     5.087     0    0.201   0.201     6.852   36.667   36.667
LGA    Q    24_A      Q    24_A     1.911     0    0.621   1.167    10.388   79.405   41.058
LGA    Q    25_A      Q    25_A     1.417     0    0.126   1.318     3.810   79.286   70.741
LGA    D    26_A      D    26_A     1.317     0    0.128   0.230     1.669   81.548   77.202
LGA    K    27_A      K    27_A     1.421     0    0.024   0.862     3.059   79.286   74.127
LGA    L    28_A      L    28_A     1.235     0    0.120   0.170     2.399   85.952   78.452
LGA    V    29_A      V    29_A     1.188     0    0.103   1.052     3.906   83.690   77.347
LGA    L    30_A      L    30_A     0.901     0    0.050   0.653     2.135   83.690   82.738
LGA    R    31_A      R    31_A     0.897     0    0.041   0.640     2.138   90.476   85.671
LGA    V    32_A      V    32_A     1.046     0    0.066   0.081     1.617   83.690   80.272
LGA    D    33_A      D    33_A     0.938     0    0.038   0.812     3.212   85.952   76.726
LGA    G    34_A      G    34_A     0.965     0    0.063   0.063     1.021   85.952   85.952
LGA    I    35_A      I    35_A     1.210     0    0.074   0.614     3.274   81.429   77.500
LGA    L    36_A      L    36_A     1.338     0    0.135   0.998     4.813   81.429   68.095
LGA    N    37_A      N    37_A     1.651     0    0.085   0.828     3.896   75.000   72.440
LGA    E    38_A      E    38_A     1.671     0    0.042   1.290     3.330   75.000   70.370
LGA    L    39_A      L    39_A     1.387     0    0.030   1.067     4.107   79.286   68.750
LGA    D    40_A      D    40_A     1.649     0    0.035   0.944     5.294   72.857   57.381
LGA    A    41_A      A    41_A     1.586     0    0.033   0.047     1.728   77.143   76.286
LGA    Q    42_A      Q    42_A     1.112     0    0.051   0.676     3.388   81.429   74.286
LGA    V    43_A      V    43_A     1.209     0    0.025   1.007     2.843   81.429   75.578
LGA    L    44_A      L    44_A     1.205     0    0.027   0.161     1.941   81.429   79.286
LGA    E    45_A      E    45_A     1.245     0    0.093   0.429     2.203   81.429   81.640
LGA    G    46_A      G    46_A     1.674     0    0.032   0.032     1.674   79.286   79.286
LGA    I    47_A      I    47_A     1.641     0    0.027   1.312     5.133   79.286   66.250
LGA    L    48_A      L    48_A     1.456     0    0.042   1.400     5.142   79.286   70.476
LGA    T    49_A      T    49_A     1.416     0    0.029   0.083     2.132   79.286   75.374
LGA    R    50_A      R    50_A     1.305     0    0.163   1.168     5.284   75.119   51.342
LGA    L    51_A      L    51_A     1.890     0    0.050   1.294     3.631   72.857   68.214
LGA    N    52_A      N    52_A     2.018     0    0.117   0.860     3.925   68.810   61.250
LGA    G    53_A      G    53_A     1.429     0    0.054   0.054     1.683   79.286   79.286
LGA    V    54_A      V    54_A     0.959     0    0.050   1.166     2.960   88.214   79.660
LGA    R    55_A      R    55_A     0.697     0    0.054   1.119     4.440   90.476   76.320
LGA    Q    56_A      Q    56_A     0.824     0    0.054   0.804     2.689   88.214   85.820
LGA    F    57_A      F    57_A     2.062     0    0.055   1.196     4.977   66.786   58.874
LGA    R    58_A      R    58_A     2.357     0    0.079   1.449    11.413   68.810   37.056
LGA    L    59_A      L    59_A     1.431     0    0.067   1.078     2.679   77.143   71.071
LGA    D    60_A      D    60_A     1.064     0    0.084   0.872     4.171   85.952   71.190
LGA    R    61_A      R    61_A     2.040     0    0.098   1.193    12.709   65.238   33.247
LGA    I    62_A      I    62_A     2.482     0    0.036   1.270     5.544   61.190   51.488
LGA    S    63_A      S    63_A     2.309     0    0.200   0.583     2.730   73.095   67.778
LGA    G    64_A      G    64_A     1.009     0    0.079   0.079     1.459   83.690   83.690
LGA    E    65_A      E    65_A     1.762     0    0.146   0.651     3.860   83.810   65.979
LGA    L    66_A      L    66_A     1.018     0    0.113   1.240     3.702   81.429   76.667
LGA    E    67_A      E    67_A     0.987     0    0.036   0.862     4.579   88.214   71.164
LGA    V    68_A      V    68_A     0.891     0    0.045   0.062     0.904   90.476   90.476
LGA    V    69_A      V    69_A     0.741     0    0.033   0.104     1.333   90.476   89.184
LGA    F    70_A      F    70_A     0.189     0    0.042   0.076     0.603   97.619   97.403
LGA    D    71_A      D    71_A     0.763     0    0.052   0.790     2.651   90.595   81.905
LGA    P    72_A      P    72_A     1.536     0    0.034   0.071     1.941   75.000   76.531
LGA    E    73_A      E    73_A     1.676     0    0.236   1.105     4.089   67.262   65.661
LGA    V    74_A      V    74_A     1.616     0    0.037   0.076     2.086   72.976   75.374
LGA    V    75_A      V    75_A     1.033     0    0.102   0.143     1.223   85.952   87.891
LGA    S    76_A      S    76_A     1.151     0    0.039   0.745     2.445   85.952   81.667
LGA    S    77_A      S    77_A     1.284     0    0.046   0.672     3.908   81.429   73.651
LGA    R    78_A      R    78_A     1.475     0    0.129   1.381     5.565   81.429   66.061
LGA    S    79_A      S    79_A     1.431     0    0.074   0.674     3.956   81.429   73.651
LGA    L    80_A      L    80_A     1.866     0    0.032   0.934     2.290   72.857   76.190
LGA    V    81_A      V    81_A     1.535     0    0.030   1.068     4.308   77.143   69.048
LGA    D    82_A      D    82_A     1.358     0    0.046   0.234     2.163   81.429   77.202
LGA    G    83_A      G    83_A     1.742     0    0.037   0.037     1.819   72.857   72.857
LGA    I    84_A      I    84_A     1.717     0    0.028   0.066     2.193   72.857   69.821
LGA    E    85_A      E    85_A     1.219     0    0.029   0.173     2.116   81.429   76.772
LGA    E    86_A      E    86_A     1.782     0    0.117   0.615     3.430   72.857   61.799
LGA    D    87_A      D    87_A     2.890     0    0.150   0.934     7.395   57.143   38.631
LGA    G    88_A      G    88_A     2.801     0    0.539   0.539     2.801   59.048   59.048
LGA    F    89_A      F    89_A     2.648     0    0.486   1.316     7.047   64.881   38.874
LGA    G    90_A      G    90_A     3.173     0    0.264   0.264     3.173   53.571   53.571
LGA    K    91_A      K    91_A     2.672     0    0.103   0.860     6.789   60.952   47.143
LGA    F    92_A      F    92_A     1.657     0    0.020   0.430     2.553   72.857   69.957
LGA    K    93_A      K    93_A     0.959     0    0.083   0.888     3.727   88.214   74.709
LGA    L    94_A      L    94_A     0.507     0    0.028   1.363     3.169   83.810   78.750
LGA    R    95_A      R    95_A     1.460     0    0.081   1.416     7.592   85.952   60.087
LGA    V    96_A      V    96_A     1.193     0    0.028   0.066     1.804   81.429   77.755
LGA    M    97_A      M    97_A     0.887     0    0.274   0.736     3.516   88.214   78.036
LGA    S    98_A      S    98_A     2.888     1    0.130   0.125     4.410   62.976   48.175

# 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):     2.583          2.482                  3.432           76.044   68.443

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  100   78    4.0     76    1.68    79.487    88.639     4.259

LGA_LOCAL      RMSD:   1.684  Number of atoms:   76  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.692  Number of assigned atoms:   78 
Std_ASGN_ATOMS RMSD:   2.583  Standard rmsd on all 78 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.145419 * X  +   0.875086 * Y  +  -0.461603 * Z  +  17.788036
  Y_new =   0.667823 * X  +  -0.431058 * Y  +  -0.606796 * Z  + -24.995806
  Z_new =  -0.729977 * X  +  -0.220030 * Y  +  -0.647087 * Z  +  -6.761504 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.356392  0.818288 -2.813826   [DEG:   77.7156   46.8844 -161.2204 ]
ZXZ: -0.650328  2.274553 -1.863555   [DEG:  -37.2611  130.3223 -106.7739 ]
 
# END of job
