
#######################################################
#                                                     #
#                        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        2.92     2.92
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    75      24_A - 98_A        1.83     3.10
  LCS_AVERAGE:     92.64

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    52      26_A - 77_A        0.99     3.28
  LCS_AVERAGE:     56.67

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    3   78      0    3    3    3    3    5    6    6    6    8   10   12   41   43   61   67   78   78   78   78 
LCS_GDT     Q    22_A     Q    22_A      3    4   78      0    3    3    3    4    5   16   22   27   62   75   77   77   77   77   77   78   78   78   78 
LCS_GDT     G    23_A     G    23_A      3    4   78      0    3    3    3    4    5   16   34   46   67   74   77   77   77   77   77   78   78   78   78 
LCS_GDT     Q    24_A     Q    24_A      3   75   78      1    3    3    3    5    6    7   22   28   62   69   77   77   77   77   77   78   78   78   78 
LCS_GDT     Q    25_A     Q    25_A      3   75   78      1    3    4   19   34   55   70   74   74   74   75   77   77   77   77   77   78   78   78   78 
LCS_GDT     D    26_A     D    26_A     52   75   78     17   39   65   72   73   73   73   74   74   74   75   77   77   77   77   77   78   78   78   78 
LCS_GDT     K    27_A     K    27_A     52   75   78     18   39   65   72   73   73   73   74   74   74   75   77   77   77   77   77   78   78   78   78 
LCS_GDT     L    28_A     L    28_A     52   75   78     18   39   65   72   73   73   73   74   74   74   75   77   77   77   77   77   78   78   78   78 
LCS_GDT     V    29_A     V    29_A     52   75   78     12   39   65   72   73   73   73   74   74   74   75   77   77   77   77   77   78   78   78   78 
LCS_GDT     L    30_A     L    30_A     52   75   78      7   34   65   72   73   73   73   74   74   74   75   77   77   77   77   77   78   78   78   78 
LCS_GDT     R    31_A     R    31_A     52   75   78     18   39   65   72   73   73   73   74   74   74   75   77   77   77   77   77   78   78   78   78 
LCS_GDT     V    32_A     V    32_A     52   75   78     18   39   65   72   73   73   73   74   74   74   75   77   77   77   77   77   78   78   78   78 
LCS_GDT     D    33_A     D    33_A     52   75   78      9   39   65   72   73   73   73   74   74   74   75   77   77   77   77   77   78   78   78   78 
LCS_GDT     G    34_A     G    34_A     52   75   78     15   39   65   72   73   73   73   74   74   74   75   77   77   77   77   77   78   78   78   78 
LCS_GDT     I    35_A     I    35_A     52   75   78     16   39   65   72   73   73   73   74   74   74   75   77   77   77   77   77   78   78   78   78 
LCS_GDT     L    36_A     L    36_A     52   75   78     16   39   65   72   73   73   73   74   74   74   75   77   77   77   77   77   78   78   78   78 
LCS_GDT     N    37_A     N    37_A     52   75   78     16   23   65   72   73   73   73   74   74   74   75   77   77   77   77   77   78   78   78   78 
LCS_GDT     E    38_A     E    38_A     52   75   78     16   34   64   72   73   73   73   74   74   74   75   77   77   77   77   77   78   78   78   78 
LCS_GDT     L    39_A     L    39_A     52   75   78     16   38   65   72   73   73   73   74   74   74   75   77   77   77   77   77   78   78   78   78 
LCS_GDT     D    40_A     D    40_A     52   75   78     16   39   65   72   73   73   73   74   74   74   75   77   77   77   77   77   78   78   78   78 
LCS_GDT     A    41_A     A    41_A     52   75   78     16   39   65   72   73   73   73   74   74   74   75   77   77   77   77   77   78   78   78   78 
LCS_GDT     Q    42_A     Q    42_A     52   75   78     16   39   65   72   73   73   73   74   74   74   75   77   77   77   77   77   78   78   78   78 
LCS_GDT     V    43_A     V    43_A     52   75   78     16   39   65   72   73   73   73   74   74   74   75   77   77   77   77   77   78   78   78   78 
LCS_GDT     L    44_A     L    44_A     52   75   78     16   39   65   72   73   73   73   74   74   74   75   77   77   77   77   77   78   78   78   78 
LCS_GDT     E    45_A     E    45_A     52   75   78     16   39   65   72   73   73   73   74   74   74   75   77   77   77   77   77   78   78   78   78 
LCS_GDT     G    46_A     G    46_A     52   75   78     16   39   65   72   73   73   73   74   74   74   75   77   77   77   77   77   78   78   78   78 
LCS_GDT     I    47_A     I    47_A     52   75   78     16   39   65   72   73   73   73   74   74   74   75   77   77   77   77   77   78   78   78   78 
LCS_GDT     L    48_A     L    48_A     52   75   78     16   39   65   72   73   73   73   74   74   74   75   77   77   77   77   77   78   78   78   78 
LCS_GDT     T    49_A     T    49_A     52   75   78     16   39   65   72   73   73   73   74   74   74   75   77   77   77   77   77   78   78   78   78 
LCS_GDT     R    50_A     R    50_A     52   75   78     17   39   65   72   73   73   73   74   74   74   75   77   77   77   77   77   78   78   78   78 
LCS_GDT     L    51_A     L    51_A     52   75   78     16   38   62   72   73   73   73   74   74   74   75   77   77   77   77   77   78   78   78   78 
LCS_GDT     N    52_A     N    52_A     52   75   78      4   15   51   72   73   73   73   74   74   74   75   77   77   77   77   77   78   78   78   78 
LCS_GDT     G    53_A     G    53_A     52   75   78     18   39   65   72   73   73   73   74   74   74   75   77   77   77   77   77   78   78   78   78 
LCS_GDT     V    54_A     V    54_A     52   75   78     18   39   65   72   73   73   73   74   74   74   75   77   77   77   77   77   78   78   78   78 
LCS_GDT     R    55_A     R    55_A     52   75   78     18   39   65   72   73   73   73   74   74   74   75   77   77   77   77   77   78   78   78   78 
LCS_GDT     Q    56_A     Q    56_A     52   75   78     18   39   65   72   73   73   73   74   74   74   75   77   77   77   77   77   78   78   78   78 
LCS_GDT     F    57_A     F    57_A     52   75   78     18   39   65   72   73   73   73   74   74   74   75   77   77   77   77   77   78   78   78   78 
LCS_GDT     R    58_A     R    58_A     52   75   78     18   39   65   72   73   73   73   74   74   74   75   77   77   77   77   77   78   78   78   78 
LCS_GDT     L    59_A     L    59_A     52   75   78     18   39   65   72   73   73   73   74   74   74   75   77   77   77   77   77   78   78   78   78 
LCS_GDT     D    60_A     D    60_A     52   75   78      9   39   65   72   73   73   73   74   74   74   75   77   77   77   77   77   78   78   78   78 
LCS_GDT     R    61_A     R    61_A     52   75   78      6   33   65   72   73   73   73   74   74   74   75   77   77   77   77   77   78   78   78   78 
LCS_GDT     I    62_A     I    62_A     52   75   78      6   10   65   72   73   73   73   74   74   74   75   77   77   77   77   77   78   78   78   78 
LCS_GDT     S    63_A     S    63_A     52   75   78      9   39   65   72   73   73   73   74   74   74   75   77   77   77   77   77   78   78   78   78 
LCS_GDT     G    64_A     G    64_A     52   75   78      9   39   65   72   73   73   73   74   74   74   75   77   77   77   77   77   78   78   78   78 
LCS_GDT     E    65_A     E    65_A     52   75   78      6   32   65   72   73   73   73   74   74   74   75   77   77   77   77   77   78   78   78   78 
LCS_GDT     L    66_A     L    66_A     52   75   78     18   39   65   72   73   73   73   74   74   74   75   77   77   77   77   77   78   78   78   78 
LCS_GDT     E    67_A     E    67_A     52   75   78     18   39   65   72   73   73   73   74   74   74   75   77   77   77   77   77   78   78   78   78 
LCS_GDT     V    68_A     V    68_A     52   75   78     18   39   65   72   73   73   73   74   74   74   75   77   77   77   77   77   78   78   78   78 
LCS_GDT     V    69_A     V    69_A     52   75   78     18   39   65   72   73   73   73   74   74   74   75   77   77   77   77   77   78   78   78   78 
LCS_GDT     F    70_A     F    70_A     52   75   78     18   39   65   72   73   73   73   74   74   74   75   77   77   77   77   77   78   78   78   78 
LCS_GDT     D    71_A     D    71_A     52   75   78     12   39   65   72   73   73   73   74   74   74   75   77   77   77   77   77   78   78   78   78 
LCS_GDT     P    72_A     P    72_A     52   75   78      7   33   65   72   73   73   73   74   74   74   75   77   77   77   77   77   78   78   78   78 
LCS_GDT     E    73_A     E    73_A     52   75   78      7   33   65   72   73   73   73   74   74   74   75   77   77   77   77   77   78   78   78   78 
LCS_GDT     V    74_A     V    74_A     52   75   78      7   39   65   72   73   73   73   74   74   74   75   77   77   77   77   77   78   78   78   78 
LCS_GDT     V    75_A     V    75_A     52   75   78      5   33   65   72   73   73   73   74   74   74   75   77   77   77   77   77   78   78   78   78 
LCS_GDT     S    76_A     S    76_A     52   75   78      5   33   65   72   73   73   73   74   74   74   75   77   77   77   77   77   78   78   78   78 
LCS_GDT     S    77_A     S    77_A     52   75   78     10   39   65   72   73   73   73   74   74   74   75   77   77   77   77   77   78   78   78   78 
LCS_GDT     R    78_A     R    78_A     37   75   78      9   33   65   72   73   73   73   74   74   74   75   77   77   77   77   77   78   78   78   78 
LCS_GDT     S    79_A     S    79_A     37   75   78      9   12   52   72   73   73   73   74   74   74   75   77   77   77   77   77   78   78   78   78 
LCS_GDT     L    80_A     L    80_A     37   75   78      9   12   53   72   73   73   73   74   74   74   75   77   77   77   77   77   78   78   78   78 
LCS_GDT     V    81_A     V    81_A     37   75   78      9   33   65   72   73   73   73   74   74   74   75   77   77   77   77   77   78   78   78   78 
LCS_GDT     D    82_A     D    82_A     37   75   78     12   33   65   72   73   73   73   74   74   74   75   77   77   77   77   77   78   78   78   78 
LCS_GDT     G    83_A     G    83_A     37   75   78      9   33   65   72   73   73   73   74   74   74   75   77   77   77   77   77   78   78   78   78 
LCS_GDT     I    84_A     I    84_A     37   75   78      9   33   65   72   73   73   73   74   74   74   75   77   77   77   77   77   78   78   78   78 
LCS_GDT     E    85_A     E    85_A     37   75   78      9   23   65   72   73   73   73   74   74   74   75   77   77   77   77   77   78   78   78   78 
LCS_GDT     E    86_A     E    86_A     37   75   78     12   33   65   72   73   73   73   74   74   74   75   77   77   77   77   77   78   78   78   78 
LCS_GDT     D    87_A     D    87_A     37   75   78      4   33   65   72   73   73   73   74   74   74   75   77   77   77   77   77   78   78   78   78 
LCS_GDT     G    88_A     G    88_A     37   75   78      8   32   65   72   73   73   73   74   74   74   75   77   77   77   77   77   78   78   78   78 
LCS_GDT     F    89_A     F    89_A     37   75   78      4    6   12   71   73   73   73   74   74   74   75   77   77   77   77   77   78   78   78   78 
LCS_GDT     G    90_A     G    90_A     37   75   78      4    6   61   72   73   73   73   74   74   74   75   77   77   77   77   77   78   78   78   78 
LCS_GDT     K    91_A     K    91_A     37   75   78      4   33   65   72   73   73   73   74   74   74   75   77   77   77   77   77   78   78   78   78 
LCS_GDT     F    92_A     F    92_A     31   75   78      5   20   65   72   73   73   73   74   74   74   75   77   77   77   77   77   78   78   78   78 
LCS_GDT     K    93_A     K    93_A     31   75   78      7   23   65   72   73   73   73   74   74   74   75   77   77   77   77   77   78   78   78   78 
LCS_GDT     L    94_A     L    94_A     31   75   78      7   38   65   72   73   73   73   74   74   74   75   77   77   77   77   77   78   78   78   78 
LCS_GDT     R    95_A     R    95_A     31   75   78     18   39   65   72   73   73   73   74   74   74   75   77   77   77   77   77   78   78   78   78 
LCS_GDT     V    96_A     V    96_A     31   75   78     18   39   65   72   73   73   73   74   74   74   75   77   77   77   77   77   78   78   78   78 
LCS_GDT     M    97_A     M    97_A     31   75   78     18   39   65   72   73   73   73   74   74   74   75   77   77   77   77   77   78   78   78   78 
LCS_GDT     S    98_A     S    98_A     25   75   78      0   23   65   72   73   73   73   74   74   74   75   77   77   77   77   77   78   78   78   78 
LCS_AVERAGE  LCS_A:  83.10  (  56.67   92.64  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     18     39     65     72     73     73     73     74     74     74     75     77     77     77     77     77     78     78     78     78 
GDT PERCENT_AT  23.08  50.00  83.33  92.31  93.59  93.59  93.59  94.87  94.87  94.87  96.15  98.72  98.72  98.72  98.72  98.72 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.30   0.73   1.05   1.15   1.18   1.18   1.18   1.41   1.41   1.41   1.89   2.41   2.41   2.41   2.41   2.41   2.92   2.92   2.92   2.92
GDT RMS_ALL_AT   3.39   3.31   3.28   3.27   3.27   3.27   3.27   3.19   3.19   3.19   3.07   2.96   2.96   2.96   2.96   2.96   2.92   2.92   2.92   2.92

# Checking swapping
#   possible swapping detected:  F    21_A      F    21_A
#   possible swapping detected:  D    26_A      D    26_A
#   possible swapping detected:  E    38_A      E    38_A
#   possible swapping detected:  F    70_A      F    70_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    17.295     0    0.536   1.494    18.641    0.000    0.000
LGA    Q    22_A      Q    22_A    11.486     4    0.585   0.579    13.246    0.000    0.053
LGA    G    23_A      G    23_A    10.333     0    0.507   0.507    10.333    0.476    0.476
LGA    Q    24_A      Q    24_A    10.524     0    0.607   0.683    16.184    0.357    0.159
LGA    Q    25_A      Q    25_A     6.574     0    0.628   1.351    13.835   24.405   12.011
LGA    D    26_A      D    26_A     0.673     0    0.656   1.283     5.651   84.524   60.476
LGA    K    27_A      K    27_A     1.022     0    0.042   0.570     3.106   81.429   75.238
LGA    L    28_A      L    28_A     0.968     0    0.051   0.754     2.204   90.476   86.131
LGA    V    29_A      V    29_A     1.115     0    0.012   0.078     2.053   88.214   80.476
LGA    L    30_A      L    30_A     1.107     0    0.092   1.400     3.226   79.286   71.310
LGA    R    31_A      R    31_A     0.897     0    0.047   0.529     1.325   90.476   88.009
LGA    V    32_A      V    32_A     0.907     0    0.141   0.180     1.492   88.214   85.306
LGA    D    33_A      D    33_A     1.020     0    0.307   0.331     2.358   79.524   80.476
LGA    G    34_A      G    34_A     0.960     0    0.057   0.057     1.007   88.214   88.214
LGA    I    35_A      I    35_A     1.085     0    0.025   0.072     1.140   81.429   81.429
LGA    L    36_A      L    36_A     1.063     0    0.031   0.047     1.398   81.429   85.952
LGA    N    37_A      N    37_A     1.497     0    0.049   0.061     1.497   81.429   81.429
LGA    E    38_A      E    38_A     1.472     0    0.037   1.005     3.925   79.286   64.815
LGA    L    39_A      L    39_A     1.266     0    0.014   1.125     5.177   81.429   67.560
LGA    D    40_A      D    40_A     1.119     0    0.020   0.067     1.353   81.429   81.429
LGA    A    41_A      A    41_A     1.137     0    0.032   0.039     1.148   81.429   81.429
LGA    Q    42_A      Q    42_A     1.068     0    0.017   0.196     1.296   81.429   82.434
LGA    V    43_A      V    43_A     1.231     0    0.020   0.023     1.317   81.429   81.429
LGA    L    44_A      L    44_A     1.192     0    0.027   1.378     2.870   81.429   75.357
LGA    E    45_A      E    45_A     1.105     0    0.041   0.304     1.666   81.429   81.481
LGA    G    46_A      G    46_A     1.201     0    0.014   0.014     1.260   81.429   81.429
LGA    I    47_A      I    47_A     1.099     0    0.011   0.030     1.204   81.429   85.952
LGA    L    48_A      L    48_A     1.177     0    0.014   0.048     1.485   81.429   81.429
LGA    T    49_A      T    49_A     1.127     0    0.082   0.074     1.491   81.429   81.429
LGA    R    50_A      R    50_A     1.262     0    0.017   1.147     8.168   81.429   47.403
LGA    L    51_A      L    51_A     1.645     0    0.022   1.309     2.992   77.143   73.274
LGA    N    52_A      N    52_A     2.070     0    0.657   0.750     4.941   56.548   60.714
LGA    G    53_A      G    53_A     1.000     0    0.089   0.089     1.000   90.476   90.476
LGA    V    54_A      V    54_A     0.878     0    0.025   0.060     0.969   90.476   90.476
LGA    R    55_A      R    55_A     0.769     0    0.021   0.649     4.159   90.476   78.745
LGA    Q    56_A      Q    56_A     0.757     0    0.032   0.953     2.763   90.476   83.757
LGA    F    57_A      F    57_A     0.838     0    0.045   0.207     2.011   88.214   82.468
LGA    R    58_A      R    58_A     1.185     0    0.105   0.988     4.233   81.429   70.216
LGA    L    59_A      L    59_A     0.702     0    0.035   0.885     2.622   90.476   84.107
LGA    D    60_A      D    60_A     0.426     0    0.065   0.432     2.757  100.000   88.810
LGA    R    61_A      R    61_A     0.965     0    0.147   1.026     4.198   83.810   79.177
LGA    I    62_A      I    62_A     1.475     0    0.031   0.633     2.309   81.429   77.321
LGA    S    63_A      S    63_A     0.802     0    0.017   0.635     1.732   95.238   89.206
LGA    G    64_A      G    64_A     0.554     0    0.152   0.152     1.018   90.595   90.595
LGA    E    65_A      E    65_A     1.434     0    0.046   0.152     2.912   83.690   71.534
LGA    L    66_A      L    66_A     1.188     0    0.020   0.943     3.280   83.690   77.560
LGA    E    67_A      E    67_A     1.152     0    0.077   0.659     3.233   85.952   74.339
LGA    V    68_A      V    68_A     0.684     0    0.061   0.062     0.791   90.476   91.837
LGA    V    69_A      V    69_A     0.597     0    0.014   0.046     0.653   90.476   90.476
LGA    F    70_A      F    70_A     0.662     0    0.023   0.089     1.256   95.238   88.918
LGA    D    71_A      D    71_A     0.228     0    0.034   0.937     3.497  100.000   84.940
LGA    P    72_A      P    72_A     0.746     0    0.037   0.315     1.585   88.214   86.667
LGA    E    73_A      E    73_A     0.766     0    0.041   0.335     1.505   90.476   87.513
LGA    V    74_A      V    74_A     0.543     0    0.033   0.040     0.898   90.476   93.197
LGA    V    75_A      V    75_A     1.388     0    0.100   0.942     3.110   83.690   75.782
LGA    S    76_A      S    76_A     1.123     0    0.027   0.082     1.390   81.429   81.429
LGA    S    77_A      S    77_A     0.769     0    0.014   0.049     1.221   85.952   89.048
LGA    R    78_A      R    78_A     1.393     0    0.074   1.250     7.334   81.429   56.623
LGA    S    79_A      S    79_A     1.888     0    0.037   0.063     2.622   72.857   68.889
LGA    L    80_A      L    80_A     1.901     0    0.030   0.904     2.148   72.857   75.119
LGA    V    81_A      V    81_A     1.031     0    0.023   0.067     1.265   85.952   87.891
LGA    D    82_A      D    82_A     1.042     0    0.035   0.166     1.965   83.690   80.417
LGA    G    83_A      G    83_A     1.526     0    0.046   0.046     1.526   79.286   79.286
LGA    I    84_A      I    84_A     1.578     0    0.022   0.096     2.403   79.286   73.036
LGA    E    85_A      E    85_A     1.254     0    0.056   0.127     2.173   81.429   76.720
LGA    E    86_A      E    86_A     0.901     0    0.065   0.702     3.350   88.214   76.296
LGA    D    87_A      D    87_A     1.665     0    0.041   0.338     2.626   72.976   67.917
LGA    G    88_A      G    88_A     1.611     0    0.675   0.675     2.411   75.119   75.119
LGA    F    89_A      F    89_A     2.482     0    0.132   0.152     3.861   62.857   54.156
LGA    G    90_A      G    90_A     1.762     0    0.083   0.083     1.973   75.000   75.000
LGA    K    91_A      K    91_A     1.242     0    0.120   0.772     2.196   83.690   80.635
LGA    F    92_A      F    92_A     1.476     0    0.100   0.183     1.582   79.286   79.091
LGA    K    93_A      K    93_A     1.376     0    0.027   1.250     8.757   79.286   54.021
LGA    L    94_A      L    94_A     0.877     0    0.040   0.129     2.070   88.214   80.595
LGA    R    95_A      R    95_A     0.507     0    0.066   0.973     5.048   97.619   74.113
LGA    V    96_A      V    96_A     0.768     0    0.039   0.042     1.343   88.214   85.306
LGA    M    97_A      M    97_A     0.759     0    0.311   0.735     2.511   88.214   86.369
LGA    S    98_A      S    98_A     1.622     1    0.641   0.605     2.405   75.119   60.873

# 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):     2.925          2.864                  3.528           78.762   73.728

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  100   78    4.0     74    1.41    83.974    90.186     4.912

LGA_LOCAL      RMSD:   1.406  Number of atoms:   74  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.192  Number of assigned atoms:   78 
Std_ASGN_ATOMS RMSD:   2.925  Standard rmsd on all 78 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.974085 * X  +   0.080209 * Y  +  -0.211484 * Z  +  20.987499
  Y_new =   0.224961 * X  +   0.246463 * Y  +  -0.942682 * Z  + -42.192585
  Z_new =  -0.023489 * X  +  -0.965827 * Y  +  -0.258120 * Z  +   9.314670 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.914626  0.023491 -1.831946   [DEG:  166.9958    1.3459 -104.9628 ]
ZXZ: -0.220689  1.831872 -3.117278   [DEG:  -12.6446  104.9585 -178.6069 ]
 
# END of job
