
#######################################################
#                                                     #
#                        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        1.36     1.36
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    78      21_A - 98_A        1.36     1.36
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    77      22_A - 98_A        0.97     1.40
  LCS_AVERAGE:     97.50

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   78   78      3    4    4    4    5    6   19   24   39   62   77   78   78   78   78   78   78   78   78   78 
LCS_GDT     Q    22_A     Q    22_A     77   78   78      4    7    9   50   76   77   77   77   77   77   77   78   78   78   78   78   78   78   78   78 
LCS_GDT     G    23_A     G    23_A     77   78   78      3   53   73   75   76   77   77   77   77   77   77   78   78   78   78   78   78   78   78   78 
LCS_GDT     Q    24_A     Q    24_A     77   78   78     21   64   73   75   76   77   77   77   77   77   77   78   78   78   78   78   78   78   78   78 
LCS_GDT     Q    25_A     Q    25_A     77   78   78     36   65   73   75   76   77   77   77   77   77   77   78   78   78   78   78   78   78   78   78 
LCS_GDT     D    26_A     D    26_A     77   78   78     36   65   73   75   76   77   77   77   77   77   77   78   78   78   78   78   78   78   78   78 
LCS_GDT     K    27_A     K    27_A     77   78   78     20   65   73   75   76   77   77   77   77   77   77   78   78   78   78   78   78   78   78   78 
LCS_GDT     L    28_A     L    28_A     77   78   78     36   65   73   75   76   77   77   77   77   77   77   78   78   78   78   78   78   78   78   78 
LCS_GDT     V    29_A     V    29_A     77   78   78     36   65   73   75   76   77   77   77   77   77   77   78   78   78   78   78   78   78   78   78 
LCS_GDT     L    30_A     L    30_A     77   78   78     18   65   73   75   76   77   77   77   77   77   77   78   78   78   78   78   78   78   78   78 
LCS_GDT     R    31_A     R    31_A     77   78   78     36   65   73   75   76   77   77   77   77   77   77   78   78   78   78   78   78   78   78   78 
LCS_GDT     V    32_A     V    32_A     77   78   78     36   65   73   75   76   77   77   77   77   77   77   78   78   78   78   78   78   78   78   78 
LCS_GDT     D    33_A     D    33_A     77   78   78     25   65   73   75   76   77   77   77   77   77   77   78   78   78   78   78   78   78   78   78 
LCS_GDT     G    34_A     G    34_A     77   78   78     22   65   73   75   76   77   77   77   77   77   77   78   78   78   78   78   78   78   78   78 
LCS_GDT     I    35_A     I    35_A     77   78   78     22   65   73   75   76   77   77   77   77   77   77   78   78   78   78   78   78   78   78   78 
LCS_GDT     L    36_A     L    36_A     77   78   78     14   54   73   75   76   77   77   77   77   77   77   78   78   78   78   78   78   78   78   78 
LCS_GDT     N    37_A     N    37_A     77   78   78     20   64   73   75   76   77   77   77   77   77   77   78   78   78   78   78   78   78   78   78 
LCS_GDT     E    38_A     E    38_A     77   78   78     17   63   73   75   76   77   77   77   77   77   77   78   78   78   78   78   78   78   78   78 
LCS_GDT     L    39_A     L    39_A     77   78   78     20   65   73   75   76   77   77   77   77   77   77   78   78   78   78   78   78   78   78   78 
LCS_GDT     D    40_A     D    40_A     77   78   78     20   65   73   75   76   77   77   77   77   77   77   78   78   78   78   78   78   78   78   78 
LCS_GDT     A    41_A     A    41_A     77   78   78     20   65   73   75   76   77   77   77   77   77   77   78   78   78   78   78   78   78   78   78 
LCS_GDT     Q    42_A     Q    42_A     77   78   78     29   65   73   75   76   77   77   77   77   77   77   78   78   78   78   78   78   78   78   78 
LCS_GDT     V    43_A     V    43_A     77   78   78     34   65   73   75   76   77   77   77   77   77   77   78   78   78   78   78   78   78   78   78 
LCS_GDT     L    44_A     L    44_A     77   78   78     34   65   73   75   76   77   77   77   77   77   77   78   78   78   78   78   78   78   78   78 
LCS_GDT     E    45_A     E    45_A     77   78   78     34   65   73   75   76   77   77   77   77   77   77   78   78   78   78   78   78   78   78   78 
LCS_GDT     G    46_A     G    46_A     77   78   78     36   65   73   75   76   77   77   77   77   77   77   78   78   78   78   78   78   78   78   78 
LCS_GDT     I    47_A     I    47_A     77   78   78     36   65   73   75   76   77   77   77   77   77   77   78   78   78   78   78   78   78   78   78 
LCS_GDT     L    48_A     L    48_A     77   78   78     36   65   73   75   76   77   77   77   77   77   77   78   78   78   78   78   78   78   78   78 
LCS_GDT     T    49_A     T    49_A     77   78   78     23   65   73   75   76   77   77   77   77   77   77   78   78   78   78   78   78   78   78   78 
LCS_GDT     R    50_A     R    50_A     77   78   78     14   65   73   75   76   77   77   77   77   77   77   78   78   78   78   78   78   78   78   78 
LCS_GDT     L    51_A     L    51_A     77   78   78     36   65   73   75   76   77   77   77   77   77   77   78   78   78   78   78   78   78   78   78 
LCS_GDT     N    52_A     N    52_A     77   78   78     36   65   73   75   76   77   77   77   77   77   77   78   78   78   78   78   78   78   78   78 
LCS_GDT     G    53_A     G    53_A     77   78   78     36   65   73   75   76   77   77   77   77   77   77   78   78   78   78   78   78   78   78   78 
LCS_GDT     V    54_A     V    54_A     77   78   78     36   65   73   75   76   77   77   77   77   77   77   78   78   78   78   78   78   78   78   78 
LCS_GDT     R    55_A     R    55_A     77   78   78     36   65   73   75   76   77   77   77   77   77   77   78   78   78   78   78   78   78   78   78 
LCS_GDT     Q    56_A     Q    56_A     77   78   78     36   65   73   75   76   77   77   77   77   77   77   78   78   78   78   78   78   78   78   78 
LCS_GDT     F    57_A     F    57_A     77   78   78     23   63   73   75   76   77   77   77   77   77   77   78   78   78   78   78   78   78   78   78 
LCS_GDT     R    58_A     R    58_A     77   78   78     23   65   73   75   76   77   77   77   77   77   77   78   78   78   78   78   78   78   78   78 
LCS_GDT     L    59_A     L    59_A     77   78   78     36   65   73   75   76   77   77   77   77   77   77   78   78   78   78   78   78   78   78   78 
LCS_GDT     D    60_A     D    60_A     77   78   78     22   65   73   75   76   77   77   77   77   77   77   78   78   78   78   78   78   78   78   78 
LCS_GDT     R    61_A     R    61_A     77   78   78      4   55   73   75   76   77   77   77   77   77   77   78   78   78   78   78   78   78   78   78 
LCS_GDT     I    62_A     I    62_A     77   78   78      5    9   21   75   76   77   77   77   77   77   77   78   78   78   78   78   78   78   78   78 
LCS_GDT     S    63_A     S    63_A     77   78   78      5   52   73   75   76   77   77   77   77   77   77   78   78   78   78   78   78   78   78   78 
LCS_GDT     G    64_A     G    64_A     77   78   78     22   65   73   75   76   77   77   77   77   77   77   78   78   78   78   78   78   78   78   78 
LCS_GDT     E    65_A     E    65_A     77   78   78     35   65   73   75   76   77   77   77   77   77   77   78   78   78   78   78   78   78   78   78 
LCS_GDT     L    66_A     L    66_A     77   78   78     23   65   73   75   76   77   77   77   77   77   77   78   78   78   78   78   78   78   78   78 
LCS_GDT     E    67_A     E    67_A     77   78   78     36   65   73   75   76   77   77   77   77   77   77   78   78   78   78   78   78   78   78   78 
LCS_GDT     V    68_A     V    68_A     77   78   78     36   65   73   75   76   77   77   77   77   77   77   78   78   78   78   78   78   78   78   78 
LCS_GDT     V    69_A     V    69_A     77   78   78     36   65   73   75   76   77   77   77   77   77   77   78   78   78   78   78   78   78   78   78 
LCS_GDT     F    70_A     F    70_A     77   78   78     36   65   73   75   76   77   77   77   77   77   77   78   78   78   78   78   78   78   78   78 
LCS_GDT     D    71_A     D    71_A     77   78   78     29   65   73   75   76   77   77   77   77   77   77   78   78   78   78   78   78   78   78   78 
LCS_GDT     P    72_A     P    72_A     77   78   78     20   65   73   75   76   77   77   77   77   77   77   78   78   78   78   78   78   78   78   78 
LCS_GDT     E    73_A     E    73_A     77   78   78     23   64   73   75   76   77   77   77   77   77   77   78   78   78   78   78   78   78   78   78 
LCS_GDT     V    74_A     V    74_A     77   78   78     29   65   73   75   76   77   77   77   77   77   77   78   78   78   78   78   78   78   78   78 
LCS_GDT     V    75_A     V    75_A     77   78   78     36   65   73   75   76   77   77   77   77   77   77   78   78   78   78   78   78   78   78   78 
LCS_GDT     S    76_A     S    76_A     77   78   78     36   65   73   75   76   77   77   77   77   77   77   78   78   78   78   78   78   78   78   78 
LCS_GDT     S    77_A     S    77_A     77   78   78     20   65   73   75   76   77   77   77   77   77   77   78   78   78   78   78   78   78   78   78 
LCS_GDT     R    78_A     R    78_A     77   78   78     17   65   73   75   76   77   77   77   77   77   77   78   78   78   78   78   78   78   78   78 
LCS_GDT     S    79_A     S    79_A     77   78   78     36   65   73   75   76   77   77   77   77   77   77   78   78   78   78   78   78   78   78   78 
LCS_GDT     L    80_A     L    80_A     77   78   78     36   65   73   75   76   77   77   77   77   77   77   78   78   78   78   78   78   78   78   78 
LCS_GDT     V    81_A     V    81_A     77   78   78     36   65   73   75   76   77   77   77   77   77   77   78   78   78   78   78   78   78   78   78 
LCS_GDT     D    82_A     D    82_A     77   78   78     36   65   73   75   76   77   77   77   77   77   77   78   78   78   78   78   78   78   78   78 
LCS_GDT     G    83_A     G    83_A     77   78   78     36   65   73   75   76   77   77   77   77   77   77   78   78   78   78   78   78   78   78   78 
LCS_GDT     I    84_A     I    84_A     77   78   78     36   65   73   75   76   77   77   77   77   77   77   78   78   78   78   78   78   78   78   78 
LCS_GDT     E    85_A     E    85_A     77   78   78     36   65   73   75   76   77   77   77   77   77   77   78   78   78   78   78   78   78   78   78 
LCS_GDT     E    86_A     E    86_A     77   78   78     36   65   73   75   76   77   77   77   77   77   77   78   78   78   78   78   78   78   78   78 
LCS_GDT     D    87_A     D    87_A     77   78   78     36   65   73   75   76   77   77   77   77   77   77   78   78   78   78   78   78   78   78   78 
LCS_GDT     G    88_A     G    88_A     77   78   78     36   65   73   75   76   77   77   77   77   77   77   78   78   78   78   78   78   78   78   78 
LCS_GDT     F    89_A     F    89_A     77   78   78     36   65   73   75   76   77   77   77   77   77   77   78   78   78   78   78   78   78   78   78 
LCS_GDT     G    90_A     G    90_A     77   78   78     24   65   73   75   76   77   77   77   77   77   77   78   78   78   78   78   78   78   78   78 
LCS_GDT     K    91_A     K    91_A     77   78   78     19   65   73   75   76   77   77   77   77   77   77   78   78   78   78   78   78   78   78   78 
LCS_GDT     F    92_A     F    92_A     77   78   78     36   65   73   75   76   77   77   77   77   77   77   78   78   78   78   78   78   78   78   78 
LCS_GDT     K    93_A     K    93_A     77   78   78     36   65   73   75   76   77   77   77   77   77   77   78   78   78   78   78   78   78   78   78 
LCS_GDT     L    94_A     L    94_A     77   78   78     26   65   73   75   76   77   77   77   77   77   77   78   78   78   78   78   78   78   78   78 
LCS_GDT     R    95_A     R    95_A     77   78   78     36   65   73   75   76   77   77   77   77   77   77   78   78   78   78   78   78   78   78   78 
LCS_GDT     V    96_A     V    96_A     77   78   78     31   65   73   75   76   77   77   77   77   77   77   78   78   78   78   78   78   78   78   78 
LCS_GDT     M    97_A     M    97_A     77   78   78     35   65   73   75   76   77   77   77   77   77   77   78   78   78   78   78   78   78   78   78 
LCS_GDT     S    98_A     S    98_A     77   78   78      0   37   68   75   76   77   77   77   77   77   77   78   78   78   78   78   78   78   78   78 
LCS_AVERAGE  LCS_A:  99.17  (  97.50  100.00  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     36     65     73     75     76     77     77     77     77     77     77     78     78     78     78     78     78     78     78     78 
GDT PERCENT_AT  46.15  83.33  93.59  96.15  97.44  98.72  98.72  98.72  98.72  98.72  98.72 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.35   0.60   0.71   0.78   0.83   0.97   0.97   0.97   0.97   0.97   0.97   1.36   1.36   1.36   1.36   1.36   1.36   1.36   1.36   1.36
GDT RMS_ALL_AT   1.52   1.48   1.45   1.43   1.43   1.40   1.40   1.40   1.40   1.40   1.40   1.36   1.36   1.36   1.36   1.36   1.36   1.36   1.36   1.36

# Checking swapping
#   possible swapping detected:  F    21_A      F    21_A
#   possible swapping detected:  D    33_A      D    33_A
#   possible swapping detected:  E    45_A      E    45_A
#   possible swapping detected:  F    57_A      F    57_A
#   possible swapping detected:  E    73_A      E    73_A
#   possible swapping detected:  D    82_A      D    82_A
#   possible swapping detected:  E    85_A      E    85_A
#   possible swapping detected:  E    86_A      E    86_A
#   possible swapping detected:  D    87_A      D    87_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    F    21_A      F    21_A     8.955     0    0.344   0.947    12.731    4.405    2.294
LGA    Q    22_A      Q    22_A     4.276     4    0.623   0.604     5.618   51.190   26.878
LGA    G    23_A      G    23_A     1.830     0    0.233   0.233     3.046   69.286   69.286
LGA    Q    24_A      Q    24_A     0.946     0    0.168   0.292     1.373   88.214   85.450
LGA    Q    25_A      Q    25_A     0.463     0    0.037   0.972     2.252   92.857   85.820
LGA    D    26_A      D    26_A     0.669     0    0.080   0.628     1.655   90.476   86.071
LGA    K    27_A      K    27_A     1.113     0    0.142   0.539     2.305   79.286   77.672
LGA    L    28_A      L    28_A     0.710     0    0.037   0.102     0.767   90.476   92.857
LGA    V    29_A      V    29_A     0.885     0    0.017   0.052     1.355   90.476   86.599
LGA    L    30_A      L    30_A     0.881     0    0.074   0.101     1.263   88.214   89.345
LGA    R    31_A      R    31_A     0.577     0    0.015   0.787     1.657   90.476   88.139
LGA    V    32_A      V    32_A     0.380     0    0.038   0.049     0.860   97.619   94.558
LGA    D    33_A      D    33_A     0.629     0    0.090   0.920     3.125   92.857   83.274
LGA    G    34_A      G    34_A     0.836     0    0.020   0.020     1.037   88.214   88.214
LGA    I    35_A      I    35_A     0.816     0    0.024   0.119     1.177   85.952   90.595
LGA    L    36_A      L    36_A     1.453     0    0.070   0.349     2.280   79.286   73.036
LGA    N    37_A      N    37_A     0.804     0    0.062   1.184     4.493   90.476   77.381
LGA    E    38_A      E    38_A     0.945     0    0.022   1.051     3.393   88.214   72.063
LGA    L    39_A      L    39_A     0.668     0    0.018   0.638     2.020   90.476   83.929
LGA    D    40_A      D    40_A     0.783     0    0.030   0.337     1.505   90.476   86.012
LGA    A    41_A      A    41_A     0.599     0    0.017   0.031     0.717   95.238   94.286
LGA    Q    42_A      Q    42_A     0.348     0    0.016   0.585     1.747  100.000   94.921
LGA    V    43_A      V    43_A     0.375     0    0.012   0.034     0.412  100.000  100.000
LGA    L    44_A      L    44_A     0.373     0    0.017   0.233     1.046  100.000   96.488
LGA    E    45_A      E    45_A     0.416     0    0.048   0.351     1.098   97.619   94.762
LGA    G    46_A      G    46_A     0.471     0    0.033   0.033     0.565   95.238   95.238
LGA    I    47_A      I    47_A     0.496     0    0.030   0.057     0.591   95.238   96.429
LGA    L    48_A      L    48_A     0.503     0    0.023   0.214     0.697   90.476   92.857
LGA    T    49_A      T    49_A     1.076     0    0.029   0.830     2.792   83.690   80.544
LGA    R    50_A      R    50_A     1.322     0    0.065   0.551     3.937   83.690   71.212
LGA    L    51_A      L    51_A     0.498     0    0.027   1.294     2.666   95.238   86.667
LGA    N    52_A      N    52_A     0.356     0    0.011   0.846     2.824  100.000   92.262
LGA    G    53_A      G    53_A     0.410     0    0.012   0.012     0.410  100.000  100.000
LGA    V    54_A      V    54_A     0.411     0    0.025   0.044     0.493  100.000  100.000
LGA    R    55_A      R    55_A     0.511     0    0.030   1.329     6.172   92.857   69.264
LGA    Q    56_A      Q    56_A     0.632     0    0.046   0.662     2.345   90.476   84.656
LGA    F    57_A      F    57_A     1.344     0    0.008   0.064     1.817   81.429   77.532
LGA    R    58_A      R    58_A     1.304     0    0.082   1.176     6.299   83.690   64.545
LGA    L    59_A      L    59_A     0.923     0    0.041   0.112     1.196   90.595   90.536
LGA    D    60_A      D    60_A     0.733     0    0.074   0.162     2.486   90.476   81.726
LGA    R    61_A      R    61_A     1.258     0    0.042   1.207     5.075   77.381   69.091
LGA    I    62_A      I    62_A     2.515     0    0.018   0.103     3.976   62.976   54.821
LGA    S    63_A      S    63_A     1.527     0    0.018   0.674     2.460   81.667   77.381
LGA    G    64_A      G    64_A     0.593     0    0.143   0.143     0.861   92.857   92.857
LGA    E    65_A      E    65_A     0.669     0    0.029   0.713     3.465   95.238   83.175
LGA    L    66_A      L    66_A     1.077     0    0.074   0.091     1.167   81.429   83.690
LGA    E    67_A      E    67_A     1.046     0    0.042   0.633     1.762   83.690   80.529
LGA    V    68_A      V    68_A     0.797     0    0.048   0.093     0.928   90.476   90.476
LGA    V    69_A      V    69_A     0.647     0    0.057   0.102     0.987   90.476   90.476
LGA    F    70_A      F    70_A     0.407     0    0.037   0.288     2.033   97.619   86.710
LGA    D    71_A      D    71_A     0.396     0    0.012   0.466     2.205  100.000   92.083
LGA    P    72_A      P    72_A     0.753     0    0.020   0.039     1.072   90.476   87.891
LGA    E    73_A      E    73_A     0.858     0    0.077   0.472     2.296   90.476   85.608
LGA    V    74_A      V    74_A     0.523     0    0.053   0.060     0.588   92.857   91.837
LGA    V    75_A      V    75_A     0.418     0    0.066   0.074     0.820   95.238   95.918
LGA    S    76_A      S    76_A     0.598     0    0.045   0.752     2.488   95.238   89.365
LGA    S    77_A      S    77_A     0.787     0    0.020   0.049     0.933   90.476   90.476
LGA    R    78_A      R    78_A     0.948     0    0.047   1.327     7.475   90.476   62.165
LGA    S    79_A      S    79_A     0.488     0    0.013   0.035     0.810   97.619   95.238
LGA    L    80_A      L    80_A     0.532     0    0.015   0.593     1.556   92.857   88.333
LGA    V    81_A      V    81_A     0.527     0    0.033   0.058     0.733   92.857   91.837
LGA    D    82_A      D    82_A     0.396     0    0.089   0.736     3.039  100.000   86.845
LGA    G    83_A      G    83_A     0.445     0    0.054   0.054     0.522   97.619   97.619
LGA    I    84_A      I    84_A     0.280     0    0.030   0.155     0.492  100.000  100.000
LGA    E    85_A      E    85_A     0.292     0    0.032   0.642     1.974  100.000   93.862
LGA    E    86_A      E    86_A     0.306     0    0.032   0.548     1.362  100.000   95.873
LGA    D    87_A      D    87_A     0.479     0    0.037   0.753     3.651  100.000   82.917
LGA    G    88_A      G    88_A     0.124     0    0.046   0.046     0.653   97.619   97.619
LGA    F    89_A      F    89_A     0.235     0    0.043   0.181     1.077   95.238   91.429
LGA    G    90_A      G    90_A     0.813     0    0.066   0.066     0.931   90.476   90.476
LGA    K    91_A      K    91_A     0.808     0    0.011   0.455     2.221   90.476   79.841
LGA    F    92_A      F    92_A     0.332     0    0.015   0.068     1.464  100.000   90.649
LGA    K    93_A      K    93_A     0.226     0    0.069   0.998     5.580  100.000   76.296
LGA    L    94_A      L    94_A     0.716     0    0.032   0.679     2.132   90.476   83.929
LGA    R    95_A      R    95_A     0.627     0    0.065   1.231     5.633   92.857   69.394
LGA    V    96_A      V    96_A     0.712     0    0.063   0.080     0.864   90.476   90.476
LGA    M    97_A      M    97_A     0.708     0    0.254   0.733     1.976   92.857   89.524
LGA    S    98_A      S    98_A     2.022     1    0.637   0.586     3.636   61.429   50.476

# 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):     1.363          1.362                  1.973           89.574   83.982

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  100   78    4.0     77    0.97    94.551    97.380     7.228

LGA_LOCAL      RMSD:   0.965  Number of atoms:   77  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.396  Number of assigned atoms:   78 
Std_ASGN_ATOMS RMSD:   1.363  Standard rmsd on all 78 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.751567 * X  +  -0.610712 * Y  +  -0.249353 * Z  +   8.371924
  Y_new =   0.601941 * X  +  -0.789553 * Y  +   0.119471 * Z  +  -9.129930
  Z_new =  -0.269840 * X  +  -0.060305 * Y  +   0.961015 * Z  +  -8.164237 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.466295  0.273227 -0.062670   [DEG:  141.3083   15.6547   -3.5907 ]
ZXZ: -2.017604  0.280147 -1.790669   [DEG: -115.6002   16.0512 -102.5978 ]
 
# END of job
