
#######################################################
#                                                     #
#                        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  102 (  824),  selected   83 , name one
# Molecule2: number of CA atoms   83 (  673),  selected   83 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    82       7_A - 88_A        4.11     5.10
  LCS_AVERAGE:     98.77

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    78      10_A - 87_A        1.95     5.65
  LONGEST_CONTINUOUS_SEGMENT:    78      11_A - 88_A        1.70     5.82
  LCS_AVERAGE:     89.85

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    73      12_A - 84_A        0.87     5.91
  LONGEST_CONTINUOUS_SEGMENT:    73      13_A - 85_A        0.99     5.96
  LCS_AVERAGE:     79.88

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   83
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     R     6_B     R     6_A      5    7   80      0    4    5    5    7    7    7    8    8    8    9   10   11   12   12   13   19   20   21   22 
LCS_GDT     K     7_B     K     7_A      6    7   82      4    5    6    6    7    7    7    8    8    9   10   15   24   25   28   29   38   45   50   57 
LCS_GDT     P     8_B     P     8_A      6    7   82      4    5    6    6    7    7    7    8    8   11   16   29   33   36   49   62   68   70   73   77 
LCS_GDT     K     9_B     K     9_A      6    7   82      4    5    6    6    7   12   17   30   40   44   53   63   68   71   76   77   80   80   80   80 
LCS_GDT     A    10_B     A    10_A      6   78   82      4    4    7   11   22   32   48   58   68   72   75   78   79   79   79   79   80   80   80   80 
LCS_GDT     K    11_B     K    11_A     58   78   82      3   10   21   39   58   67   73   74   76   77   78   78   79   79   79   79   80   80   80   80 
LCS_GDT     R    12_B     R    12_A     73   78   82      5   30   61   71   72   73   73   75   76   77   78   78   79   79   79   79   80   80   80   80 
LCS_GDT     T    13_B     T    13_A     73   78   82      8   54   69   71   72   73   73   75   76   77   78   78   79   79   79   79   80   80   80   80 
LCS_GDT     W    14_B     W    14_A     73   78   82     27   64   69   71   72   73   73   75   76   77   78   78   79   79   79   79   80   80   80   80 
LCS_GDT     S    15_B     S    15_A     73   78   82     27   64   69   71   72   73   73   75   76   77   78   78   79   79   79   79   80   80   80   80 
LCS_GDT     K    16_B     K    16_A     73   78   82     33   64   69   71   72   73   73   75   76   77   78   78   79   79   79   79   80   80   80   80 
LCS_GDT     E    17_B     E    17_A     73   78   82     27   64   69   71   72   73   73   75   76   77   78   78   79   79   79   79   80   80   80   80 
LCS_GDT     E    18_B     E    18_A     73   78   82     44   64   69   71   72   73   73   75   76   77   78   78   79   79   79   79   80   80   80   80 
LCS_GDT     E    19_B     E    19_A     73   78   82     45   64   69   71   72   73   73   75   76   77   78   78   79   79   79   79   80   80   80   80 
LCS_GDT     E    20_B     E    20_A     73   78   82     40   64   69   71   72   73   73   75   76   77   78   78   79   79   79   79   80   80   80   80 
LCS_GDT     A    21_B     A    21_A     73   78   82     45   64   69   71   72   73   73   75   76   77   78   78   79   79   79   79   80   80   80   80 
LCS_GDT     L    22_B     L    22_A     73   78   82     45   64   69   71   72   73   73   75   76   77   78   78   79   79   79   79   80   80   80   80 
LCS_GDT     V    23_B     V    23_A     73   78   82     45   64   69   71   72   73   73   75   76   77   78   78   79   79   79   79   80   80   80   80 
LCS_GDT     E    24_B     E    24_A     73   78   82     45   64   69   71   72   73   73   75   76   77   78   78   79   79   79   79   80   80   80   80 
LCS_GDT     G    25_B     G    25_A     73   78   82     45   64   69   71   72   73   73   75   76   77   78   78   79   79   79   79   80   80   80   80 
LCS_GDT     L    26_B     L    26_A     73   78   82     45   64   69   71   72   73   73   75   76   77   78   78   79   79   79   79   80   80   80   80 
LCS_GDT     K    27_B     K    27_A     73   78   82     45   64   69   71   72   73   73   75   76   77   78   78   79   79   79   79   80   80   80   80 
LCS_GDT     E    28_B     E    28_A     73   78   82     45   64   69   71   72   73   73   75   76   77   78   78   79   79   79   79   80   80   80   80 
LCS_GDT     V    29_B     V    29_A     73   78   82     39   64   69   71   72   73   73   75   76   77   78   78   79   79   79   79   80   80   80   80 
LCS_GDT     G    30_B     G    30_A     73   78   82     39   64   69   71   72   73   73   75   76   77   78   78   79   79   79   79   80   80   80   80 
LCS_GDT     P    31_B     P    31_A     73   78   82     45   64   69   71   72   73   73   75   76   77   78   78   79   79   79   79   80   80   80   80 
LCS_GDT     S    32_B     S    32_A     73   78   82     45   64   69   71   72   73   73   75   76   77   78   78   79   79   79   79   80   80   80   80 
LCS_GDT     W    33_B     W    33_A     73   78   82     45   64   69   71   72   73   73   75   76   77   78   78   79   79   79   79   80   80   80   80 
LCS_GDT     S    34_B     S    34_A     73   78   82     45   64   69   71   72   73   73   75   76   77   78   78   79   79   79   79   80   80   80   80 
LCS_GDT     K    35_B     K    35_A     73   78   82     45   64   69   71   72   73   73   75   76   77   78   78   79   79   79   79   80   80   80   80 
LCS_GDT     I    36_B     I    36_A     73   78   82     45   64   69   71   72   73   73   75   76   77   78   78   79   79   79   79   80   80   80   80 
LCS_GDT     L    37_B     L    37_A     73   78   82     45   64   69   71   72   73   73   75   76   77   78   78   79   79   79   79   80   80   80   80 
LCS_GDT     D    38_B     D    38_A     73   78   82     45   64   69   71   72   73   73   75   76   77   78   78   79   79   79   79   80   80   80   80 
LCS_GDT     L    39_B     L    39_A     73   78   82     45   64   69   71   72   73   73   75   76   77   78   78   79   79   79   79   80   80   80   80 
LCS_GDT     Y    40_B     Y    40_A     73   78   82     45   64   69   71   72   73   73   75   76   77   78   78   79   79   79   79   80   80   80   80 
LCS_GDT     G    41_B     G    41_A     73   78   82     45   64   69   71   72   73   73   75   76   77   78   78   79   79   79   79   80   80   80   80 
LCS_GDT     P    42_B     P    42_A     73   78   82     45   64   69   71   72   73   73   75   76   77   78   78   79   79   79   79   80   80   80   80 
LCS_GDT     G    43_B     G    43_A     73   78   82     45   64   69   71   72   73   73   75   76   77   78   78   79   79   79   79   80   80   80   80 
LCS_GDT     G    44_B     G    44_A     73   78   82     40   64   69   71   72   73   73   75   76   77   78   78   79   79   79   79   80   80   80   80 
LCS_GDT     K    45_B     K    45_A     73   78   82     29   63   69   71   72   73   73   75   76   77   78   78   79   79   79   79   80   80   80   80 
LCS_GDT     I    46_B     I    46_A     73   78   82     29   60   69   71   72   73   73   75   76   77   78   78   79   79   79   79   80   80   80   80 
LCS_GDT     T    47_B     T    47_A     73   78   82     36   64   69   71   72   73   73   75   76   77   78   78   79   79   79   79   80   80   80   80 
LCS_GDT     E    48_B     E    48_A     73   78   82     45   64   69   71   72   73   73   75   76   77   78   78   79   79   79   79   80   80   80   80 
LCS_GDT     N    49_B     N    49_A     73   78   82     38   64   69   71   72   73   73   75   76   77   78   78   79   79   79   79   80   80   80   80 
LCS_GDT     L    50_B     L    50_A     73   78   82     43   64   69   71   72   73   73   75   76   77   78   78   79   79   79   79   80   80   80   80 
LCS_GDT     K    51_B     K    51_A     73   78   82     45   64   69   71   72   73   73   75   76   77   78   78   79   79   79   79   80   80   80   80 
LCS_GDT     N    52_B     N    52_A     73   78   82     45   64   69   71   72   73   73   75   76   77   78   78   79   79   79   79   80   80   80   80 
LCS_GDT     R    53_B     R    53_A     73   78   82     45   64   69   71   72   73   73   75   76   77   78   78   79   79   79   79   80   80   80   80 
LCS_GDT     T    54_B     T    54_A     73   78   82     45   64   69   71   72   73   73   75   76   77   78   78   79   79   79   79   80   80   80   80 
LCS_GDT     Q    55_B     Q    55_A     73   78   82     45   64   69   71   72   73   73   75   76   77   78   78   79   79   79   79   80   80   80   80 
LCS_GDT     V    56_B     V    56_A     73   78   82     45   64   69   71   72   73   73   75   76   77   78   78   79   79   79   79   80   80   80   80 
LCS_GDT     Q    57_B     Q    57_A     73   78   82     45   64   69   71   72   73   73   75   76   77   78   78   79   79   79   79   80   80   80   80 
LCS_GDT     L    58_B     L    58_A     73   78   82     45   64   69   71   72   73   73   75   76   77   78   78   79   79   79   79   80   80   80   80 
LCS_GDT     K    59_B     K    59_A     73   78   82     45   64   69   71   72   73   73   75   76   77   78   78   79   79   79   79   80   80   80   80 
LCS_GDT     D    60_B     D    60_A     73   78   82     45   64   69   71   72   73   73   75   76   77   78   78   79   79   79   79   80   80   80   80 
LCS_GDT     K    61_B     K    61_A     73   78   82     45   64   69   71   72   73   73   75   76   77   78   78   79   79   79   79   80   80   80   80 
LCS_GDT     A    62_B     A    62_A     73   78   82     45   64   69   71   72   73   73   75   76   77   78   78   79   79   79   79   80   80   80   80 
LCS_GDT     R    63_B     R    63_A     73   78   82     45   64   69   71   72   73   73   75   76   77   78   78   79   79   79   79   80   80   80   80 
LCS_GDT     N    64_B     N    64_A     73   78   82     45   64   69   71   72   73   73   75   76   77   78   78   79   79   79   79   80   80   80   80 
LCS_GDT     W    65_B     W    65_A     73   78   82     45   64   69   71   72   73   73   75   76   77   78   78   79   79   79   79   80   80   80   80 
LCS_GDT     K    66_B     K    66_A     73   78   82     45   64   69   71   72   73   73   75   76   77   78   78   79   79   79   79   80   80   80   80 
LCS_GDT     L    67_B     L    67_A     73   78   82     45   64   69   71   72   73   73   75   76   77   78   78   79   79   79   79   80   80   80   80 
LCS_GDT     Q    68_B     Q    68_A     73   78   82     45   64   69   71   72   73   73   75   76   77   78   78   79   79   79   79   80   80   80   80 
LCS_GDT     Y    69_B     Y    69_A     73   78   82     28   64   69   71   72   73   73   75   76   77   78   78   79   79   79   79   80   80   80   80 
LCS_GDT     L    70_B     L    70_A     73   78   82     44   64   69   71   72   73   73   75   76   77   78   78   79   79   79   79   80   80   80   80 
LCS_GDT     K    71_B     K    71_A     73   78   82     26   64   69   71   72   73   73   75   76   77   78   78   79   79   79   79   80   80   80   80 
LCS_GDT     S    72_B     S    72_A     73   78   82     10   62   69   71   72   73   73   75   76   77   78   78   79   79   79   79   80   80   80   80 
LCS_GDT     G    73_B     G    73_A     73   78   82     10   62   69   71   72   73   73   75   76   77   78   78   79   79   79   79   80   80   80   80 
LCS_GDT     K    74_B     K    74_A     73   78   82     10   64   69   71   72   73   73   75   76   77   78   78   79   79   79   79   80   80   80   80 
LCS_GDT     P    75_B     P    75_A     73   78   82     44   64   69   71   72   73   73   75   76   77   78   78   79   79   79   79   80   80   80   80 
LCS_GDT     L    76_B     L    76_A     73   78   82     45   64   69   71   72   73   73   75   76   77   78   78   79   79   79   79   80   80   80   80 
LCS_GDT     P    77_B     P    77_A     73   78   82     45   64   69   71   72   73   73   75   76   77   78   78   79   79   79   79   80   80   80   80 
LCS_GDT     D    78_B     D    78_A     73   78   82     32   64   69   71   72   73   73   75   76   77   78   78   79   79   79   79   80   80   80   80 
LCS_GDT     Y    79_B     Y    79_A     73   78   82     45   64   69   71   72   73   73   75   76   77   78   78   79   79   79   79   80   80   80   80 
LCS_GDT     L    80_B     L    80_A     73   78   82     45   64   69   71   72   73   73   75   76   77   78   78   79   79   79   79   80   80   80   80 
LCS_GDT     I    81_B     I    81_A     73   78   82     44   64   69   71   72   73   73   75   76   77   78   78   79   79   79   79   80   80   80   80 
LCS_GDT     K    82_B     K    82_A     73   78   82      7   54   68   71   72   73   73   75   76   77   78   78   79   79   79   79   80   80   80   80 
LCS_GDT     V    83_B     V    83_A     73   78   82     10   63   69   71   72   73   73   75   76   77   78   78   79   79   79   79   80   80   80   80 
LCS_GDT     T    84_B     T    84_A     73   78   82      4    9   27   60   71   73   73   75   76   77   78   78   79   79   79   79   80   80   80   80 
LCS_GDT     G    85_B     G    85_A     73   78   82      4    7   19   42   54   65   72   75   76   77   78   78   79   79   79   79   80   80   80   80 
LCS_GDT     N    86_B     N    86_A      8   78   82      4    7   19   39   51   65   72   75   76   77   78   78   79   79   79   79   80   80   80   80 
LCS_GDT     L    87_B     L    87_A      3   78   82      3    3    3    4    6   58   67   74   76   77   78   78   79   79   79   79   80   80   80   80 
LCS_GDT     E    88_B     E    88_A      3   78   82      3    3    3    5    8   14   36   50   62   69   78   78   79   79   79   79   80   80   80   80 
LCS_AVERAGE  LCS_A:  89.50  (  79.88   89.85   98.77 )

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     45     64     69     71     72     73     73     75     76     77     78     78     79     79     79     79     80     80     80     80 
GDT PERCENT_AT  54.22  77.11  83.13  85.54  86.75  87.95  87.95  90.36  91.57  92.77  93.98  93.98  95.18  95.18  95.18  95.18  96.39  96.39  96.39  96.39
GDT RMS_LOCAL    0.34   0.51   0.61   0.68   0.75   0.87   0.87   1.21   1.33   1.51   1.70   1.70   2.09   2.09   2.09   2.09   2.70   2.70   2.70   2.70
GDT RMS_ALL_AT   6.00   5.95   5.97   5.94   5.90   5.91   5.91   5.93   5.94   5.83   5.82   5.82   5.63   5.63   5.63   5.63   5.42   5.42   5.42   5.42

# Checking swapping
#   possible swapping detected:  E    17_B      E    17_A
#   possible swapping detected:  E    18_B      E    18_A
#   possible swapping detected:  E    19_B      E    19_A
#   possible swapping detected:  E    20_B      E    20_A
#   possible swapping detected:  E    28_B      E    28_A
#   possible swapping detected:  D    38_B      D    38_A
#   possible swapping detected:  E    48_B      E    48_A
#   possible swapping detected:  D    60_B      D    60_A
#   possible swapping detected:  Y    69_B      Y    69_A
#   possible swapping detected:  D    78_B      D    78_A
#   possible swapping detected:  Y    79_B      Y    79_A
#   possible swapping detected:  E    88_B      E    88_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    R     6_B      R     6_A    33.178     0    0.557   1.329    39.892    0.000    0.000
LGA    K     7_B      K     7_A    26.282     0    0.200   1.237    28.906    0.000    0.000
LGA    P     8_B      P     8_A    21.195     0    0.053   0.090    23.389    0.000    0.000
LGA    K     9_B      K     9_A    17.364     0    0.025   1.014    20.995    0.000    0.000
LGA    A    10_B      A    10_A    11.830     0    0.274   0.323    14.207    0.238    0.190
LGA    K    11_B      K    11_A     6.461     0    0.176   0.714     8.490   16.310   15.026
LGA    R    12_B      R    12_A     2.820     0    0.139   0.546     8.379   57.976   38.701
LGA    T    13_B      T    13_A     2.244     0    0.085   0.909     3.837   70.952   64.150
LGA    W    14_B      W    14_A     1.023     0    0.057   0.169     1.309   81.429   86.633
LGA    S    15_B      S    15_A     1.142     0    0.048   0.724     1.841   81.429   80.000
LGA    K    16_B      K    16_A     0.930     0    0.053   1.174     5.403   90.476   76.825
LGA    E    17_B      E    17_A     1.014     0    0.022   0.860     3.935   85.952   76.508
LGA    E    18_B      E    18_A     0.503     0    0.064   0.197     0.694   95.238   93.651
LGA    E    19_B      E    19_A     0.366     0    0.030   0.188     0.523  100.000   98.942
LGA    E    20_B      E    20_A     0.640     0    0.135   0.435     1.973   90.476   87.513
LGA    A    21_B      A    21_A     0.506     0    0.035   0.052     0.583   92.857   94.286
LGA    L    22_B      L    22_A     0.277     0    0.023   0.032     0.626  100.000   97.619
LGA    V    23_B      V    23_A     0.414     0    0.025   0.077     0.557   97.619   98.639
LGA    E    24_B      E    24_A     0.423     0    0.059   0.993     3.613   97.619   85.556
LGA    G    25_B      G    25_A     0.338     0    0.029   0.029     0.372  100.000  100.000
LGA    L    26_B      L    26_A     0.378     0    0.059   0.092     0.504   97.619   98.810
LGA    K    27_B      K    27_A     0.309     0    0.123   0.904     2.630   97.619   91.058
LGA    E    28_B      E    28_A     0.118     0    0.061   0.514     1.432  100.000   96.878
LGA    V    29_B      V    29_A     0.312     0    0.044   0.095     0.409  100.000  100.000
LGA    G    30_B      G    30_A     0.317     0    0.019   0.019     0.317  100.000  100.000
LGA    P    31_B      P    31_A     0.271     0    0.019   0.071     0.396  100.000  100.000
LGA    S    32_B      S    32_A     0.317     0    0.062   0.083     0.330  100.000  100.000
LGA    W    33_B      W    33_A     0.344     0    0.021   0.063     0.589  100.000   94.558
LGA    S    34_B      S    34_A     0.231     0    0.052   0.774     2.816  100.000   92.857
LGA    K    35_B      K    35_A     0.305     0    0.015   0.660     2.861  100.000   93.175
LGA    I    36_B      I    36_A     0.389     0    0.038   0.054     0.444  100.000  100.000
LGA    L    37_B      L    37_A     0.465     0    0.027   0.070     0.754  100.000   96.429
LGA    D    38_B      D    38_A     0.385     0    0.020   0.893     3.116  100.000   86.964
LGA    L    39_B      L    39_A     0.238     0    0.014   0.200     0.480  100.000  100.000
LGA    Y    40_B      Y    40_A     0.462     0    0.026   0.164     1.147  100.000   93.730
LGA    G    41_B      G    41_A     0.186     0    0.021   0.021     0.285  100.000  100.000
LGA    P    42_B      P    42_A     0.115     0    0.051   0.300     0.968  100.000   98.639
LGA    G    43_B      G    43_A     0.548     0    0.058   0.058     0.700   92.857   92.857
LGA    G    44_B      G    44_A     0.605     0    0.050   0.050     0.831   90.476   90.476
LGA    K    45_B      K    45_A     0.993     0    0.073   0.573     2.371   85.952   77.884
LGA    I    46_B      I    46_A     1.059     0    0.027   0.038     1.322   83.690   85.952
LGA    T    47_B      T    47_A     0.723     0    0.051   0.234     1.073   90.476   89.184
LGA    E    48_B      E    48_A     0.273     0    0.018   0.251     0.871  100.000   96.825
LGA    N    49_B      N    49_A     0.766     0    0.106   0.683     2.385   88.214   85.000
LGA    L    50_B      L    50_A     0.667     0    0.059   0.118     0.667   90.476   90.476
LGA    K    51_B      K    51_A     0.541     0    0.075   0.716     2.738   90.476   91.005
LGA    N    52_B      N    52_A     0.564     0    0.024   1.104     2.693   95.238   86.488
LGA    R    53_B      R    53_A     0.318     0    0.026   0.140     0.535   97.619   97.403
LGA    T    54_B      T    54_A     0.172     0    0.064   0.077     0.640   97.619   98.639
LGA    Q    55_B      Q    55_A     0.353     0    0.020   0.418     1.108  100.000   96.878
LGA    V    56_B      V    56_A     0.509     0    0.054   0.061     0.898   97.619   94.558
LGA    Q    57_B      Q    57_A     0.402     0    0.017   0.104     0.458  100.000  100.000
LGA    L    58_B      L    58_A     0.426     0    0.026   0.174     0.620   97.619   95.238
LGA    K    59_B      K    59_A     0.555     0    0.047   0.711     3.918   97.619   84.656
LGA    D    60_B      D    60_A     0.489     0    0.070   0.862     3.696  100.000   84.107
LGA    K    61_B      K    61_A     0.465     0    0.043   0.623     1.833   92.857   89.735
LGA    A    62_B      A    62_A     0.550     0    0.016   0.024     0.579   90.476   90.476
LGA    R    63_B      R    63_A     0.597     0    0.014   1.086     4.380   90.476   80.130
LGA    N    64_B      N    64_A     0.671     0    0.037   0.361     1.285   90.476   89.345
LGA    W    65_B      W    65_A     0.676     0    0.048   0.133     0.835   90.476   95.238
LGA    K    66_B      K    66_A     0.662     0    0.032   0.334     1.472   90.476   91.587
LGA    L    67_B      L    67_A     0.727     0    0.027   0.056     1.005   90.476   89.345
LGA    Q    68_B      Q    68_A     0.913     0    0.031   0.968     4.545   88.214   72.698
LGA    Y    69_B      Y    69_A     0.948     0    0.063   0.154     1.251   88.214   89.722
LGA    L    70_B      L    70_A     1.016     0    0.012   0.155     1.367   83.690   82.560
LGA    K    71_B      K    71_A     1.344     0    0.023   0.978     3.810   77.143   74.444
LGA    S    72_B      S    72_A     1.823     0    0.007   0.034     2.143   70.833   71.508
LGA    G    73_B      G    73_A     1.807     0    0.046   0.046     1.946   72.857   72.857
LGA    K    74_B      K    74_A     1.357     0    0.047   0.976     6.196   81.429   64.868
LGA    P    75_B      P    75_A     0.779     0    0.021   0.329     1.788   90.476   86.667
LGA    L    76_B      L    76_A     0.687     0    0.036   0.988     3.398   90.476   81.071
LGA    P    77_B      P    77_A     0.200     0    0.016   0.349     0.890   97.619   97.279
LGA    D    78_B      D    78_A     0.706     0    0.037   0.684     1.662   90.476   87.143
LGA    Y    79_B      Y    79_A     0.601     0    0.188   0.181     0.906   90.476   90.476
LGA    L    80_B      L    80_A     0.707     0    0.141   0.171     1.032   92.857   90.536
LGA    I    81_B      I    81_A     0.728     0    0.069   0.650     1.513   90.476   83.810
LGA    K    82_B      K    82_A     1.589     0    0.164   0.742     4.157   79.286   63.280
LGA    V    83_B      V    83_A     0.947     0    0.151   0.141     1.429   83.690   86.667
LGA    T    84_B      T    84_A     3.243     0    0.094   0.736     6.153   50.357   41.905
LGA    G    85_B      G    85_A     4.716     0    0.039   0.039     4.716   38.929   38.929
LGA    N    86_B      N    86_A     5.203     0    0.450   1.125     5.917   25.000   25.000
LGA    L    87_B      L    87_A     5.249     0    0.035   0.095     9.253   26.190   16.429
LGA    E    88_B      E    88_A     7.397     0    0.056   0.877    14.426   11.905    5.450

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       83     332    332  100.00     673    673  100.00                83
SUMMARY(RMSD_GDC):     5.035          4.927                  5.777           82.001   78.604

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  102   83    4.0     75    1.21    87.048    88.845     5.745

LGA_LOCAL      RMSD:   1.205  Number of atoms:   75  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   5.926  Number of assigned atoms:   83 
Std_ASGN_ATOMS RMSD:   5.035  Standard rmsd on all 83 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.390929 * X  +   0.570919 * Y  +   0.721959 * Z  +  13.891542
  Y_new =   0.117022 * X  +  -0.808844 * Y  +   0.576262 * Z  +   6.657003
  Z_new =   0.912951 * X  +  -0.140793 * Y  +  -0.383011 * Z  +  17.984062 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.290853 -1.150459 -2.789330   [DEG:   16.6646  -65.9164 -159.8168 ]
ZXZ:  2.244433  1.963850  1.723808   [DEG:  128.5966  112.5203   98.7669 ]
 
# END of job
