
#######################################################
#                                                     #
#                        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  101 (  798),  selected   87 , name one
# Molecule2: number of CA atoms   87 (  706),  selected   87 , 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      15_A - 92_A        4.60    14.13
  LCS_AVERAGE:     82.64

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    74      15_A - 88_A        1.44    14.62
  LCS_AVERAGE:     74.92

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    72      15_A - 86_A        1.00    14.66
  LCS_AVERAGE:     71.65

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   87
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     K    15_A     K    15_A     72   74   78      5   55   64   68   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    16_A     L    16_A     72   74   78     43   59   64   68   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    17_A     I    17_A     72   74   78     44   59   64   68   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    18_A     I    18_A     72   74   78     43   59   64   68   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     K    19_A     K    19_A     72   74   78     43   59   64   68   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     A    20_A     A    20_A     72   74   78     44   59   64   68   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     Q    21_A     Q    21_A     72   74   78     44   59   64   68   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    22_A     L    22_A     72   74   78     44   59   64   68   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     G    23_A     G    23_A     72   74   78     41   59   64   68   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     E    24_A     E    24_A     72   74   78     41   59   64   68   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     D    25_A     D    25_A     72   74   78     44   59   64   68   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    26_A     I    26_A     72   74   78     44   59   64   68   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     R    27_A     R    27_A     72   74   78     26   59   64   68   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     R    28_A     R    28_A     72   74   78     43   59   64   68   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    29_A     I    29_A     72   74   78     15   59   64   68   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     P    30_A     P    30_A     72   74   78     42   59   64   68   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    31_A     I    31_A     72   74   78     18   59   64   68   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     H    32_A     H    32_A     72   74   78      3    8   61   67   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     N    33_A     N    33_A     72   74   78      3    4    5   37   49   68   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     E    34_A     E    34_A     72   74   78      3    4    5   49   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     D    35_A     D    35_A     72   74   78      3   13   34   68   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    36_A     I    36_A     72   74   78     44   59   64   68   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     T    37_A     T    37_A     72   74   78     44   59   64   68   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     Y    38_A     Y    38_A     72   74   78     44   59   64   68   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     D    39_A     D    39_A     72   74   78     44   59   64   68   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     E    40_A     E    40_A     72   74   78     44   59   64   68   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    41_A     L    41_A     72   74   78     44   59   64   68   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     V    42_A     V    42_A     72   74   78     44   59   64   68   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    43_A     L    43_A     72   74   78     44   59   64   68   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     M    44_A     M    44_A     72   74   78     44   59   64   68   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     M    45_A     M    45_A     72   74   78     44   59   64   68   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     Q    46_A     Q    46_A     72   74   78     44   59   64   68   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     R    47_A     R    47_A     72   74   78     44   59   64   68   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     V    48_A     V    48_A     72   74   78     44   59   64   68   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     F    49_A     F    49_A     72   74   78     44   59   64   68   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     R    50_A     R    50_A     72   74   78     44   59   64   68   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     G    51_A     G    51_A     72   74   78     18   59   64   68   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     K    52_A     K    52_A     72   74   78     44   59   64   68   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    53_A     L    53_A     72   74   78      4   15   59   68   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    54_A     L    54_A     72   74   78      4   15   59   68   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     S    55_A     S    55_A     72   74   78      5   37   64   68   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     N    56_A     N    56_A     72   74   78     44   59   64   68   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     D    57_A     D    57_A     72   74   78     44   59   64   68   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     E    58_A     E    58_A     72   74   78     26   59   64   68   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     V    59_A     V    59_A     72   74   78     25   59   64   68   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     T    60_A     T    60_A     72   74   78     25   59   64   68   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    61_A     I    61_A     72   74   78     44   59   64   68   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     K    62_A     K    62_A     72   74   78     44   59   64   68   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     Y    63_A     Y    63_A     72   74   78     44   59   64   68   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     K    64_A     K    64_A     72   74   78     44   59   64   68   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     A    65_A     A    65_A     72   74   78     44   59   64   68   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     E    66_A     E    66_A     72   74   78      5   58   64   68   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     R    67_A     R    67_A     72   74   78      6   12   62   68   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     G    68_A     G    68_A     72   74   78      5   30   64   68   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     D    69_A     D    69_A     72   74   78      6   30   64   68   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    70_A     L    70_A     72   74   78     43   59   64   68   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    71_A     I    71_A     72   74   78     44   59   64   68   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     T    72_A     T    72_A     72   74   78     44   59   64   68   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    73_A     I    73_A     72   74   78     44   59   64   68   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     F    74_A     F    74_A     72   74   78     44   59   64   68   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     D    75_A     D    75_A     72   74   78     44   59   64   68   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     S    76_A     S    76_A     72   74   78     44   59   64   68   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     S    77_A     S    77_A     72   74   78     43   59   64   68   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     D    78_A     D    78_A     72   74   78     44   59   64   68   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    79_A     L    79_A     72   74   78     44   59   64   68   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     S    80_A     S    80_A     72   74   78     44   59   64   68   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     F    81_A     F    81_A     72   74   78     44   59   64   68   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     A    82_A     A    82_A     72   74   78     44   59   64   68   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    83_A     I    83_A     72   74   78     44   59   64   68   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     Q    84_A     Q    84_A     72   74   78     44   59   64   68   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     C    85_A     C    85_A     72   74   78     44   59   64   68   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     S    86_A     S    86_A     72   74   78     44   59   64   68   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     R    87_A     R    87_A     54   74   78      4   11   25   52   69   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    88_A     I    88_A     14   74   78      8   11   14   14   14   17   27   34   44   64   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    89_A     L    89_A     14   15   78      8   11   14   14   14   14   15   16   16   17   19   20   24   34   39   54   68   75   75   76 
LCS_GDT     K    90_A     K    90_A     14   15   78      8   11   14   14   14   14   15   16   16   17   19   20   24   30   37   42   52   60   71   76 
LCS_GDT     L    91_A     L    91_A     14   15   78      8   11   14   14   14   14   15   16   16   17   19   20   21   22   23   24   27   28   29   31 
LCS_GDT     T    92_A     T    92_A     14   15   78      8   11   14   14   14   14   15   16   16   17   19   20   21   22   23   24   27   28   29   31 
LCS_GDT     L    93_A     L    93_A     14   15   19      8   11   14   14   14   14   15   16   16   17   19   20   21   22   23   24   27   28   29   31 
LCS_GDT     F    94_A     F    94_A     14   15   19      8   11   14   14   14   14   15   16   16   17   19   20   21   22   23   24   27   28   29   31 
LCS_GDT     V    95_A     V    95_A     14   15   19      8   11   14   14   14   14   15   16   16   17   19   20   21   22   23   24   25   26   28   31 
LCS_GDT     N    96_A     N    96_A     14   15   19      8   11   14   14   14   14   15   16   16   16   19   20   21   22   22   24   25   26   27   31 
LCS_GDT     G    97_A     G    97_A     14   15   19      3   11   14   14   14   14   15   16   16   17   19   20   21   22   23   24   25   26   28   31 
LCS_GDT     Q    98_A     Q    98_A     14   15   19      3   11   14   14   14   14   15   16   16   17   19   20   21   22   23   24   27   28   29   31 
LCS_GDT     P    99_A     P    99_A     14   15   19      3   11   14   14   14   14   15   16   16   17   19   20   21   22   23   24   27   28   29   31 
LCS_GDT     R   100_A     R   100_A     14   15   19      3    6   14   14   14   14   15   16   16   17   19   20   21   22   23   24   26   28   29   31 
LCS_GDT     P   101_A     P   101_A      3   15   19      3    3    3    8    8   10   15   16   16   17   19   20   21   22   23   24   27   28   29   31 
LCS_AVERAGE  LCS_A:  76.40  (  71.65   74.92   82.64 )

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     44     59     64     68     71     72     72     73     73     73     73     74     74     74     74     74     74     75     75     76 
GDT PERCENT_AT  50.57  67.82  73.56  78.16  81.61  82.76  82.76  83.91  83.91  83.91  83.91  85.06  85.06  85.06  85.06  85.06  85.06  86.21  86.21  87.36
GDT RMS_LOCAL    0.30   0.46   0.60   0.73   0.86   0.94   0.94   1.07   1.07   1.07   1.07   1.44   1.44   1.44   1.44   1.44   1.44   2.05   2.05   2.65
GDT RMS_ALL_AT  14.61  14.62  14.65  14.66  14.67  14.66  14.66  14.65  14.65  14.65  14.65  14.62  14.62  14.62  14.62  14.62  14.62  14.55  14.55  14.46

# Checking swapping
#   possible swapping detected:  E    34_A      E    34_A
#   possible swapping detected:  D    35_A      D    35_A
#   possible swapping detected:  E    58_A      E    58_A
#   possible swapping detected:  E    66_A      E    66_A
#   possible swapping detected:  F    94_A      F    94_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    K    15_A      K    15_A     1.455     0    0.452   0.987     7.540   83.810   53.757
LGA    L    16_A      L    16_A     0.485     0    0.043   0.116     1.444   95.238   91.726
LGA    I    17_A      I    17_A     0.109     0    0.015   0.054     0.606  100.000   96.429
LGA    I    18_A      I    18_A     0.551     0    0.044   0.089     1.020   90.595   90.536
LGA    K    19_A      K    19_A     0.576     0    0.045   0.320     3.400   95.238   81.376
LGA    A    20_A      A    20_A     0.319     0    0.017   0.021     0.435  100.000  100.000
LGA    Q    21_A      Q    21_A     0.331     0    0.018   0.134     0.686  100.000   96.825
LGA    L    22_A      L    22_A     0.499     0    0.019   0.038     0.650   95.238   92.857
LGA    G    23_A      G    23_A     0.857     0    0.015   0.015     0.857   90.476   90.476
LGA    E    24_A      E    24_A     0.921     0    0.073   0.840     3.822   88.214   77.513
LGA    D    25_A      D    25_A     0.461     0    0.022   0.830     3.830   97.619   80.119
LGA    I    26_A      I    26_A     0.484     0    0.024   0.091     0.747   95.238   94.048
LGA    R    27_A      R    27_A     0.872     0    0.029   1.091     3.924   90.476   82.164
LGA    R    28_A      R    28_A     0.653     0    0.061   1.612     7.238   90.476   65.195
LGA    I    29_A      I    29_A     0.881     0    0.102   0.989     2.915   95.238   83.214
LGA    P    30_A      P    30_A     0.553     0    0.096   0.124     1.078   90.595   87.959
LGA    I    31_A      I    31_A     0.816     0    0.138   1.378     3.752   88.214   75.179
LGA    H    32_A      H    32_A     2.287     0    0.587   1.116     5.522   59.524   46.143
LGA    N    33_A      N    33_A     4.291     0    0.612   1.020     9.734   46.905   26.369
LGA    E    34_A      E    34_A     2.484     0    0.025   0.980     3.922   63.571   57.672
LGA    D    35_A      D    35_A     2.431     0    0.192   1.073     3.869   72.976   62.440
LGA    I    36_A      I    36_A     0.444     0    0.011   0.081     0.905   95.238   95.238
LGA    T    37_A      T    37_A     0.410     0    0.042   0.107     0.516  100.000   97.279
LGA    Y    38_A      Y    38_A     0.346     0    0.009   0.094     0.372  100.000  100.000
LGA    D    39_A      D    39_A     0.525     0    0.011   0.097     1.053   95.238   91.726
LGA    E    40_A      E    40_A     0.499     0    0.024   0.782     4.342   97.619   79.312
LGA    L    41_A      L    41_A     0.223     0    0.018   0.096     0.526  100.000   98.810
LGA    V    42_A      V    42_A     0.300     0    0.017   1.333     2.871  100.000   88.844
LGA    L    43_A      L    43_A     0.343     0    0.029   1.251     2.566  100.000   90.238
LGA    M    44_A      M    44_A     0.187     0    0.026   1.069     2.423  100.000   88.869
LGA    M    45_A      M    45_A     0.179     0    0.042   0.055     0.412  100.000  100.000
LGA    Q    46_A      Q    46_A     0.259     0    0.022   0.195     0.962  100.000   95.767
LGA    R    47_A      R    47_A     0.249     0    0.011   1.337     8.806  100.000   59.567
LGA    V    48_A      V    48_A     0.188     0    0.030   0.046     0.233  100.000  100.000
LGA    F    49_A      F    49_A     0.124     0    0.019   0.092     0.222  100.000  100.000
LGA    R    50_A      R    50_A     0.074     0    0.558   1.323     3.059   85.119   84.632
LGA    G    51_A      G    51_A     1.139     0    0.159   0.159     1.440   83.690   83.690
LGA    K    52_A      K    52_A     0.311     0    0.050   0.801     1.476   95.238   91.640
LGA    L    53_A      L    53_A     1.714     0    0.147   1.390     3.387   69.048   67.083
LGA    L    54_A      L    54_A     1.836     0    0.063   1.220     4.418   72.857   68.393
LGA    S    55_A      S    55_A     1.569     0    0.028   0.065     1.798   77.143   75.714
LGA    N    56_A      N    56_A     0.458     0    0.023   0.544     1.724   97.619   93.036
LGA    D    57_A      D    57_A     0.497     0    0.028   0.079     0.913   92.857   91.667
LGA    E    58_A      E    58_A     0.891     0    0.040   0.646     3.179   90.476   74.868
LGA    V    59_A      V    59_A     1.057     0    0.033   1.325     2.728   81.429   74.490
LGA    T    60_A      T    60_A     0.743     0    0.024   0.171     0.831   90.476   90.476
LGA    I    61_A      I    61_A     0.518     0    0.021   0.040     0.911   97.619   94.048
LGA    K    62_A      K    62_A     0.252     0    0.031   0.113     0.339  100.000  100.000
LGA    Y    63_A      Y    63_A     0.168     0    0.028   0.164     0.695  100.000   96.032
LGA    K    64_A      K    64_A     0.214     0    0.031   0.800     4.741  100.000   75.873
LGA    A    65_A      A    65_A     0.423     0    0.041   0.057     0.632   97.619   96.190
LGA    E    66_A      E    66_A     1.310     0    0.644   0.614     3.448   75.833   70.741
LGA    R    67_A      R    67_A     1.861     0    0.193   1.515    13.028   75.000   37.489
LGA    G    68_A      G    68_A     1.615     0    0.100   0.100     1.615   75.000   75.000
LGA    D    69_A      D    69_A     1.551     0    0.021   0.993     2.464   86.190   78.571
LGA    L    70_A      L    70_A     0.408     0    0.088   1.356     2.861   95.238   84.345
LGA    I    71_A      I    71_A     0.165     0    0.015   0.064     0.270  100.000  100.000
LGA    T    72_A      T    72_A     0.277     0    0.008   0.039     0.406  100.000  100.000
LGA    I    73_A      I    73_A     0.486     0    0.027   0.031     0.633   97.619   94.048
LGA    F    74_A      F    74_A     0.327     0    0.020   0.090     0.678  100.000   96.537
LGA    D    75_A      D    75_A     0.278     0    0.018   0.140     0.601  100.000   98.810
LGA    S    76_A      S    76_A     0.304     0    0.039   0.035     0.349  100.000  100.000
LGA    S    77_A      S    77_A     0.543     0    0.042   0.678     1.829   97.619   92.302
LGA    D    78_A      D    78_A     0.313     0    0.018   0.055     0.385  100.000  100.000
LGA    L    79_A      L    79_A     0.245     0    0.022   0.056     0.285  100.000  100.000
LGA    S    80_A      S    80_A     0.223     0    0.045   0.585     2.223  100.000   94.127
LGA    F    81_A      F    81_A     0.332     0    0.014   0.193     0.874  100.000   98.268
LGA    A    82_A      A    82_A     0.216     0    0.026   0.030     0.342  100.000  100.000
LGA    I    83_A      I    83_A     0.244     0    0.012   0.079     0.553  100.000   98.810
LGA    Q    84_A      Q    84_A     0.297     0    0.097   0.909     4.502   97.619   77.725
LGA    C    85_A      C    85_A     0.617     0    0.011   0.030     0.934   92.857   92.063
LGA    S    86_A      S    86_A     0.476     0    0.608   0.767     4.491   80.714   72.143
LGA    R    87_A      R    87_A     3.379     0    0.547   1.425    11.025   35.833   19.870
LGA    I    88_A      I    88_A     8.480     0    0.021   0.582    11.766    7.619    4.048
LGA    L    89_A      L    89_A    12.962     0    0.044   0.112    19.059    0.000    0.000
LGA    K    90_A      K    90_A    15.081     0    0.016   0.714    17.447    0.000    1.852
LGA    L    91_A      L    91_A    22.289     0    0.020   1.253    24.323    0.000    0.000
LGA    T    92_A      T    92_A    26.595     0    0.028   1.113    29.986    0.000    0.000
LGA    L    93_A      L    93_A    34.121     0    0.026   1.056    35.725    0.000    0.000
LGA    F    94_A      F    94_A    39.516     0    0.024   0.060    42.908    0.000    0.000
LGA    V    95_A      V    95_A    46.758     0    0.017   1.327    48.614    0.000    0.000
LGA    N    96_A      N    96_A    52.211     0    0.070   0.119    56.474    0.000    0.000
LGA    G    97_A      G    97_A    47.286     0    0.026   0.026    48.629    0.000    0.000
LGA    Q    98_A      Q    98_A    44.176     0    0.102   1.276    49.603    0.000    0.000
LGA    P    99_A      P    99_A    38.023     0    0.670   0.590    39.855    0.000    0.000
LGA    R   100_A      R   100_A    40.949     0    0.427   1.361    43.222    0.000    0.000
LGA    P   101_A      P   101_A    44.279     0    0.123   0.131    46.174    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       87     348    348  100.00     706    706  100.00                87
SUMMARY(RMSD_GDC):    12.551         12.571                 12.657           76.622   70.830

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  101   87    4.0     73    1.07    78.736    79.126     6.254

LGA_LOCAL      RMSD:   1.067  Number of atoms:   73  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  14.647  Number of assigned atoms:   87 
Std_ASGN_ATOMS RMSD:  12.551  Standard rmsd on all 87 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.004659 * X  +  -0.938573 * Y  +   0.345048 * Z  + -15.272759
  Y_new =  -0.975794 * X  +   0.079710 * Y  +   0.203645 * Z  +  14.374522
  Z_new =  -0.218640 * X  +  -0.335747 * Y  +  -0.916226 * Z  +   1.829296 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.575571  0.220420 -2.790343   [DEG:  -90.2736   12.6292 -159.8748 ]
ZXZ:  2.103974  2.729354 -2.564372   [DEG:  120.5488  156.3805 -146.9277 ]
 
# END of job
