
#######################################################
#                                                     #
#                        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:    80      15_A - 94_A        4.80     9.01
  LCS_AVERAGE:     86.31

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    75      15_A - 89_A        1.98    10.08
  LCS_AVERAGE:     76.64

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    31      58_A - 88_A        0.98    10.30
  LCS_AVERAGE:     23.99

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     19   75   80     12   43   57   64   67   69   70   71   72   73   74   74   76   76   76   76   76   76   77   77 
LCS_GDT     L    16_A     L    16_A     19   75   80     18   49   57   64   67   69   70   71   72   73   74   74   76   76   76   76   76   76   77   77 
LCS_GDT     I    17_A     I    17_A     19   75   80     21   49   57   64   67   69   70   71   72   73   74   74   76   76   76   76   76   76   77   77 
LCS_GDT     I    18_A     I    18_A     19   75   80     21   49   57   64   67   69   70   71   72   73   74   74   76   76   76   76   76   76   77   77 
LCS_GDT     K    19_A     K    19_A     19   75   80     26   49   57   64   67   69   70   71   72   73   74   74   76   76   76   76   76   76   77   77 
LCS_GDT     A    20_A     A    20_A     19   75   80     26   49   57   64   67   69   70   71   72   73   74   74   76   76   76   76   76   76   77   77 
LCS_GDT     Q    21_A     Q    21_A     19   75   80     26   49   57   64   67   69   70   71   72   73   74   74   76   76   76   76   76   76   77   77 
LCS_GDT     L    22_A     L    22_A     19   75   80     26   49   57   64   67   69   70   71   72   73   74   74   76   76   76   76   76   76   77   77 
LCS_GDT     G    23_A     G    23_A     19   75   80     26   49   57   64   67   69   70   71   72   73   74   74   76   76   76   76   76   76   77   77 
LCS_GDT     E    24_A     E    24_A     19   75   80     21   48   57   64   67   69   70   71   72   73   74   74   76   76   76   76   76   76   77   77 
LCS_GDT     D    25_A     D    25_A     19   75   80     26   49   57   64   67   69   70   71   72   73   74   74   76   76   76   76   76   76   77   77 
LCS_GDT     I    26_A     I    26_A     19   75   80     26   49   57   64   67   69   70   71   72   73   74   74   76   76   76   76   76   76   77   77 
LCS_GDT     R    27_A     R    27_A     19   75   80     26   49   57   64   67   69   70   71   72   73   74   74   76   76   76   76   76   76   77   77 
LCS_GDT     R    28_A     R    28_A     19   75   80     26   49   57   64   67   69   70   71   72   73   74   74   76   76   76   76   76   76   77   77 
LCS_GDT     I    29_A     I    29_A     19   75   80     26   49   57   64   67   69   70   71   72   73   74   74   76   76   76   76   76   76   77   77 
LCS_GDT     P    30_A     P    30_A     19   75   80     26   49   57   64   67   69   70   71   72   73   74   74   76   76   76   76   76   76   77   77 
LCS_GDT     I    31_A     I    31_A     19   75   80     26   49   57   64   67   69   70   71   72   73   74   74   76   76   76   76   76   76   77   77 
LCS_GDT     H    32_A     H    32_A     19   75   80     26   49   57   64   67   69   70   71   72   73   74   74   76   76   76   76   76   76   77   77 
LCS_GDT     N    33_A     N    33_A     19   75   80      3    5   10   15   54   65   69   71   72   73   74   74   76   76   76   76   76   76   77   77 
LCS_GDT     E    34_A     E    34_A     16   75   80      3   17   57   64   67   69   70   71   72   73   74   74   76   76   76   76   76   76   77   77 
LCS_GDT     D    35_A     D    35_A     18   75   80      3   16   26   53   67   69   70   71   72   73   74   74   76   76   76   76   76   76   77   77 
LCS_GDT     I    36_A     I    36_A     18   75   80      5   28   57   64   67   69   70   71   72   73   74   74   76   76   76   76   76   76   77   77 
LCS_GDT     T    37_A     T    37_A     18   75   80     14   49   57   64   67   69   70   71   72   73   74   74   76   76   76   76   76   76   77   77 
LCS_GDT     Y    38_A     Y    38_A     18   75   80     10   47   57   64   67   69   70   71   72   73   74   74   76   76   76   76   76   76   77   77 
LCS_GDT     D    39_A     D    39_A     18   75   80     14   49   57   64   67   69   70   71   72   73   74   74   76   76   76   76   76   76   77   77 
LCS_GDT     E    40_A     E    40_A     18   75   80     14   49   57   64   67   69   70   71   72   73   74   74   76   76   76   76   76   76   77   77 
LCS_GDT     L    41_A     L    41_A     18   75   80     14   49   57   64   67   69   70   71   72   73   74   74   76   76   76   76   76   76   77   77 
LCS_GDT     V    42_A     V    42_A     18   75   80     19   49   57   64   67   69   70   71   72   73   74   74   76   76   76   76   76   76   77   77 
LCS_GDT     L    43_A     L    43_A     18   75   80     26   49   57   64   67   69   70   71   72   73   74   74   76   76   76   76   76   76   77   77 
LCS_GDT     M    44_A     M    44_A     18   75   80     13   49   57   64   67   69   70   71   72   73   74   74   76   76   76   76   76   76   77   77 
LCS_GDT     M    45_A     M    45_A     18   75   80     26   49   57   64   67   69   70   71   72   73   74   74   76   76   76   76   76   76   77   77 
LCS_GDT     Q    46_A     Q    46_A     18   75   80     14   37   57   64   67   69   70   71   72   73   74   74   76   76   76   76   76   76   77   77 
LCS_GDT     R    47_A     R    47_A     18   75   80     10   32   57   64   67   69   70   71   72   73   74   74   76   76   76   76   76   76   77   77 
LCS_GDT     V    48_A     V    48_A     18   75   80     10   29   57   64   67   69   70   71   72   73   74   74   76   76   76   76   76   76   77   77 
LCS_GDT     F    49_A     F    49_A     18   75   80     10   39   57   64   67   69   70   71   72   73   74   74   76   76   76   76   76   76   77   77 
LCS_GDT     R    50_A     R    50_A     18   75   80      3   14   32   51   66   69   70   71   72   73   74   74   76   76   76   76   76   76   77   77 
LCS_GDT     G    51_A     G    51_A     18   75   80      3   19   43   62   66   69   70   71   72   73   74   74   76   76   76   76   76   76   77   77 
LCS_GDT     K    52_A     K    52_A     18   75   80      3   37   57   64   67   69   70   71   72   73   74   74   76   76   76   76   76   76   77   77 
LCS_GDT     L    53_A     L    53_A      8   75   80      3   19   45   58   65   68   70   71   72   73   74   74   76   76   76   76   76   76   77   77 
LCS_GDT     L    54_A     L    54_A      8   75   80      3    7   10   17   33   63   69   71   72   73   74   74   76   76   76   76   76   76   77   77 
LCS_GDT     S    55_A     S    55_A      8   75   80      3    7    9   12   18   21   21   34   64   68   69   74   76   76   76   76   76   76   77   77 
LCS_GDT     N    56_A     N    56_A      3   75   80      3    3    3    4    6    7   16   35   65   72   74   74   76   76   76   76   76   76   77   77 
LCS_GDT     D    57_A     D    57_A     29   75   80      3    7   50   61   67   69   70   71   72   73   74   74   76   76   76   76   76   76   77   77 
LCS_GDT     E    58_A     E    58_A     31   75   80     14   49   57   64   67   69   70   71   72   73   74   74   76   76   76   76   76   76   77   77 
LCS_GDT     V    59_A     V    59_A     31   75   80     26   49   57   64   67   69   70   71   72   73   74   74   76   76   76   76   76   76   77   77 
LCS_GDT     T    60_A     T    60_A     31   75   80     26   49   57   64   67   69   70   71   72   73   74   74   76   76   76   76   76   76   77   77 
LCS_GDT     I    61_A     I    61_A     31   75   80     21   49   57   64   67   69   70   71   72   73   74   74   76   76   76   76   76   76   77   77 
LCS_GDT     K    62_A     K    62_A     31   75   80     26   49   57   64   67   69   70   71   72   73   74   74   76   76   76   76   76   76   77   77 
LCS_GDT     Y    63_A     Y    63_A     31   75   80     26   49   57   64   67   69   70   71   72   73   74   74   76   76   76   76   76   76   77   77 
LCS_GDT     K    64_A     K    64_A     31   75   80     19   49   57   64   67   69   70   71   72   73   74   74   76   76   76   76   76   76   77   77 
LCS_GDT     A    65_A     A    65_A     31   75   80     18   49   57   64   67   69   70   71   72   73   74   74   76   76   76   76   76   76   77   77 
LCS_GDT     E    66_A     E    66_A     31   75   80     15   49   57   64   67   69   70   71   72   73   74   74   76   76   76   76   76   76   77   77 
LCS_GDT     R    67_A     R    67_A     31   75   80      3   15   33   57   67   69   70   71   72   73   74   74   76   76   76   76   76   76   77   77 
LCS_GDT     G    68_A     G    68_A     31   75   80      4   33   56   64   67   69   70   71   72   73   74   74   76   76   76   76   76   76   77   77 
LCS_GDT     D    69_A     D    69_A     31   75   80     13   49   57   64   67   69   70   71   72   73   74   74   76   76   76   76   76   76   77   77 
LCS_GDT     L    70_A     L    70_A     31   75   80     26   49   57   64   67   69   70   71   72   73   74   74   76   76   76   76   76   76   77   77 
LCS_GDT     I    71_A     I    71_A     31   75   80     26   49   57   64   67   69   70   71   72   73   74   74   76   76   76   76   76   76   77   77 
LCS_GDT     T    72_A     T    72_A     31   75   80     26   49   57   64   67   69   70   71   72   73   74   74   76   76   76   76   76   76   77   77 
LCS_GDT     I    73_A     I    73_A     31   75   80     21   49   57   64   67   69   70   71   72   73   74   74   76   76   76   76   76   76   77   77 
LCS_GDT     F    74_A     F    74_A     31   75   80     13   49   57   64   67   69   70   71   72   73   74   74   76   76   76   76   76   76   77   77 
LCS_GDT     D    75_A     D    75_A     31   75   80     26   49   57   64   67   69   70   71   72   73   74   74   76   76   76   76   76   76   77   77 
LCS_GDT     S    76_A     S    76_A     31   75   80     25   49   57   64   67   69   70   71   72   73   74   74   76   76   76   76   76   76   77   77 
LCS_GDT     S    77_A     S    77_A     31   75   80     25   49   57   64   67   69   70   71   72   73   74   74   76   76   76   76   76   76   77   77 
LCS_GDT     D    78_A     D    78_A     31   75   80     26   49   57   64   67   69   70   71   72   73   74   74   76   76   76   76   76   76   77   77 
LCS_GDT     L    79_A     L    79_A     31   75   80     26   49   57   64   67   69   70   71   72   73   74   74   76   76   76   76   76   76   77   77 
LCS_GDT     S    80_A     S    80_A     31   75   80     25   49   57   64   67   69   70   71   72   73   74   74   76   76   76   76   76   76   77   77 
LCS_GDT     F    81_A     F    81_A     31   75   80     26   49   57   64   67   69   70   71   72   73   74   74   76   76   76   76   76   76   77   77 
LCS_GDT     A    82_A     A    82_A     31   75   80     23   49   57   64   67   69   70   71   72   73   74   74   76   76   76   76   76   76   77   77 
LCS_GDT     I    83_A     I    83_A     31   75   80     13   49   57   64   67   69   70   71   72   73   74   74   76   76   76   76   76   76   77   77 
LCS_GDT     Q    84_A     Q    84_A     31   75   80     13   49   57   64   67   69   70   71   72   73   74   74   76   76   76   76   76   76   77   77 
LCS_GDT     C    85_A     C    85_A     31   75   80     19   49   57   64   67   69   70   71   72   73   74   74   76   76   76   76   76   76   77   77 
LCS_GDT     S    86_A     S    86_A     31   75   80     13   49   57   64   67   69   70   71   72   73   74   74   76   76   76   76   76   76   77   77 
LCS_GDT     R    87_A     R    87_A     31   75   80      5   37   57   64   67   69   70   71   72   73   74   74   76   76   76   76   76   76   77   77 
LCS_GDT     I    88_A     I    88_A     31   75   80      3    4   51   64   67   69   70   71   72   73   74   74   76   76   76   76   76   76   77   77 
LCS_GDT     L    89_A     L    89_A      4   75   80      3    4    8   10   11   13   60   70   72   73   74   74   76   76   76   76   76   76   77   77 
LCS_GDT     K    90_A     K    90_A      6   34   80      3    4    8   10   11   29   41   55   68   73   73   73   76   76   76   76   76   76   77   77 
LCS_GDT     L    91_A     L    91_A      9   13   80      5    9    9   10   11   13   13   14   14   14   16   25   32   47   67   73   75   75   77   77 
LCS_GDT     T    92_A     T    92_A      9   13   80      5    9    9   10   11   13   13   14   14   14   18   23   28   34   39   57   69   75   76   76 
LCS_GDT     L    93_A     L    93_A      9   13   80      6    9    9   10   11   13   13   14   14   14   16   18   22   27   28   31   34   36   40   51 
LCS_GDT     F    94_A     F    94_A      9   13   80      6    9    9   10   11   13   13   14   14   14   16   18   20   22   28   29   33   35   38   39 
LCS_GDT     V    95_A     V    95_A      9   13   19      6    9    9   10   11   13   13   14   14   14   16   17   18   21   23   24   27   28   30   32 
LCS_GDT     N    96_A     N    96_A      9   13   19      6    9    9   10   11   13   13   14   14   14   16   17   18   19   22   22   24   27   29   30 
LCS_GDT     G    97_A     G    97_A      9   13   19      6    9    9   10   11   13   13   14   14   14   16   17   18   21   23   24   27   28   31   39 
LCS_GDT     Q    98_A     Q    98_A      9   13   19      6    9    9   10   11   13   13   14   14   14   16   18   22   27   28   29   34   36   38   46 
LCS_GDT     P    99_A     P    99_A      9   13   19      4    9    9   10   11   13   13   14   14   14   16   21   25   29   30   33   37   46   58   68 
LCS_GDT     R   100_A     R   100_A      4   13   19      3    3    6    7   10   13   13   14   14   14   16   16   18   19   20   21   24   26   33   36 
LCS_GDT     P   101_A     P   101_A      3   12   19      3    3    3    3    7   10   11   14   14   14   16   16   18   19   20   21   24   29   33   36 
LCS_AVERAGE  LCS_A:  62.32  (  23.99   76.64   86.31 )

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     26     49     57     64     67     69     70     71     72     73     74     74     76     76     76     76     76     76     77     77 
GDT PERCENT_AT  29.89  56.32  65.52  73.56  77.01  79.31  80.46  81.61  82.76  83.91  85.06  85.06  87.36  87.36  87.36  87.36  87.36  87.36  88.51  88.51
GDT RMS_LOCAL    0.34   0.63   0.75   0.97   1.15   1.25   1.32   1.44   1.53   1.62   1.79   1.79   2.16   2.16   2.16   2.16   2.16   2.16   2.65   2.65
GDT RMS_ALL_AT  10.00  10.10  10.03   9.98  10.07   9.98  10.00  10.00  10.06  10.06  10.10  10.10   9.97   9.97   9.97   9.97   9.97   9.97   9.81   9.81

# Checking swapping
#   possible swapping detected:  E    34_A      E    34_A
#   possible swapping detected:  D    35_A      D    35_A
#   possible swapping detected:  D    57_A      D    57_A
#   possible swapping detected:  E    58_A      E    58_A
#   possible swapping detected:  Y    63_A      Y    63_A
#   possible swapping detected:  F    74_A      F    74_A
#   possible swapping detected:  D    78_A      D    78_A
#   possible swapping detected:  F    81_A      F    81_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     1.187     0    0.490   0.914     7.163   78.095   55.979
LGA    L    16_A      L    16_A     0.983     0    0.021   0.143     2.246   88.214   80.595
LGA    I    17_A      I    17_A     0.712     0    0.068   0.059     0.988   90.476   92.857
LGA    I    18_A      I    18_A     0.723     0    0.046   0.627     2.802   90.476   87.500
LGA    K    19_A      K    19_A     0.622     0    0.019   0.752     3.617   90.476   77.778
LGA    A    20_A      A    20_A     0.489     0    0.078   0.097     0.658   95.238   96.190
LGA    Q    21_A      Q    21_A     0.763     0    0.003   0.082     1.099   90.476   87.460
LGA    L    22_A      L    22_A     0.780     0    0.016   0.936     4.014   90.476   79.405
LGA    G    23_A      G    23_A     1.266     0    0.024   0.024     1.273   81.429   81.429
LGA    E    24_A      E    24_A     1.439     0    0.067   0.898     3.752   77.143   73.439
LGA    D    25_A      D    25_A     1.044     0    0.017   0.278     2.145   85.952   78.452
LGA    I    26_A      I    26_A     0.824     0    0.036   1.241     2.911   90.476   77.976
LGA    R    27_A      R    27_A     0.511     0    0.024   0.975     2.783   95.238   80.519
LGA    R    28_A      R    28_A     0.214     0    0.037   1.322     6.562  100.000   70.173
LGA    I    29_A      I    29_A     0.379     0    0.028   0.791     2.921  100.000   89.940
LGA    P    30_A      P    30_A     0.525     0    0.070   0.159     0.662   92.857   91.837
LGA    I    31_A      I    31_A     0.467     0    0.034   0.581     2.152   97.619   93.214
LGA    H    32_A      H    32_A     0.804     0    0.589   1.024     7.391   81.667   52.381
LGA    N    33_A      N    33_A     4.810     0    0.054   0.846    10.967   37.381   20.179
LGA    E    34_A      E    34_A     1.755     0    0.585   1.057     5.260   65.119   52.804
LGA    D    35_A      D    35_A     2.778     0    0.058   1.126     4.584   57.619   48.988
LGA    I    36_A      I    36_A     1.588     0    0.089   1.074     3.622   72.857   64.345
LGA    T    37_A      T    37_A     1.200     0    0.024   0.099     1.411   81.429   82.721
LGA    Y    38_A      Y    38_A     1.380     0    0.009   0.295     2.359   81.429   72.341
LGA    D    39_A      D    39_A     1.218     0    0.047   0.173     1.985   81.429   78.214
LGA    E    40_A      E    40_A     1.054     0    0.022   0.177     1.715   83.690   81.481
LGA    L    41_A      L    41_A     1.102     0    0.022   0.078     1.885   85.952   82.619
LGA    V    42_A      V    42_A     0.957     0    0.022   0.051     1.480   88.214   85.306
LGA    L    43_A      L    43_A     0.416     0    0.033   0.090     1.353   97.619   94.107
LGA    M    44_A      M    44_A     0.543     0    0.045   0.834     2.472   95.238   87.619
LGA    M    45_A      M    45_A     0.130     0    0.039   0.109     1.470   95.238   89.464
LGA    Q    46_A      Q    46_A     1.247     0    0.102   0.165     2.383   81.548   77.725
LGA    R    47_A      R    47_A     1.849     0    0.063   1.147     3.867   72.976   67.273
LGA    V    48_A      V    48_A     1.777     0    0.069   1.256     3.250   70.833   66.190
LGA    F    49_A      F    49_A     1.278     0    0.212   0.170     1.608   79.286   83.939
LGA    R    50_A      R    50_A     3.210     0    0.531   1.594     9.169   63.333   30.000
LGA    G    51_A      G    51_A     2.976     0    0.114   0.114     3.627   61.548   61.548
LGA    K    52_A      K    52_A     1.740     0    0.281   0.852     4.894   71.071   55.185
LGA    L    53_A      L    53_A     3.265     0    0.090   1.427     5.863   52.024   49.464
LGA    L    54_A      L    54_A     4.979     0    0.648   0.624     5.988   32.976   29.048
LGA    S    55_A      S    55_A     7.825     0    0.260   0.246    11.943   10.952    7.302
LGA    N    56_A      N    56_A     6.732     0    0.206   0.318     8.509   18.452   13.393
LGA    D    57_A      D    57_A     3.281     0    0.625   1.095     6.597   59.167   43.214
LGA    E    58_A      E    58_A     1.052     0    0.107   0.534     2.847   83.810   76.984
LGA    V    59_A      V    59_A     0.155     0    0.070   1.002     2.439  100.000   89.728
LGA    T    60_A      T    60_A     0.390     0    0.056   0.158     0.774   95.238   97.279
LGA    I    61_A      I    61_A     0.908     0    0.059   0.091     1.495   90.476   85.952
LGA    K    62_A      K    62_A     0.807     0    0.032   0.155     0.883   90.476   90.476
LGA    Y    63_A      Y    63_A     0.839     0    0.032   0.077     0.902   90.476   90.476
LGA    K    64_A      K    64_A     0.511     0    0.029   0.791     5.527   95.238   69.841
LGA    A    65_A      A    65_A     0.286     0    0.020   0.021     0.633   97.619   96.190
LGA    E    66_A      E    66_A     0.625     0    0.668   0.764     2.376   86.429   80.899
LGA    R    67_A      R    67_A     3.226     0    0.311   1.223    14.332   61.190   27.835
LGA    G    68_A      G    68_A     1.723     0    0.118   0.118     2.042   75.119   75.119
LGA    D    69_A      D    69_A     0.590     0    0.033   1.048     3.367   95.238   83.393
LGA    L    70_A      L    70_A     0.593     0    0.147   0.207     1.553   90.595   88.333
LGA    I    71_A      I    71_A     0.695     0    0.029   0.110     1.303   90.476   88.214
LGA    T    72_A      T    72_A     0.630     0    0.024   0.053     0.828   90.476   94.558
LGA    I    73_A      I    73_A     0.731     0    0.019   0.121     0.935   90.476   92.857
LGA    F    74_A      F    74_A     1.056     0    0.140   1.154     4.820   92.976   74.199
LGA    D    75_A      D    75_A     0.363     0    0.057   0.801     1.896   97.619   88.512
LGA    S    76_A      S    76_A     0.453     0    0.051   0.077     0.959   95.238   93.651
LGA    S    77_A      S    77_A     1.037     0    0.066   0.678     2.154   88.214   81.746
LGA    D    78_A      D    78_A     0.697     0    0.020   0.675     2.105   90.476   86.131
LGA    L    79_A      L    79_A     0.206     0    0.029   0.224     1.349  100.000   96.488
LGA    S    80_A      S    80_A     0.767     0    0.029   0.565     2.684   90.476   84.921
LGA    F    81_A      F    81_A     0.879     0    0.025   0.094     2.067   90.476   80.087
LGA    A    82_A      A    82_A     0.468     0    0.046   0.043     0.641  100.000   98.095
LGA    I    83_A      I    83_A     0.671     0    0.049   0.132     1.451   92.857   88.274
LGA    Q    84_A      Q    84_A     0.893     0    0.029   1.016     6.304   92.857   63.862
LGA    C    85_A      C    85_A     0.799     0    0.181   0.210     1.509   86.071   84.524
LGA    S    86_A      S    86_A     0.831     0    0.037   0.075     1.956   83.810   84.524
LGA    R    87_A      R    87_A     1.698     0    0.550   1.337     7.511   72.976   53.333
LGA    I    88_A      I    88_A     2.317     0    0.623   0.775     4.035   64.762   56.667
LGA    L    89_A      L    89_A     4.671     0    0.501   1.388    10.670   26.548   14.762
LGA    K    90_A      K    90_A     7.808     0    0.113   0.532    10.452    7.143    9.524
LGA    L    91_A      L    91_A    14.018     0    0.115   0.123    15.940    0.000    0.000
LGA    T    92_A      T    92_A    17.277     0    0.124   0.239    19.471    0.000    0.000
LGA    L    93_A      L    93_A    23.285     0    0.107   1.090    25.001    0.000    0.000
LGA    F    94_A      F    94_A    26.213     0    0.174   0.284    29.529    0.000    0.000
LGA    V    95_A      V    95_A    32.691     0    0.042   1.073    35.371    0.000    0.000
LGA    N    96_A      N    96_A    34.705     0    0.083   0.146    40.023    0.000    0.000
LGA    G    97_A      G    97_A    28.697     0    0.030   0.030    30.771    0.000    0.000
LGA    Q    98_A      Q    98_A    27.381     0    0.117   1.066    29.891    0.000    0.000
LGA    P    99_A      P    99_A    24.811     0    0.646   0.558    27.681    0.000    0.000
LGA    R   100_A      R   100_A    31.558     0    0.406   1.488    32.577    0.000    0.000
LGA    P   101_A      P   101_A    34.046     0    0.692   0.585    36.332    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):     8.124          8.110                  8.449           70.224   63.667

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  101   87    4.0     71    1.44    74.713    77.221     4.607

LGA_LOCAL      RMSD:   1.441  Number of atoms:   71  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  10.001  Number of assigned atoms:   87 
Std_ASGN_ATOMS RMSD:   8.124  Standard rmsd on all 87 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.846854 * X  +   0.520342 * Y  +   0.109919 * Z  + -59.326042
  Y_new =   0.185400 * X  +  -0.482565 * Y  +   0.856013 * Z  +  46.554070
  Z_new =   0.498462 * X  +  -0.704539 * Y  +  -0.505134 * Z  +  54.487370 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.215528 -0.521824 -2.192822   [DEG:   12.3488  -29.8983 -125.6394 ]
ZXZ:  3.013883  2.100333  2.525850   [DEG:  172.6828  120.3402  144.7205 ]
 
# END of job
