
#######################################################
#                                                     #
#                        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        4.61    15.67
  LCS_AVERAGE:     82.28

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    74      15_A - 88_A        1.83    16.13
  LCS_AVERAGE:     73.96

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    35      16_A - 50_A        1.00    16.23
  LCS_AVERAGE:     28.34

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     32   74   78      3   20   51   64   68   71   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     L    16_A     L    16_A     35   74   78      3   45   56   64   68   71   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     I    17_A     I    17_A     35   74   78     21   45   56   64   68   71   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     I    18_A     I    18_A     35   74   78     21   45   56   64   68   71   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     K    19_A     K    19_A     35   74   78     21   45   56   64   68   71   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     A    20_A     A    20_A     35   74   78     22   45   56   64   68   71   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     Q    21_A     Q    21_A     35   74   78     22   45   56   64   68   71   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     L    22_A     L    22_A     35   74   78     22   45   56   64   68   71   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     G    23_A     G    23_A     35   74   78     22   45   56   64   68   71   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     E    24_A     E    24_A     35   74   78     19   45   56   64   68   71   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     D    25_A     D    25_A     35   74   78     22   45   56   64   68   71   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     I    26_A     I    26_A     35   74   78     22   45   56   64   68   71   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     R    27_A     R    27_A     35   74   78     22   45   56   64   68   71   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     R    28_A     R    28_A     35   74   78     17   45   56   64   68   71   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     I    29_A     I    29_A     35   74   78     21   45   56   64   68   71   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     P    30_A     P    30_A     35   74   78     14   45   56   64   68   71   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     I    31_A     I    31_A     35   74   78     14   45   56   64   68   71   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     H    32_A     H    32_A     35   74   78     19   45   56   64   68   71   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     N    33_A     N    33_A     35   74   78      4   24   52   62   68   71   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     E    34_A     E    34_A     35   74   78      3    6   51   64   68   71   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     D    35_A     D    35_A     35   74   78     10   22   55   64   68   71   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     I    36_A     I    36_A     35   74   78     10   34   56   64   68   71   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     T    37_A     T    37_A     35   74   78     15   45   56   64   68   71   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     Y    38_A     Y    38_A     35   74   78     15   45   56   64   68   71   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     D    39_A     D    39_A     35   74   78     22   45   56   64   68   71   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     E    40_A     E    40_A     35   74   78     22   45   56   64   68   71   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     L    41_A     L    41_A     35   74   78     22   45   56   64   68   71   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     V    42_A     V    42_A     35   74   78     10   45   56   64   68   71   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     L    43_A     L    43_A     35   74   78     13   45   56   64   68   71   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     M    44_A     M    44_A     35   74   78     16   45   56   64   68   71   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     M    45_A     M    45_A     35   74   78     22   45   56   64   68   71   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     Q    46_A     Q    46_A     35   74   78     10   36   56   64   68   71   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     R    47_A     R    47_A     35   74   78     10   24   56   64   68   71   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     V    48_A     V    48_A     35   74   78      8   45   56   64   68   71   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     F    49_A     F    49_A     35   74   78     22   45   56   64   68   71   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     R    50_A     R    50_A     35   74   78     11   40   56   64   68   71   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     G    51_A     G    51_A      3   74   78      3    3    4    9   55   68   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     K    52_A     K    52_A      9   74   78      4   15   48   63   68   71   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     L    53_A     L    53_A      9   74   78      4   28   55   64   68   71   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     L    54_A     L    54_A      9   74   78      4   10   23   54   68   71   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     S    55_A     S    55_A      9   74   78      4    9   13   27   54   71   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     N    56_A     N    56_A      9   74   78      4   10   30   57   68   71   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     D    57_A     D    57_A      9   74   78      5   29   55   64   68   71   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     E    58_A     E    58_A     23   74   78     12   45   56   64   68   71   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     V    59_A     V    59_A     25   74   78      7   39   56   64   68   71   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     T    60_A     T    60_A     25   74   78     14   45   56   64   68   71   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     I    61_A     I    61_A     25   74   78     21   45   56   64   68   71   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     K    62_A     K    62_A     25   74   78     22   45   56   64   68   71   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     Y    63_A     Y    63_A     25   74   78     22   45   56   64   68   71   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     K    64_A     K    64_A     25   74   78     14   45   56   64   68   71   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     A    65_A     A    65_A     25   74   78     10   42   56   64   68   71   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     E    66_A     E    66_A     25   74   78     10   34   56   64   68   71   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     R    67_A     R    67_A     25   74   78      5    8   13   61   67   71   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     G    68_A     G    68_A     25   74   78      5   21   55   64   68   71   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     D    69_A     D    69_A     25   74   78     10   42   56   64   68   71   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     L    70_A     L    70_A     25   74   78     22   45   56   64   68   71   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     I    71_A     I    71_A     25   74   78     19   45   56   64   68   71   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     T    72_A     T    72_A     25   74   78      9   45   56   64   68   71   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     I    73_A     I    73_A     25   74   78     16   45   56   64   68   71   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     F    74_A     F    74_A     25   74   78     22   45   56   64   68   71   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     D    75_A     D    75_A     25   74   78     22   45   56   64   68   71   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     S    76_A     S    76_A     25   74   78     22   45   56   64   68   71   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     S    77_A     S    77_A     25   74   78     13   45   56   64   68   71   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     D    78_A     D    78_A     25   74   78     22   45   56   64   68   71   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     L    79_A     L    79_A     25   74   78     22   45   56   64   68   71   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     S    80_A     S    80_A     25   74   78     22   45   56   64   68   71   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     F    81_A     F    81_A     25   74   78      4   45   56   64   68   71   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     A    82_A     A    82_A     25   74   78      8   41   56   64   68   71   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     I    83_A     I    83_A     25   74   78     22   45   56   64   68   71   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     Q    84_A     Q    84_A     19   74   78     10   45   56   64   68   71   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     C    85_A     C    85_A     19   74   78      8   23   53   63   68   71   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     S    86_A     S    86_A     19   74   78      7   39   56   64   68   71   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     R    87_A     R    87_A     18   74   78      4   12   19   41   64   68   71   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     I    88_A     I    88_A     10   74   78      5    9   10   10   10   17   27   33   46   67   71   74   74   74   74   74   75   75   76   76 
LCS_GDT     L    89_A     L    89_A     10   11   78      5    9   10   10   10   10   11   13   13   16   19   26   35   42   60   71   75   75   76   76 
LCS_GDT     K    90_A     K    90_A     10   11   78      5    9   10   10   10   10   10   13   13   16   19   23   28   35   41   49   59   71   76   76 
LCS_GDT     L    91_A     L    91_A     10   11   78      5    9   10   10   10   10   11   13   13   14   16   16   18   19   21   22   24   26   28   31 
LCS_GDT     T    92_A     T    92_A     10   11   78      5    9   10   10   10   10   10   13   13   14   16   16   18   19   21   22   24   26   27   28 
LCS_GDT     L    93_A     L    93_A     10   11   16      5    9   10   10   10   10   11   13   13   14   16   16   18   19   21   22   24   26   27   28 
LCS_GDT     F    94_A     F    94_A     10   11   16      4    9   10   10   10   10   11   13   13   14   16   16   17   19   21   22   24   26   27   28 
LCS_GDT     V    95_A     V    95_A     10   11   16      4    9   10   10   10   10   11   13   13   14   16   16   18   19   21   22   24   24   27   28 
LCS_GDT     N    96_A     N    96_A     10   11   16      4    9   10   10   10   10   10   12   12   14   14   16   16   17   17   19   21   22   22   24 
LCS_GDT     G    97_A     G    97_A      4   11   16      3    3    4    4    5   10   11   13   13   14   16   16   18   19   21   22   24   26   27   28 
LCS_GDT     Q    98_A     Q    98_A      4    6   16      3    3    4    4    5    7   10   12   12   14   16   16   18   19   21   22   24   26   27   28 
LCS_GDT     P    99_A     P    99_A      4    6   16      3    3    4    4    5    6    6    7    7    7   10   12   15   19   21   22   24   26   27   28 
LCS_GDT     R   100_A     R   100_A      3    6   16      3    3    3    4    4    6    6    7    7    7   12   13   15   17   18   20   22   22   24   25 
LCS_GDT     P   101_A     P   101_A      3    5   16      2    3    3    4    4    5    6    7    7    9   13   14   15   17   17   19   20   21   21   24 
LCS_AVERAGE  LCS_A:  61.53  (  28.34   73.96   82.28 )

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     22     45     56     64     68     71     72     73     73     73     73     74     74     74     74     74     75     75     76     76 
GDT PERCENT_AT  25.29  51.72  64.37  73.56  78.16  81.61  82.76  83.91  83.91  83.91  83.91  85.06  85.06  85.06  85.06  85.06  86.21  86.21  87.36  87.36
GDT RMS_LOCAL    0.38   0.64   0.82   1.04   1.22   1.41   1.50   1.55   1.55   1.55   1.55   1.83   1.83   1.83   1.83   1.83   2.29   2.29   2.80   2.80
GDT RMS_ALL_AT  16.28  16.23  16.27  16.27  16.19  16.18  16.17  16.15  16.15  16.15  16.15  16.13  16.13  16.13  16.13  16.13  16.06  16.06  15.97  15.97

# Checking swapping
#   possible swapping detected:  E    34_A      E    34_A
#   possible swapping detected:  D    39_A      D    39_A
#   possible swapping detected:  E    58_A      E    58_A
#   possible swapping detected:  F    74_A      F    74_A
#   possible swapping detected:  F    81_A      F    81_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    K    15_A      K    15_A     1.955     0    0.512   1.276     8.448   71.429   48.307
LGA    L    16_A      L    16_A     1.223     0    0.069   0.205     2.595   81.429   76.250
LGA    I    17_A      I    17_A     0.805     0    0.040   0.727     3.660   88.214   82.321
LGA    I    18_A      I    18_A     0.946     0    0.010   1.312     3.077   90.476   76.905
LGA    K    19_A      K    19_A     0.752     0    0.054   0.744     3.074   90.476   80.106
LGA    A    20_A      A    20_A     0.554     0    0.053   0.056     0.735   90.476   90.476
LGA    Q    21_A      Q    21_A     0.856     0    0.071   0.968     4.595   88.214   75.503
LGA    L    22_A      L    22_A     0.687     0    0.051   1.000     4.552   90.476   76.667
LGA    G    23_A      G    23_A     0.393     0    0.056   0.056     0.561   97.619   97.619
LGA    E    24_A      E    24_A     0.538     0    0.137   0.432     3.888   95.238   78.836
LGA    D    25_A      D    25_A     0.677     0    0.069   0.206     1.438   88.214   87.083
LGA    I    26_A      I    26_A     1.008     0    0.046   0.625     1.465   88.214   85.952
LGA    R    27_A      R    27_A     0.944     0    0.070   1.396     9.129   88.214   53.160
LGA    R    28_A      R    28_A     0.376     0    0.082   1.278     5.274  100.000   76.017
LGA    I    29_A      I    29_A     0.191     0    0.078   1.415     4.739   97.619   81.488
LGA    P    30_A      P    30_A     0.923     0    0.100   0.207     1.444   85.952   86.599
LGA    I    31_A      I    31_A     1.034     0    0.056   0.596     3.287   83.690   79.762
LGA    H    32_A      H    32_A     0.649     0    0.032   1.558     6.830   85.952   56.905
LGA    N    33_A      N    33_A     2.257     0    0.239   1.180     5.169   77.381   59.881
LGA    E    34_A      E    34_A     2.151     0    0.059   0.675     7.545   66.905   40.582
LGA    D    35_A      D    35_A     2.189     0    0.304   0.304     4.224   72.976   61.726
LGA    I    36_A      I    36_A     1.547     0    0.083   1.053     4.192   77.143   71.607
LGA    T    37_A      T    37_A     0.680     0    0.063   1.011     2.569   90.476   83.401
LGA    Y    38_A      Y    38_A     0.580     0    0.042   0.112     0.677   92.857   95.238
LGA    D    39_A      D    39_A     0.444     0    0.041   1.081     4.819  100.000   79.524
LGA    E    40_A      E    40_A     0.421     0    0.071   1.224     4.159   97.619   82.011
LGA    L    41_A      L    41_A     0.452     0    0.024   1.063     3.776  100.000   82.917
LGA    V    42_A      V    42_A     0.717     0    0.026   0.098     1.332   90.595   89.252
LGA    L    43_A      L    43_A     1.276     0    0.012   0.227     2.483   83.690   78.333
LGA    M    44_A      M    44_A     0.893     0    0.069   0.544     1.799   90.476   87.143
LGA    M    45_A      M    45_A     0.508     0    0.024   1.251     4.254   92.857   81.786
LGA    Q    46_A      Q    46_A     1.733     0    0.074   0.945     5.770   72.976   57.143
LGA    R    47_A      R    47_A     1.840     0    0.045   1.298     4.058   77.143   71.342
LGA    V    48_A      V    48_A     0.783     0    0.092   1.201     2.469   90.595   84.354
LGA    F    49_A      F    49_A     0.777     0    0.149   0.214     1.149   85.952   88.874
LGA    R    50_A      R    50_A     2.073     0    0.360   1.408    11.011   77.381   37.446
LGA    G    51_A      G    51_A     4.356     0    0.131   0.131     5.250   40.952   40.952
LGA    K    52_A      K    52_A     2.393     0    0.222   0.913     3.175   61.071   67.831
LGA    L    53_A      L    53_A     1.482     0    0.120   1.036     4.185   63.690   63.810
LGA    L    54_A      L    54_A     3.235     0    0.051   1.017     6.425   57.381   45.536
LGA    S    55_A      S    55_A     4.003     0    0.037   0.647     6.859   45.119   36.667
LGA    N    56_A      N    56_A     3.148     0    0.209   1.073     6.721   51.786   39.226
LGA    D    57_A      D    57_A     1.550     0    0.028   0.128     2.987   75.119   71.071
LGA    E    58_A      E    58_A     0.345     0    0.138   1.086     3.769   95.238   78.254
LGA    V    59_A      V    59_A     1.605     0    0.149   1.130     2.997   75.000   69.524
LGA    T    60_A      T    60_A     1.369     0    0.065   0.947     3.014   81.429   73.469
LGA    I    61_A      I    61_A     1.083     0    0.097   1.386     4.183   83.690   73.869
LGA    K    62_A      K    62_A     0.706     0    0.049   0.207     0.909   90.476   93.651
LGA    Y    63_A      Y    63_A     0.572     0    0.086   0.213     1.752   92.857   86.071
LGA    K    64_A      K    64_A     0.733     0    0.090   0.621     3.810   92.857   79.048
LGA    A    65_A      A    65_A     1.327     0    0.051   0.057     1.513   77.143   76.286
LGA    E    66_A      E    66_A     1.921     0    0.616   0.605     3.292   65.119   59.153
LGA    R    67_A      R    67_A     3.385     0    0.407   1.463    14.621   57.262   26.017
LGA    G    68_A      G    68_A     2.238     0    0.113   0.113     2.521   66.905   66.905
LGA    D    69_A      D    69_A     1.340     0    0.096   1.065     2.136   83.810   78.393
LGA    L    70_A      L    70_A     0.301     0    0.056   1.407     3.350   97.619   84.643
LGA    I    71_A      I    71_A     0.655     0    0.050   0.083     1.050   92.857   90.536
LGA    T    72_A      T    72_A     1.083     0    0.083   1.001     2.739   83.690   79.252
LGA    I    73_A      I    73_A     1.009     0    0.074   0.172     1.482   83.690   83.690
LGA    F    74_A      F    74_A     0.941     0    0.080   0.211     1.694   88.214   82.381
LGA    D    75_A      D    75_A     0.724     0    0.026   0.143     1.224   90.476   89.345
LGA    S    76_A      S    76_A     0.624     0    0.052   0.639     2.429   90.476   86.190
LGA    S    77_A      S    77_A     1.194     0    0.078   0.530     1.896   85.952   84.524
LGA    D    78_A      D    78_A     0.716     0    0.054   0.338     1.774   90.476   87.143
LGA    L    79_A      L    79_A     0.678     0    0.029   0.285     1.833   90.476   87.143
LGA    S    80_A      S    80_A     0.668     0    0.114   0.588     1.741   92.857   89.127
LGA    F    81_A      F    81_A     1.343     0    0.082   0.619     3.747   81.429   69.091
LGA    A    82_A      A    82_A     1.302     0    0.030   0.063     1.649   83.690   81.524
LGA    I    83_A      I    83_A     0.451     0    0.028   0.245     2.844   97.619   86.548
LGA    Q    84_A      Q    84_A     1.150     0    0.045   1.175     5.892   83.690   64.497
LGA    C    85_A      C    85_A     1.861     0    0.177   0.174     3.160   77.143   69.286
LGA    S    86_A      S    86_A     1.358     0    0.609   0.730     4.876   69.286   59.762
LGA    R    87_A      R    87_A     3.754     0    0.540   1.512     8.301   30.595   22.078
LGA    I    88_A      I    88_A     8.547     0    0.047   1.209    10.876    8.214    4.821
LGA    L    89_A      L    89_A    12.234     0    0.109   0.209    18.423    0.000    0.000
LGA    K    90_A      K    90_A    14.737     0    0.059   0.617    17.061    0.000    0.159
LGA    L    91_A      L    91_A    21.801     0    0.042   0.175    25.304    0.000    0.000
LGA    T    92_A      T    92_A    25.887     0    0.062   1.064    29.294    0.000    0.000
LGA    L    93_A      L    93_A    33.293     0    0.065   0.707    35.219    0.000    0.000
LGA    F    94_A      F    94_A    38.217     0    0.089   1.304    41.580    0.000    0.000
LGA    V    95_A      V    95_A    45.467     0    0.056   0.076    49.531    0.000    0.000
LGA    N    96_A      N    96_A    50.304     0    0.491   0.516    51.848    0.000    0.000
LGA    G    97_A      G    97_A    51.337     0    0.283   0.283    51.337    0.000    0.000
LGA    Q    98_A      Q    98_A    49.594     0    0.608   1.249    50.459    0.000    0.000
LGA    P    99_A      P    99_A    49.807     0    0.637   0.540    50.708    0.000    0.000
LGA    R   100_A      R   100_A    53.205     0    0.540   1.390    55.162    0.000    0.000
LGA    P   101_A      P   101_A    58.032     0    0.743   0.702    59.417    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):    13.901         13.962                 13.850           69.130   61.494

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  101   87    4.0     73    1.55    73.563    76.329     4.417

LGA_LOCAL      RMSD:   1.553  Number of atoms:   73  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  16.154  Number of assigned atoms:   87 
Std_ASGN_ATOMS RMSD:  13.901  Standard rmsd on all 87 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.565551 * X  +  -0.698221 * Y  +   0.438908 * Z  +   0.004451
  Y_new =  -0.418314 * X  +   0.215791 * Y  +   0.882297 * Z  + -62.707302
  Z_new =  -0.710750 * X  +  -0.682585 * Y  +  -0.170035 * Z  +  95.157089 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.636849  0.790564 -1.814932   [DEG:  -36.4888   45.2960 -103.9879 ]
ZXZ:  2.679978  1.741661 -2.335983   [DEG:  153.5515   99.7898 -133.8420 ]
 
# END of job
