
#######################################################
#                                                     #
#                        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        4.68    15.29
  LCS_AVERAGE:     82.64

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    74      15_A - 88_A        1.91    15.74
  LCS_AVERAGE:     73.85

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    22      58_A - 79_A        1.00    15.96
  LCS_AVERAGE:     18.09

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     18   74   78      3   11   19   24   30   51   66   70   72   73   73   74   74   74   74   74   74   75   75   75 
LCS_GDT     L    16_A     L    16_A     18   74   78      9   14   27   60   65   69   70   71   72   73   73   74   74   74   74   74   74   75   75   75 
LCS_GDT     I    17_A     I    17_A     18   74   78      9   14   50   62   65   69   70   71   72   73   73   74   74   74   74   74   74   75   75   75 
LCS_GDT     I    18_A     I    18_A     18   74   78      9   38   55   62   65   69   70   71   72   73   73   74   74   74   74   74   74   75   75   75 
LCS_GDT     K    19_A     K    19_A     18   74   78     10   42   55   62   65   69   70   71   72   73   73   74   74   74   74   74   74   75   75   75 
LCS_GDT     A    20_A     A    20_A     18   74   78     10   42   55   62   65   69   70   71   72   73   73   74   74   74   74   74   74   75   75   75 
LCS_GDT     Q    21_A     Q    21_A     18   74   78     19   42   55   62   65   69   70   71   72   73   73   74   74   74   74   74   74   75   75   75 
LCS_GDT     L    22_A     L    22_A     18   74   78      5   32   55   62   65   69   70   71   72   73   73   74   74   74   74   74   74   75   75   75 
LCS_GDT     G    23_A     G    23_A     18   74   78      9   28   55   62   65   69   70   71   72   73   73   74   74   74   74   74   74   75   75   75 
LCS_GDT     E    24_A     E    24_A     18   74   78      5   28   55   62   65   69   70   71   72   73   73   74   74   74   74   74   74   75   75   75 
LCS_GDT     D    25_A     D    25_A     18   74   78      9   40   55   62   65   69   70   71   72   73   73   74   74   74   74   74   74   75   75   75 
LCS_GDT     I    26_A     I    26_A     18   74   78      5   32   55   62   65   69   70   71   72   73   73   74   74   74   74   74   74   75   75   75 
LCS_GDT     R    27_A     R    27_A     18   74   78      7   41   55   62   65   69   70   71   72   73   73   74   74   74   74   74   74   75   75   75 
LCS_GDT     R    28_A     R    28_A     18   74   78     19   42   55   62   65   69   70   71   72   73   73   74   74   74   74   74   74   75   75   75 
LCS_GDT     I    29_A     I    29_A     18   74   78     19   42   55   62   65   69   70   71   72   73   73   74   74   74   74   74   74   75   75   75 
LCS_GDT     P    30_A     P    30_A     18   74   78      9   36   55   62   65   69   70   71   72   73   73   74   74   74   74   74   74   75   75   75 
LCS_GDT     I    31_A     I    31_A     18   74   78      9   38   55   62   65   69   70   71   72   73   73   74   74   74   74   74   74   75   75   75 
LCS_GDT     H    32_A     H    32_A     18   74   78      9   36   55   62   65   69   70   71   72   73   73   74   74   74   74   74   74   75   75   75 
LCS_GDT     N    33_A     N    33_A      3   74   78      3   23   52   62   65   69   70   71   72   73   73   74   74   74   74   74   74   75   75   75 
LCS_GDT     E    34_A     E    34_A      3   74   78      3    3    4    5   30   50   66   71   72   73   73   74   74   74   74   74   74   75   75   75 
LCS_GDT     D    35_A     D    35_A     16   74   78      3    7   47   62   65   69   70   71   72   73   73   74   74   74   74   74   74   75   75   75 
LCS_GDT     I    36_A     I    36_A     16   74   78     16   42   55   62   65   69   70   71   72   73   73   74   74   74   74   74   74   75   75   75 
LCS_GDT     T    37_A     T    37_A     16   74   78     19   42   55   62   65   69   70   71   72   73   73   74   74   74   74   74   74   75   75   75 
LCS_GDT     Y    38_A     Y    38_A     16   74   78     18   42   55   62   65   69   70   71   72   73   73   74   74   74   74   74   74   75   75   75 
LCS_GDT     D    39_A     D    39_A     16   74   78     18   42   55   62   65   69   70   71   72   73   73   74   74   74   74   74   74   75   75   75 
LCS_GDT     E    40_A     E    40_A     16   74   78     19   42   55   62   65   69   70   71   72   73   73   74   74   74   74   74   74   75   75   75 
LCS_GDT     L    41_A     L    41_A     16   74   78     19   42   55   62   65   69   70   71   72   73   73   74   74   74   74   74   74   75   75   75 
LCS_GDT     V    42_A     V    42_A     16   74   78     19   42   55   62   65   69   70   71   72   73   73   74   74   74   74   74   74   75   75   75 
LCS_GDT     L    43_A     L    43_A     16   74   78     19   42   55   62   65   69   70   71   72   73   73   74   74   74   74   74   74   75   75   75 
LCS_GDT     M    44_A     M    44_A     16   74   78     19   42   55   62   65   69   70   71   72   73   73   74   74   74   74   74   74   75   75   75 
LCS_GDT     M    45_A     M    45_A     16   74   78     19   42   55   62   65   69   70   71   72   73   73   74   74   74   74   74   74   75   75   75 
LCS_GDT     Q    46_A     Q    46_A     16   74   78     19   42   55   62   65   69   70   71   72   73   73   74   74   74   74   74   74   75   75   75 
LCS_GDT     R    47_A     R    47_A     16   74   78     19   42   55   62   65   69   70   71   72   73   73   74   74   74   74   74   74   75   75   75 
LCS_GDT     V    48_A     V    48_A     16   74   78     11   42   55   62   65   69   70   71   72   73   73   74   74   74   74   74   74   75   75   75 
LCS_GDT     F    49_A     F    49_A     16   74   78     15   42   55   62   65   69   70   71   72   73   73   74   74   74   74   74   74   75   75   75 
LCS_GDT     R    50_A     R    50_A     16   74   78     14   40   55   62   65   69   70   71   72   73   73   74   74   74   74   74   74   75   75   75 
LCS_GDT     G    51_A     G    51_A     16   74   78      3    6   40   53   64   69   70   71   72   73   73   74   74   74   74   74   74   75   75   75 
LCS_GDT     K    52_A     K    52_A      4   74   78      3    6   36   52   64   69   70   71   72   73   73   74   74   74   74   74   74   75   75   75 
LCS_GDT     L    53_A     L    53_A      4   74   78      3   16   52   62   65   69   70   71   72   73   73   74   74   74   74   74   74   75   75   75 
LCS_GDT     L    54_A     L    54_A      4   74   78      3    5    7   10   11   40   67   71   71   73   73   74   74   74   74   74   74   75   75   75 
LCS_GDT     S    55_A     S    55_A      4   74   78      8   32   53   62   65   69   70   71   72   73   73   74   74   74   74   74   74   75   75   75 
LCS_GDT     N    56_A     N    56_A      4   74   78      3    3   27   52   65   66   70   71   72   73   73   74   74   74   74   74   74   75   75   75 
LCS_GDT     D    57_A     D    57_A      7   74   78      3    3   14   42   60   69   70   71   72   73   73   74   74   74   74   74   74   75   75   75 
LCS_GDT     E    58_A     E    58_A     22   74   78     19   42   55   62   65   69   70   71   72   73   73   74   74   74   74   74   74   75   75   75 
LCS_GDT     V    59_A     V    59_A     22   74   78     19   42   55   62   65   69   70   71   72   73   73   74   74   74   74   74   74   75   75   75 
LCS_GDT     T    60_A     T    60_A     22   74   78     17   42   55   62   65   69   70   71   72   73   73   74   74   74   74   74   74   75   75   75 
LCS_GDT     I    61_A     I    61_A     22   74   78     17   42   55   62   65   69   70   71   72   73   73   74   74   74   74   74   74   75   75   75 
LCS_GDT     K    62_A     K    62_A     22   74   78     17   42   55   62   65   69   70   71   72   73   73   74   74   74   74   74   74   75   75   75 
LCS_GDT     Y    63_A     Y    63_A     22   74   78     19   42   55   62   65   69   70   71   72   73   73   74   74   74   74   74   74   75   75   75 
LCS_GDT     K    64_A     K    64_A     22   74   78     14   42   55   62   65   69   70   71   72   73   73   74   74   74   74   74   74   75   75   75 
LCS_GDT     A    65_A     A    65_A     22   74   78     19   42   55   62   65   69   70   71   72   73   73   74   74   74   74   74   74   75   75   75 
LCS_GDT     E    66_A     E    66_A     22   74   78     19   42   55   62   65   69   70   71   72   73   73   74   74   74   74   74   74   75   75   75 
LCS_GDT     R    67_A     R    67_A     22   74   78      4   19   31   60   65   69   70   71   72   73   73   74   74   74   74   74   74   75   75   75 
LCS_GDT     G    68_A     G    68_A     22   74   78      4   24   52   62   65   69   70   71   72   73   73   74   74   74   74   74   74   75   75   75 
LCS_GDT     D    69_A     D    69_A     22   74   78      5   25   52   62   65   69   70   71   72   73   73   74   74   74   74   74   74   75   75   75 
LCS_GDT     L    70_A     L    70_A     22   74   78      7   37   55   62   65   69   70   71   72   73   73   74   74   74   74   74   74   75   75   75 
LCS_GDT     I    71_A     I    71_A     22   74   78     15   42   55   62   65   69   70   71   72   73   73   74   74   74   74   74   74   75   75   75 
LCS_GDT     T    72_A     T    72_A     22   74   78     19   42   55   62   65   69   70   71   72   73   73   74   74   74   74   74   74   75   75   75 
LCS_GDT     I    73_A     I    73_A     22   74   78     17   42   55   62   65   69   70   71   72   73   73   74   74   74   74   74   74   75   75   75 
LCS_GDT     F    74_A     F    74_A     22   74   78      4   41   55   62   65   69   70   71   72   73   73   74   74   74   74   74   74   75   75   75 
LCS_GDT     D    75_A     D    75_A     22   74   78     19   42   55   62   65   69   70   71   72   73   73   74   74   74   74   74   74   75   75   75 
LCS_GDT     S    76_A     S    76_A     22   74   78     16   42   55   62   65   69   70   71   72   73   73   74   74   74   74   74   74   75   75   75 
LCS_GDT     S    77_A     S    77_A     22   74   78     18   42   55   62   65   69   70   71   72   73   73   74   74   74   74   74   74   75   75   75 
LCS_GDT     D    78_A     D    78_A     22   74   78     19   42   55   62   65   69   70   71   72   73   73   74   74   74   74   74   74   75   75   75 
LCS_GDT     L    79_A     L    79_A     22   74   78     14   42   55   62   65   69   70   71   72   73   73   74   74   74   74   74   74   75   75   75 
LCS_GDT     S    80_A     S    80_A     19   74   78      8   41   55   62   65   69   70   71   72   73   73   74   74   74   74   74   74   75   75   75 
LCS_GDT     F    81_A     F    81_A     19   74   78      8   42   55   62   65   69   70   71   72   73   73   74   74   74   74   74   74   75   75   75 
LCS_GDT     A    82_A     A    82_A     19   74   78      8   42   55   62   65   69   70   71   72   73   73   74   74   74   74   74   74   75   75   75 
LCS_GDT     I    83_A     I    83_A     19   74   78     11   42   55   62   65   69   70   71   72   73   73   74   74   74   74   74   74   75   75   75 
LCS_GDT     Q    84_A     Q    84_A     19   74   78     11   42   55   62   65   69   70   71   72   73   73   74   74   74   74   74   74   75   75   75 
LCS_GDT     C    85_A     C    85_A     19   74   78     11   42   55   62   65   69   70   71   72   73   73   74   74   74   74   74   74   75   75   75 
LCS_GDT     S    86_A     S    86_A     19   74   78     19   42   55   62   65   69   70   71   72   73   73   74   74   74   74   74   74   75   75   75 
LCS_GDT     R    87_A     R    87_A     18   74   78      4   14   30   54   64   69   70   71   72   73   73   74   74   74   74   74   74   75   75   75 
LCS_GDT     I    88_A     I    88_A     10   74   78      4    9   10   10   17   28   36   53   62   72   73   74   74   74   74   74   74   75   75   75 
LCS_GDT     L    89_A     L    89_A     10   11   78      4    9   10   10   10   11   12   14   15   16   18   22   35   43   56   65   73   75   75   75 
LCS_GDT     K    90_A     K    90_A     10   11   78      6    9   10   10   10   11   12   14   15   16   18   20   26   31   38   45   51   60   66   75 
LCS_GDT     L    91_A     L    91_A     10   11   78      6    9   10   10   10   11   12   14   15   16   18   20   21   23   25   25   27   29   30   31 
LCS_GDT     T    92_A     T    92_A     10   11   78      4    9   10   10   10   10   12   14   15   16   18   20   21   23   25   25   27   29   30   31 
LCS_GDT     L    93_A     L    93_A     10   11   19      6    9   10   10   10   11   12   14   15   16   18   20   21   23   25   25   27   29   30   31 
LCS_GDT     F    94_A     F    94_A     10   11   19      6    9   10   10   10   11   12   14   15   16   18   20   21   23   25   25   27   29   30   31 
LCS_GDT     V    95_A     V    95_A     10   11   19      6    9   10   10   10   11   12   14   15   16   18   20   21   23   25   25   27   29   30   31 
LCS_GDT     N    96_A     N    96_A     10   11   19      6    8   10   10   10   10   10   14   15   16   16   20   20   23   25   25   25   26   30   31 
LCS_GDT     G    97_A     G    97_A      3   11   19      3    3    3    3    9   11   12   14   15   16   18   20   21   23   25   25   27   29   30   31 
LCS_GDT     Q    98_A     Q    98_A      3    4   19      3    3    3    3    4    5    6   11   15   16   18   20   21   23   25   25   27   29   30   31 
LCS_GDT     P    99_A     P    99_A      3    4   19      3    3    3    3    4    5    6    7    7    7   15   19   21   23   25   25   27   29   30   31 
LCS_GDT     R   100_A     R   100_A      3    4   19      3    3    3    3    4    5    9   11   15   16   18   20   21   23   25   25   27   29   30   31 
LCS_GDT     P   101_A     P   101_A      3    3   19      3    3    3    3    9   11   12   14   15   16   18   20   21   23   25   25   27   29   30   31 
LCS_AVERAGE  LCS_A:  58.19  (  18.09   73.85   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     19     42     55     62     65     69     70     71     72     73     73     74     74     74     74     74     74     75     75     75 
GDT PERCENT_AT  21.84  48.28  63.22  71.26  74.71  79.31  80.46  81.61  82.76  83.91  83.91  85.06  85.06  85.06  85.06  85.06  85.06  86.21  86.21  86.21
GDT RMS_LOCAL    0.34   0.63   0.84   1.04   1.17   1.39   1.44   1.55   1.63   1.73   1.73   1.91   1.91   1.91   1.91   1.91   1.91   2.32   2.32   2.32
GDT RMS_ALL_AT  15.88  15.78  15.85  15.85  15.84  15.73  15.76  15.76  15.78  15.77  15.77  15.74  15.74  15.74  15.74  15.74  15.74  15.69  15.69  15.69

# Checking swapping
#   possible swapping detected:  E    24_A      E    24_A
#   possible swapping detected:  D    25_A      D    25_A
#   possible swapping detected:  E    34_A      E    34_A
#   possible swapping detected:  D    35_A      D    35_A
#   possible swapping detected:  D    39_A      D    39_A
#   possible swapping detected:  E    40_A      E    40_A
#   possible swapping detected:  F    49_A      F    49_A
#   possible swapping detected:  Y    63_A      Y    63_A
#   possible swapping detected:  E    66_A      E    66_A
#   possible swapping detected:  F    74_A      F    74_A
#   possible swapping detected:  D    78_A      D    78_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    K    15_A      K    15_A     4.882     0    0.502   1.087     6.651   34.524   44.603
LGA    L    16_A      L    16_A     2.688     0    0.149   0.954     4.357   59.048   54.702
LGA    I    17_A      I    17_A     2.004     0    0.041   0.726     4.219   64.881   61.429
LGA    I    18_A      I    18_A     1.417     0    0.108   0.648     1.769   81.429   79.286
LGA    K    19_A      K    19_A     0.974     0    0.065   0.244     1.696   88.214   84.497
LGA    A    20_A      A    20_A     1.043     0    0.155   0.178     1.314   85.952   85.048
LGA    Q    21_A      Q    21_A     0.637     0    0.091   1.179     6.022   92.857   70.794
LGA    L    22_A      L    22_A     1.492     0    0.094   0.124     1.743   81.429   80.357
LGA    G    23_A      G    23_A     1.759     0    0.077   0.077     1.759   75.000   75.000
LGA    E    24_A      E    24_A     1.637     0    0.150   0.816     4.401   81.667   68.413
LGA    D    25_A      D    25_A     1.190     0    0.071   0.425     2.458   81.429   77.202
LGA    I    26_A      I    26_A     1.546     0    0.667   0.965     5.480   69.286   56.071
LGA    R    27_A      R    27_A     1.179     0    0.079   1.179     2.833   88.214   76.320
LGA    R    28_A      R    28_A     0.735     0    0.080   1.205     9.207   90.476   55.628
LGA    I    29_A      I    29_A     0.471     0    0.086   0.529     2.207   95.238   90.833
LGA    P    30_A      P    30_A     1.227     0    0.102   0.174     1.831   81.786   84.286
LGA    I    31_A      I    31_A     1.573     0    0.200   0.648     3.589   72.857   64.286
LGA    H    32_A      H    32_A     1.719     0    0.619   0.510     3.084   69.286   61.333
LGA    N    33_A      N    33_A     1.758     0    0.287   0.753     8.494   58.690   37.917
LGA    E    34_A      E    34_A     5.182     0    0.123   0.438    11.607   34.524   16.772
LGA    D    35_A      D    35_A     2.410     0    0.663   0.616     4.501   61.190   53.333
LGA    I    36_A      I    36_A     0.722     0    0.119   0.253     2.480   86.071   77.440
LGA    T    37_A      T    37_A     0.473     0    0.081   0.091     0.635  100.000   98.639
LGA    Y    38_A      Y    38_A     0.516     0    0.031   0.045     0.602   92.857   97.619
LGA    D    39_A      D    39_A     0.594     0    0.034   0.194     1.108   95.238   92.917
LGA    E    40_A      E    40_A     0.255     0    0.042   0.065     0.780  100.000   95.767
LGA    L    41_A      L    41_A     0.213     0    0.064   0.092     0.245  100.000  100.000
LGA    V    42_A      V    42_A     0.191     0    0.055   0.079     0.275  100.000  100.000
LGA    L    43_A      L    43_A     0.196     0    0.026   0.094     0.503  100.000   98.810
LGA    M    44_A      M    44_A     0.098     0    0.024   0.681     3.046  100.000   88.393
LGA    M    45_A      M    45_A     0.246     0    0.026   0.287     0.611  100.000   98.810
LGA    Q    46_A      Q    46_A     0.382     0    0.045   0.118     0.876   97.619   95.767
LGA    R    47_A      R    47_A     0.145     0    0.060   1.181     5.423  100.000   75.022
LGA    V    48_A      V    48_A     0.863     0    0.179   1.219     3.590   88.452   78.776
LGA    F    49_A      F    49_A     0.923     0    0.200   0.275     2.178   81.786   77.792
LGA    R    50_A      R    50_A     1.427     0    0.429   1.351    12.623   86.071   39.264
LGA    G    51_A      G    51_A     3.160     0    0.236   0.236     5.456   48.095   48.095
LGA    K    52_A      K    52_A     3.242     0    0.203   1.210     7.608   55.476   36.878
LGA    L    53_A      L    53_A     1.757     0    0.650   1.426     4.411   60.357   62.619
LGA    L    54_A      L    54_A     5.008     0    0.662   1.499    11.267   40.833   22.083
LGA    S    55_A      S    55_A     1.997     0    0.061   0.088     5.413   66.786   56.111
LGA    N    56_A      N    56_A     3.270     0    0.634   1.311     7.061   48.929   37.917
LGA    D    57_A      D    57_A     3.337     0    0.648   1.307     8.083   61.190   36.310
LGA    E    58_A      E    58_A     0.605     0    0.101   0.902     2.530   90.476   80.847
LGA    V    59_A      V    59_A     0.731     0    0.061   0.092     1.071   85.952   89.252
LGA    T    60_A      T    60_A     1.032     0    0.082   1.216     3.954   88.214   78.639
LGA    I    61_A      I    61_A     0.711     0    0.068   0.083     0.847   92.857   91.667
LGA    K    62_A      K    62_A     0.684     0    0.074   0.206     1.931   95.238   88.624
LGA    Y    63_A      Y    63_A     0.197     0    0.081   0.856     6.590   97.619   66.310
LGA    K    64_A      K    64_A     0.642     0    0.133   0.898     6.016   88.452   64.127
LGA    A    65_A      A    65_A     0.817     0    0.051   0.077     1.755   92.976   88.952
LGA    E    66_A      E    66_A     0.799     0    0.643   0.776     4.489   82.143   66.190
LGA    R    67_A      R    67_A     3.143     0    0.392   1.713    13.977   61.071   27.965
LGA    G    68_A      G    68_A     2.293     0    0.178   0.178     3.314   61.071   61.071
LGA    D    69_A      D    69_A     2.055     0    0.074   1.290     4.214   72.976   63.512
LGA    L    70_A      L    70_A     1.279     0    0.044   1.364     4.082   79.286   67.679
LGA    I    71_A      I    71_A     0.934     0    0.041   0.079     1.806   92.857   85.000
LGA    T    72_A      T    72_A     0.509     0    0.100   1.068     3.175   88.333   78.707
LGA    I    73_A      I    73_A     0.636     0    0.083   0.098     0.866   90.476   90.476
LGA    F    74_A      F    74_A     1.091     0    0.252   0.167     4.997   92.976   60.693
LGA    D    75_A      D    75_A     0.397     0    0.060   0.341     1.973  100.000   93.095
LGA    S    76_A      S    76_A     0.529     0    0.040   0.650     3.274   92.857   85.317
LGA    S    77_A      S    77_A     0.643     0    0.045   0.228     1.974   95.238   89.206
LGA    D    78_A      D    78_A     0.537     0    0.067   0.167     0.741   92.857   91.667
LGA    L    79_A      L    79_A     0.782     0    0.077   1.370     3.352   90.476   80.952
LGA    S    80_A      S    80_A     0.978     0    0.072   0.696     1.545   90.476   86.032
LGA    F    81_A      F    81_A     1.172     0    0.056   0.255     4.180   85.952   63.506
LGA    A    82_A      A    82_A     1.117     0    0.038   0.046     1.518   88.214   85.143
LGA    I    83_A      I    83_A     0.782     0    0.048   0.167     2.132   90.476   83.869
LGA    Q    84_A      Q    84_A     0.987     0    0.055   0.907     5.106   90.476   68.571
LGA    C    85_A      C    85_A     1.008     0    0.219   0.803     4.371   88.214   78.571
LGA    S    86_A      S    86_A     0.511     0    0.574   0.819     2.732   86.429   83.810
LGA    R    87_A      R    87_A     2.931     0    0.587   0.948     9.798   39.524   23.117
LGA    I    88_A      I    88_A     7.255     0    0.630   1.203     8.645   12.738   10.536
LGA    L    89_A      L    89_A    11.778     0    0.410   1.359    15.656    0.119    0.060
LGA    K    90_A      K    90_A    14.928     0    0.068   0.462    17.173    0.000    0.529
LGA    L    91_A      L    91_A    21.931     0    0.044   0.120    24.674    0.000    0.000
LGA    T    92_A      T    92_A    26.381     0    0.076   0.172    29.756    0.000    0.000
LGA    L    93_A      L    93_A    33.598     0    0.138   1.191    36.897    0.000    0.000
LGA    F    94_A      F    94_A    38.621     0    0.068   0.401    42.102    0.000    0.000
LGA    V    95_A      V    95_A    45.887     0    0.058   0.074    49.821    0.000    0.000
LGA    N    96_A      N    96_A    51.125     0    0.423   0.399    52.659    0.000    0.000
LGA    G    97_A      G    97_A    50.946     0    0.583   0.583    51.260    0.000    0.000
LGA    Q    98_A      Q    98_A    52.856     0    0.600   1.221    57.984    0.000    0.000
LGA    P    99_A      P    99_A    48.975     0    0.726   0.653    49.909    0.000    0.000
LGA    R   100_A      R   100_A    47.448     0    0.278   1.005    49.721    0.000    0.000
LGA    P   101_A      P   101_A    49.056     0    0.749   0.979    50.263    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):    13.508         13.524                 13.590           68.446   60.538

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  101   87    4.0     71    1.55    71.552    75.088     4.303

LGA_LOCAL      RMSD:   1.550  Number of atoms:   71  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  15.756  Number of assigned atoms:   87 
Std_ASGN_ATOMS RMSD:  13.508  Standard rmsd on all 87 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.738742 * X  +   0.254447 * Y  +   0.624112 * Z  + -17.476604
  Y_new =   0.544632 * X  +  -0.320121 * Y  +   0.775176 * Z  +  27.456137
  Z_new =   0.397033 * X  +   0.912567 * Y  +   0.097907 * Z  +   5.747441 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.506306 -0.408282  1.463918   [DEG:  143.6008  -23.3928   83.8763 ]
ZXZ:  2.463736  1.472732  0.410371   [DEG:  141.1617   84.3814   23.5125 ]
 
# END of job
