
#######################################################
#                                                     #
#                        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        4.16    15.34
  LCS_AVERAGE:     81.86

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    74      15_A - 88_A        1.81    15.61
  LCS_AVERAGE:     73.72

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    32      55_A - 86_A        0.98    15.68
  LONGEST_CONTINUOUS_SEGMENT:    32      56_A - 87_A        0.94    15.71
  LCS_AVERAGE:     23.07

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   10   17   25   33   50   69   71   72   74   74   74   74   74   74   75   75   76   76   76 
LCS_GDT     L    16_A     L    16_A     18   74   78      5   15   32   61   68   69   69   71   72   74   74   74   74   74   74   75   75   76   76   76 
LCS_GDT     I    17_A     I    17_A     18   74   78      7   36   59   65   68   69   69   71   72   74   74   74   74   74   74   75   75   76   76   76 
LCS_GDT     I    18_A     I    18_A     18   74   78      7   36   59   65   68   69   69   71   72   74   74   74   74   74   74   75   75   76   76   76 
LCS_GDT     K    19_A     K    19_A     18   74   78      7   40   59   65   68   69   69   71   72   74   74   74   74   74   74   75   75   76   76   76 
LCS_GDT     A    20_A     A    20_A     18   74   78      7   34   59   65   68   69   69   71   72   74   74   74   74   74   74   75   75   76   76   76 
LCS_GDT     Q    21_A     Q    21_A     18   74   78      5   40   59   65   68   69   69   71   72   74   74   74   74   74   74   75   75   76   76   76 
LCS_GDT     L    22_A     L    22_A     18   74   78      5   36   59   65   68   69   69   71   72   74   74   74   74   74   74   75   75   76   76   76 
LCS_GDT     G    23_A     G    23_A     18   74   78      6   28   58   65   68   69   69   71   72   74   74   74   74   74   74   75   75   76   76   76 
LCS_GDT     E    24_A     E    24_A     18   74   78      4   34   59   65   68   69   69   71   72   74   74   74   74   74   74   75   75   76   76   76 
LCS_GDT     D    25_A     D    25_A     18   74   78      3   15   57   65   68   69   69   71   72   74   74   74   74   74   74   75   75   76   76   76 
LCS_GDT     I    26_A     I    26_A     18   74   78      5   38   59   65   68   69   69   71   72   74   74   74   74   74   74   75   75   76   76   76 
LCS_GDT     R    27_A     R    27_A     18   74   78     11   40   59   65   68   69   69   71   72   74   74   74   74   74   74   75   75   76   76   76 
LCS_GDT     R    28_A     R    28_A     18   74   78     12   40   59   65   68   69   69   71   72   74   74   74   74   74   74   75   75   76   76   76 
LCS_GDT     I    29_A     I    29_A     18   74   78      5   36   59   65   68   69   69   71   72   74   74   74   74   74   74   75   75   76   76   76 
LCS_GDT     P    30_A     P    30_A     18   74   78      6   30   58   65   68   69   69   71   72   74   74   74   74   74   74   75   75   76   76   76 
LCS_GDT     I    31_A     I    31_A     18   74   78      7   33   59   65   68   69   69   71   72   74   74   74   74   74   74   75   75   76   76   76 
LCS_GDT     H    32_A     H    32_A     18   74   78     10   40   59   65   68   69   69   71   72   74   74   74   74   74   74   75   75   76   76   76 
LCS_GDT     N    33_A     N    33_A      8   74   78      3   36   59   65   68   69   69   71   72   74   74   74   74   74   74   75   75   76   76   76 
LCS_GDT     E    34_A     E    34_A      3   74   78      3    3    3    7   25   44   60   71   72   74   74   74   74   74   74   75   75   76   76   76 
LCS_GDT     D    35_A     D    35_A     16   74   78     11   22   51   65   68   69   69   71   72   74   74   74   74   74   74   75   75   76   76   76 
LCS_GDT     I    36_A     I    36_A     16   74   78     12   40   59   65   68   69   69   71   72   74   74   74   74   74   74   75   75   76   76   76 
LCS_GDT     T    37_A     T    37_A     16   74   78     13   40   59   65   68   69   69   71   72   74   74   74   74   74   74   75   75   76   76   76 
LCS_GDT     Y    38_A     Y    38_A     16   74   78     10   40   59   65   68   69   69   71   72   74   74   74   74   74   74   75   75   76   76   76 
LCS_GDT     D    39_A     D    39_A     16   74   78     12   40   59   65   68   69   69   71   72   74   74   74   74   74   74   75   75   76   76   76 
LCS_GDT     E    40_A     E    40_A     16   74   78     14   40   59   65   68   69   69   71   72   74   74   74   74   74   74   75   75   76   76   76 
LCS_GDT     L    41_A     L    41_A     16   74   78     13   40   59   65   68   69   69   71   72   74   74   74   74   74   74   75   75   76   76   76 
LCS_GDT     V    42_A     V    42_A     16   74   78     14   40   59   65   68   69   69   71   72   74   74   74   74   74   74   75   75   76   76   76 
LCS_GDT     L    43_A     L    43_A     16   74   78     14   40   59   65   68   69   69   71   72   74   74   74   74   74   74   75   75   76   76   76 
LCS_GDT     M    44_A     M    44_A     16   74   78     14   40   59   65   68   69   69   71   72   74   74   74   74   74   74   75   75   76   76   76 
LCS_GDT     M    45_A     M    45_A     16   74   78     14   40   59   65   68   69   69   71   72   74   74   74   74   74   74   75   75   76   76   76 
LCS_GDT     Q    46_A     Q    46_A     16   74   78     12   40   59   65   68   69   69   71   72   74   74   74   74   74   74   75   75   76   76   76 
LCS_GDT     R    47_A     R    47_A     16   74   78     14   40   59   65   68   69   69   71   72   74   74   74   74   74   74   75   75   76   76   76 
LCS_GDT     V    48_A     V    48_A     16   74   78     14   40   59   65   68   69   69   71   72   74   74   74   74   74   74   75   75   76   76   76 
LCS_GDT     F    49_A     F    49_A     16   74   78     12   40   59   65   68   69   69   71   72   74   74   74   74   74   74   75   75   76   76   76 
LCS_GDT     R    50_A     R    50_A     16   74   78     12   30   59   65   68   69   69   71   72   74   74   74   74   74   74   75   75   76   76   76 
LCS_GDT     G    51_A     G    51_A      4   74   78      3   14   31   60   66   69   69   71   72   74   74   74   74   74   74   75   75   76   76   76 
LCS_GDT     K    52_A     K    52_A      4   74   78      3    6   16   23   28   45   62   71   72   74   74   74   74   74   74   75   75   76   76   76 
LCS_GDT     L    53_A     L    53_A      4   74   78      3    8   47   65   68   69   69   71   72   74   74   74   74   74   74   75   75   76   76   76 
LCS_GDT     L    54_A     L    54_A      4   74   78      4    4    5    7    8   16   28   70   72   74   74   74   74   74   74   75   75   76   76   76 
LCS_GDT     S    55_A     S    55_A     32   74   78      4   12   51   65   68   69   69   71   72   74   74   74   74   74   74   75   75   76   76   76 
LCS_GDT     N    56_A     N    56_A     32   74   78      5   13   56   64   68   69   69   71   72   74   74   74   74   74   74   75   75   76   76   76 
LCS_GDT     D    57_A     D    57_A     32   74   78     11   40   59   65   68   69   69   71   72   74   74   74   74   74   74   75   75   76   76   76 
LCS_GDT     E    58_A     E    58_A     32   74   78     10   39   59   65   68   69   69   71   72   74   74   74   74   74   74   75   75   76   76   76 
LCS_GDT     V    59_A     V    59_A     32   74   78      7   40   59   65   68   69   69   71   72   74   74   74   74   74   74   75   75   76   76   76 
LCS_GDT     T    60_A     T    60_A     32   74   78      6   37   59   65   68   69   69   71   72   74   74   74   74   74   74   75   75   76   76   76 
LCS_GDT     I    61_A     I    61_A     32   74   78      9   40   59   65   68   69   69   71   72   74   74   74   74   74   74   75   75   76   76   76 
LCS_GDT     K    62_A     K    62_A     32   74   78     14   40   59   65   68   69   69   71   72   74   74   74   74   74   74   75   75   76   76   76 
LCS_GDT     Y    63_A     Y    63_A     32   74   78     12   40   59   65   68   69   69   71   72   74   74   74   74   74   74   75   75   76   76   76 
LCS_GDT     K    64_A     K    64_A     32   74   78     10   37   59   65   68   69   69   71   72   74   74   74   74   74   74   75   75   76   76   76 
LCS_GDT     A    65_A     A    65_A     32   74   78     13   34   59   65   68   69   69   71   72   74   74   74   74   74   74   75   75   76   76   76 
LCS_GDT     E    66_A     E    66_A     32   74   78     13   40   59   65   68   69   69   71   72   74   74   74   74   74   74   75   75   76   76   76 
LCS_GDT     R    67_A     R    67_A     32   74   78     10   38   59   65   68   69   69   71   72   74   74   74   74   74   74   75   75   76   76   76 
LCS_GDT     G    68_A     G    68_A     32   74   78     11   40   59   65   68   69   69   71   72   74   74   74   74   74   74   75   75   76   76   76 
LCS_GDT     D    69_A     D    69_A     32   74   78      6   40   59   65   68   69   69   71   72   74   74   74   74   74   74   75   75   76   76   76 
LCS_GDT     L    70_A     L    70_A     32   74   78      4   26   58   65   68   69   69   71   72   74   74   74   74   74   74   75   75   76   76   76 
LCS_GDT     I    71_A     I    71_A     32   74   78      7   40   59   65   68   69   69   71   72   74   74   74   74   74   74   75   75   76   76   76 
LCS_GDT     T    72_A     T    72_A     32   74   78     14   40   59   65   68   69   69   71   72   74   74   74   74   74   74   75   75   76   76   76 
LCS_GDT     I    73_A     I    73_A     32   74   78     14   40   59   65   68   69   69   71   72   74   74   74   74   74   74   75   75   76   76   76 
LCS_GDT     F    74_A     F    74_A     32   74   78     13   40   59   65   68   69   69   71   72   74   74   74   74   74   74   75   75   76   76   76 
LCS_GDT     D    75_A     D    75_A     32   74   78     14   40   59   65   68   69   69   71   72   74   74   74   74   74   74   75   75   76   76   76 
LCS_GDT     S    76_A     S    76_A     32   74   78     13   40   59   65   68   69   69   71   72   74   74   74   74   74   74   75   75   76   76   76 
LCS_GDT     S    77_A     S    77_A     32   74   78     13   40   59   65   68   69   69   71   72   74   74   74   74   74   74   75   75   76   76   76 
LCS_GDT     D    78_A     D    78_A     32   74   78     14   40   59   65   68   69   69   71   72   74   74   74   74   74   74   75   75   76   76   76 
LCS_GDT     L    79_A     L    79_A     32   74   78     13   40   59   65   68   69   69   71   72   74   74   74   74   74   74   75   75   76   76   76 
LCS_GDT     S    80_A     S    80_A     32   74   78     13   39   59   65   68   69   69   71   72   74   74   74   74   74   74   75   75   76   76   76 
LCS_GDT     F    81_A     F    81_A     32   74   78     14   40   59   65   68   69   69   71   72   74   74   74   74   74   74   75   75   76   76   76 
LCS_GDT     A    82_A     A    82_A     32   74   78     13   40   59   65   68   69   69   71   72   74   74   74   74   74   74   75   75   76   76   76 
LCS_GDT     I    83_A     I    83_A     32   74   78     13   36   59   65   68   69   69   71   72   74   74   74   74   74   74   75   75   76   76   76 
LCS_GDT     Q    84_A     Q    84_A     32   74   78     13   36   59   64   68   69   69   71   72   74   74   74   74   74   74   75   75   76   76   76 
LCS_GDT     C    85_A     C    85_A     32   74   78     14   40   59   65   68   69   69   71   72   74   74   74   74   74   74   75   75   76   76   76 
LCS_GDT     S    86_A     S    86_A     32   74   78     13   40   59   65   68   69   69   71   72   74   74   74   74   74   74   75   75   76   76   76 
LCS_GDT     R    87_A     R    87_A     32   74   78      5   37   59   65   68   69   69   71   72   74   74   74   74   74   74   75   75   76   76   76 
LCS_GDT     I    88_A     I    88_A      4   74   78      3    4    8   20   34   52   66   71   72   74   74   74   74   74   74   75   75   76   76   76 
LCS_GDT     L    89_A     L    89_A      8   10   78      5    7    8    8    9   10   10   11   12   12   23   39   54   66   74   75   75   76   76   76 
LCS_GDT     K    90_A     K    90_A      8   10   78      5    7    8    8    9   10   10   11   12   12   16   30   36   44   55   63   73   76   76   76 
LCS_GDT     L    91_A     L    91_A      8   10   78      5    7    8    8    9   10   10   11   12   12   13   14   14   16   17   18   19   20   25   33 
LCS_GDT     T    92_A     T    92_A      8   10   78      5    7    8    8    9   10   10   11   12   12   13   14   14   16   17   18   19   20   22   26 
LCS_GDT     L    93_A     L    93_A      8   10   14      5    7    8    8    9   10   10   11   12   12   13   14   14   16   17   18   19   20   22   23 
LCS_GDT     F    94_A     F    94_A      8   10   14      4    7    8    8    9   10   10   11   12   12   13   14   14   16   17   18   19   20   22   23 
LCS_GDT     V    95_A     V    95_A      8   10   14      3    7    8    8    9   10   10   11   12   12   13   14   14   16   17   18   19   20   22   23 
LCS_GDT     N    96_A     N    96_A      8   10   14      4    7    8    8    9   10   10   11   12   12   13   14   14   15   17   18   19   20   22   23 
LCS_GDT     G    97_A     G    97_A      3    5   14      3    3    4    4    4    5    8   11   12   12   13   14   14   16   17   18   19   20   22   23 
LCS_GDT     Q    98_A     Q    98_A      3    5   14      3    3    4    4    4    5    5    5   10   11   12   14   14   16   17   18   19   20   22   23 
LCS_GDT     P    99_A     P    99_A      3    5   14      3    3    4    4    4    5    5    5    5    7    7    7   11   13   15   18   19   20   22   23 
LCS_GDT     R   100_A     R   100_A      3    5    7      3    3    3    4    4    5    5    5    5    7    7    7    8   12   15   18   19   20   22   23 
LCS_GDT     P   101_A     P   101_A      3    4    7      3    3    3    3    3    5    5    5    5    7    7    7    7    8   10   18   19   20   22   23 
LCS_AVERAGE  LCS_A:  59.55  (  23.07   73.72   81.86 )

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     14     40     59     65     68     69     69     71     72     74     74     74     74     74     74     75     75     76     76     76 
GDT PERCENT_AT  16.09  45.98  67.82  74.71  78.16  79.31  79.31  81.61  82.76  85.06  85.06  85.06  85.06  85.06  85.06  86.21  86.21  87.36  87.36  87.36
GDT RMS_LOCAL    0.37   0.71   0.95   1.10   1.17   1.24   1.24   1.46   1.63   1.81   1.81   1.81   1.81   1.81   1.81   2.16   2.16   2.58   2.58   2.58
GDT RMS_ALL_AT  15.68  15.70  15.68  15.67  15.67  15.65  15.65  15.64  15.61  15.61  15.61  15.61  15.61  15.61  15.61  15.58  15.58  15.54  15.54  15.54

# 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    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:  D    57_A      D    57_A
#   possible swapping detected:  E    66_A      E    66_A
#   possible swapping detected:  D    69_A      D    69_A
#   possible swapping detected:  F    74_A      F    74_A
#   possible swapping detected:  D    75_A      D    75_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     4.504     0    0.427   1.022     7.533   35.476   36.402
LGA    L    16_A      L    16_A     2.577     0    0.046   1.424     4.832   67.143   61.071
LGA    I    17_A      I    17_A     1.183     0    0.059   0.060     1.503   79.286   81.488
LGA    I    18_A      I    18_A     1.049     0    0.058   0.152     1.224   81.429   83.690
LGA    K    19_A      K    19_A     0.976     0    0.155   0.642     1.547   83.690   81.481
LGA    A    20_A      A    20_A     1.197     0    0.054   0.062     1.803   88.214   85.143
LGA    Q    21_A      Q    21_A     0.950     0    0.064   1.171     5.105   85.952   72.910
LGA    L    22_A      L    22_A     1.339     0    0.405   1.091     5.872   77.619   60.476
LGA    G    23_A      G    23_A     1.545     0    0.396   0.396     2.657   71.071   71.071
LGA    E    24_A      E    24_A     1.199     0    0.289   0.724     4.199   85.952   66.243
LGA    D    25_A      D    25_A     1.794     0    0.055   0.417     4.445   75.000   62.738
LGA    I    26_A      I    26_A     1.432     0    0.121   0.179     1.832   77.143   78.214
LGA    R    27_A      R    27_A     0.955     0    0.075   1.250     3.179   88.214   77.186
LGA    R    28_A      R    28_A     0.511     0    0.064   0.979     6.624   90.476   62.771
LGA    I    29_A      I    29_A     1.281     0    0.066   0.548     2.138   83.690   79.405
LGA    P    30_A      P    30_A     1.446     0    0.121   0.691     2.172   75.119   76.599
LGA    I    31_A      I    31_A     1.224     0    0.088   0.618     3.242   81.429   74.345
LGA    H    32_A      H    32_A     0.708     0    0.569   1.005     5.787   78.095   59.571
LGA    N    33_A      N    33_A     1.627     0    0.067   1.008     6.624   54.286   41.310
LGA    E    34_A      E    34_A     5.220     0    0.123   0.407    11.541   33.214   16.190
LGA    D    35_A      D    35_A     2.301     0    0.692   1.388     3.715   59.524   58.393
LGA    I    36_A      I    36_A     0.609     0    0.079   0.174     2.544   88.214   78.631
LGA    T    37_A      T    37_A     0.284     0    0.099   0.091     0.561   97.619   97.279
LGA    Y    38_A      Y    38_A     0.912     0    0.082   0.095     2.073   90.476   80.198
LGA    D    39_A      D    39_A     1.149     0    0.063   0.196     2.174   85.952   78.393
LGA    E    40_A      E    40_A     0.910     0    0.042   0.286     1.563   90.476   89.577
LGA    L    41_A      L    41_A     0.820     0    0.046   0.985     2.389   90.476   85.060
LGA    V    42_A      V    42_A     0.675     0    0.053   0.954     2.193   92.857   85.646
LGA    L    43_A      L    43_A     0.603     0    0.052   0.093     0.793   90.476   90.476
LGA    M    44_A      M    44_A     0.748     0    0.028   0.698     3.473   90.476   80.357
LGA    M    45_A      M    45_A     0.738     0    0.024   1.698     6.236   88.214   71.310
LGA    Q    46_A      Q    46_A     1.097     0    0.041   1.419     5.715   83.690   65.661
LGA    R    47_A      R    47_A     0.741     0    0.028   1.729     9.426   90.476   54.286
LGA    V    48_A      V    48_A     0.759     0    0.140   1.213     3.368   90.476   82.177
LGA    F    49_A      F    49_A     1.128     0    0.406   0.924     3.878   73.690   71.732
LGA    R    50_A      R    50_A     1.709     0    0.484   1.222    13.131   73.214   32.597
LGA    G    51_A      G    51_A     3.471     0    0.256   0.256     7.360   39.762   39.762
LGA    K    52_A      K    52_A     6.073     0    0.619   0.952    16.460   30.714   14.180
LGA    L    53_A      L    53_A     2.397     0    0.655   1.519     5.084   46.071   54.524
LGA    L    54_A      L    54_A     5.465     0    0.444   1.399    11.939   39.167   20.893
LGA    S    55_A      S    55_A     2.417     0    0.079   0.073     3.597   70.000   68.254
LGA    N    56_A      N    56_A     2.148     0    0.255   1.237     5.283   77.262   55.833
LGA    D    57_A      D    57_A     0.845     0    0.110   0.192     1.255   90.476   88.214
LGA    E    58_A      E    58_A     1.195     0    0.091   0.627     3.761   81.429   65.820
LGA    V    59_A      V    59_A     0.906     0    0.038   1.095     2.694   90.476   82.041
LGA    T    60_A      T    60_A     1.264     0    0.096   0.214     2.183   81.429   76.599
LGA    I    61_A      I    61_A     0.659     0    0.145   1.205     3.170   95.238   83.393
LGA    K    62_A      K    62_A     0.445     0    0.071   0.163     0.814   95.238   94.709
LGA    Y    63_A      Y    63_A     0.505     0    0.038   1.550     9.036   90.476   56.230
LGA    K    64_A      K    64_A     1.201     0    0.029   0.175     6.024   79.524   59.101
LGA    A    65_A      A    65_A     1.219     0    0.096   0.142     1.878   85.952   83.333
LGA    E    66_A      E    66_A     0.244     0    0.394   0.578     4.828   82.262   65.926
LGA    R    67_A      R    67_A     1.413     0    0.375   1.703    11.639   81.548   42.814
LGA    G    68_A      G    68_A     1.077     0    0.107   0.107     1.248   83.690   83.690
LGA    D    69_A      D    69_A     1.128     0    0.077   1.044     2.756   90.595   79.821
LGA    L    70_A      L    70_A     1.674     0    0.071   0.181     4.082   75.000   61.786
LGA    I    71_A      I    71_A     0.987     0    0.071   0.097     3.000   92.857   78.869
LGA    T    72_A      T    72_A     0.411     0    0.090   0.103     1.012   95.238   91.905
LGA    I    73_A      I    73_A     0.370     0    0.050   0.695     2.719   95.238   91.071
LGA    F    74_A      F    74_A     1.118     0    0.055   0.182     1.935   81.548   77.576
LGA    D    75_A      D    75_A     0.582     0    0.131   0.810     1.857   92.857   87.202
LGA    S    76_A      S    76_A     0.550     0    0.070   0.689     3.389   90.476   83.730
LGA    S    77_A      S    77_A     0.630     0    0.026   0.225     1.576   95.238   90.714
LGA    D    78_A      D    78_A     0.385     0    0.028   0.159     0.596  100.000   97.619
LGA    L    79_A      L    79_A     0.766     0    0.030   1.376     2.733   90.476   80.833
LGA    S    80_A      S    80_A     0.948     0    0.035   0.609     2.694   88.214   81.905
LGA    F    81_A      F    81_A     0.681     0    0.057   0.183     2.551   90.476   78.745
LGA    A    82_A      A    82_A     0.674     0    0.041   0.055     1.004   92.857   90.571
LGA    I    83_A      I    83_A     1.357     0    0.039   0.176     2.734   81.429   74.167
LGA    Q    84_A      Q    84_A     1.533     0    0.044   0.933     5.812   79.286   58.783
LGA    C    85_A      C    85_A     1.002     0    0.216   0.227     1.514   79.286   81.508
LGA    S    86_A      S    86_A     0.911     0    0.089   0.183     1.352   88.214   87.460
LGA    R    87_A      R    87_A     1.070     0    0.547   1.212     4.978   63.333   55.455
LGA    I    88_A      I    88_A     4.909     0    0.596   0.755     7.251   28.929   27.560
LGA    L    89_A      L    89_A    10.475     0    0.341   1.360    14.718    1.190    0.595
LGA    K    90_A      K    90_A    12.830     0    0.066   0.474    14.530    0.000    0.370
LGA    L    91_A      L    91_A    19.063     0    0.079   0.165    21.646    0.000    0.000
LGA    T    92_A      T    92_A    23.045     0    0.064   1.114    25.951    0.000    0.000
LGA    L    93_A      L    93_A    30.551     0    0.119   0.203    32.846    0.000    0.000
LGA    F    94_A      F    94_A    34.955     0    0.088   0.162    37.841    0.000    0.000
LGA    V    95_A      V    95_A    42.231     0    0.074   1.134    44.053    0.000    0.000
LGA    N    96_A      N    96_A    47.444     0    0.448   0.439    48.830    0.000    0.000
LGA    G    97_A      G    97_A    48.544     0    0.655   0.655    48.544    0.000    0.000
LGA    Q    98_A      Q    98_A    49.734     0    0.141   0.999    50.871    0.000    0.000
LGA    P    99_A      P    99_A    49.506     0    0.701   0.661    50.456    0.000    0.000
LGA    R   100_A      R   100_A    53.391     0    0.521   1.475    57.135    0.000    0.000
LGA    P   101_A      P   101_A    59.643     0    0.776   1.030    61.267    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):    13.780         13.863                 13.691           67.842   60.042

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  101   87    4.0     71    1.46    72.126    75.766     4.538

LGA_LOCAL      RMSD:   1.465  Number of atoms:   71  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  15.645  Number of assigned atoms:   87 
Std_ASGN_ATOMS RMSD:  13.780  Standard rmsd on all 87 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.715569 * X  +   0.007443 * Y  +   0.698503 * Z  +  -8.323671
  Y_new =   0.698232 * X  +  -0.022184 * Y  +   0.715528 * Z  +  28.937437
  Z_new =   0.020821 * X  +   0.999726 * Y  +   0.010677 * Z  +  10.996721 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.368456 -0.020823  1.560117   [DEG:  135.7025   -1.1930   89.3881 ]
ZXZ:  2.368234  1.560119  0.020824   [DEG:  135.6898   89.3882    1.1931 ]
 
# END of job
