
#######################################################
#                                                     #
#                        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   83 (  654),  selected   81 , name one
# Molecule2: number of CA atoms   81 (  640),  selected   81 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    28      38_B - 65_B        4.97    25.42
  LCS_AVERAGE:     29.13

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    21      63_B - 83_B        1.92    28.89
  LCS_AVERAGE:     17.63

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    18      66_B - 83_B        0.57    29.65
  LCS_AVERAGE:     14.11

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   81
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     G     3_B     G     3_B      4   12   17      3    4    6   13   17   20   24   26   29   30   31   34   34   35   35   36   38   40   41   43 
LCS_GDT     M     4_B     M     4_B      4   12   17      3    4    4    6   10   20   24   26   29   30   31   34   34   35   35   36   38   40   41   43 
LCS_GDT     E     5_B     E     5_B      4   12   17      3    4    7   13   17   20   24   26   29   30   31   34   34   35   35   36   38   40   41   43 
LCS_GDT     K     6_B     K     6_B      5   12   17      3    5    9   13   17   20   24   26   29   30   31   34   34   35   35   36   38   40   41   43 
LCS_GDT     V     7_B     V     7_B      5   12   17      3    5    9   13   17   20   24   26   29   30   31   34   34   35   35   36   38   40   41   43 
LCS_GDT     T     8_B     T     8_B      5   12   17      3    5    9   13   17   20   24   26   29   30   31   34   34   35   35   36   38   40   41   43 
LCS_GDT     V     9_B     V     9_B      6   12   17      4    7    7   10   17   20   24   26   29   30   31   34   34   35   35   36   38   40   41   43 
LCS_GDT     V    10_B     V    10_B      6   12   17      4    7    9   13   17   20   24   26   29   30   31   34   34   35   35   36   38   40   41   43 
LCS_GDT     L    11_B     L    11_B      6   12   17      4    7    9   13   17   20   24   26   29   30   31   34   34   35   35   36   38   40   41   43 
LCS_GDT     Y    12_B     Y    12_B      6   12   17      4    7    9   13   17   20   24   26   29   30   31   34   34   35   35   36   38   40   41   43 
LCS_GDT     V    13_B     V    13_B      6   12   17      4    7    7   13   17   20   24   26   29   30   31   34   34   35   35   36   38   40   41   43 
LCS_GDT     N    14_B     N    14_B      6   12   17      4    7    7    9   15   20   24   26   29   30   31   34   34   35   35   36   38   40   41   43 
LCS_GDT     G    15_B     G    15_B      4    6   17      3    3    4    5    6    8   15   18   23   26   28   30   32   34   35   36   38   40   41   43 
LCS_GDT     D    16_B     D    16_B      4    6   17      3    3    4    5    6   12   14   17   20   20   22   23   24   27   32   34   36   40   41   43 
LCS_GDT     E    17_B     E    17_B      4    6   17      3    3    4    5    6    7    8    8   10   12   13   14   16   19   23   30   35   36   37   40 
LCS_GDT     V    18_B     V    18_B      4    6   20      3    3    4    5    6    7    9   13   16   19   21   23   24   26   26   27   28   30   37   40 
LCS_GDT     A    19_B     A    19_B      3    3   21      3    3    4    5    5    5    6   10   20   20   22   23   24   26   26   28   29   30   33   40 
LCS_GDT     L    20_B     L    20_B      3    5   21      3    3    4    5    6    9   12   13   16   17   17   17   19   24   29   31   35   39   39   42 
LCS_GDT     V    21_B     V    21_B      4    5   21      0    3    4    4    9   10   11   14   16   17   17   17   19   20   21   24   25   32   36   40 
LCS_GDT     H    22_B     H    22_B      4   14   21      3    3    4    8    9   12   13   15   16   17   17   17   19   21   26   28   29   30   33   40 
LCS_GDT     A    23_B     A    23_B     13   14   21      6   13   13   13   13   13   13   15   16   17   17   17   21   24   32   34   36   40   41   43 
LCS_GDT     F    24_B     F    24_B     13   14   21      6   13   13   13   13   13   13   15   16   17   19   25   28   30   35   36   38   40   41   43 
LCS_GDT     M    25_B     M    25_B     13   14   21      6   13   13   13   13   13   13   16   20   22   24   25   29   30   35   36   38   40   41   43 
LCS_GDT     T    26_B     T    26_B     13   14   21      8   13   13   13   17   20   24   26   29   30   31   34   34   35   35   36   38   40   41   43 
LCS_GDT     T    27_B     T    27_B     13   14   21      8   13   13   13   17   20   24   26   29   30   31   34   34   35   35   36   38   40   41   43 
LCS_GDT     A    28_B     A    28_B     13   14   21      8   13   13   13   13   13   13   15   16   17   18   24   31   34   35   35   38   40   41   43 
LCS_GDT     S    29_B     S    29_B     13   14   21      8   13   13   13   13   13   13   15   16   17   17   24   30   34   35   35   38   40   41   43 
LCS_GDT     L    30_B     L    30_B     13   14   21      8   13   13   13   13   13   13   15   16   17   17   18   29   34   35   35   38   40   41   42 
LCS_GDT     L    31_B     L    31_B     13   14   21      8   13   13   13   13   13   13   15   16   17   17   17   19   20   21   22   30   35   41   41 
LCS_GDT     A    32_B     A    32_B     13   14   21      8   13   13   13   13   13   13   15   16   17   17   17   19   20   21   22   24   26   30   32 
LCS_GDT     K    33_B     K    33_B     13   14   21      8   13   13   13   13   13   13   15   16   17   17   17   19   20   21   22   24   26   30   32 
LCS_GDT     E    34_B     E    34_B     13   14   21      8   13   13   13   13   13   13   15   16   17   17   17   19   20   21   22   23   24   26   29 
LCS_GDT     G    35_B     G    35_B     13   14   21      7   13   13   13   13   13   13   15   16   17   17   17   18   20   21   21   23   23   25   27 
LCS_GDT     K    36_B     K    36_B      3    4   21      3    3    3    4    7    9   12   15   16   17   17   17   19   20   22   24   26   28   30   32 
LCS_GDT     L    37_B     L    37_B      3    4   21      3    3    3    3    5    6    8   11   13   14   16   17   23   24   27   28   29   29   30   32 
LCS_GDT     V    38_B     V    38_B      3    4   28      3    3    4    4    4    5    7   11   13   14   16   17   20   24   27   28   29   29   30   32 
LCS_GDT     E    39_B     E    39_B      3    4   28      3    3    4    4    4    5    7   10   13   14   16   17   20   22   25   28   29   29   30   32 
LCS_GDT     K    40_B     K    40_B      5    5   28      3    5    5    5    7    8   10   14   17   19   22   25   26   26   27   28   29   29   30   32 
LCS_GDT     L    41_B     L    41_B      5    5   28      3    5    5    5    7   12   13   15   18   20   22   25   26   26   27   28   29   29   30   32 
LCS_GDT     I    42_B     I    42_B      5    5   28      3    5    5    5    7   12   13   15   18   20   22   25   26   26   27   28   29   29   30   32 
LCS_GDT     L    43_B     L    43_B      5    5   28      3    5    5    6    8   12   13   15   18   20   22   25   26   26   27   28   29   29   30   32 
LCS_GDT     T    44_B     T    44_B      5    5   28      3    5    5    6    8   12   13   15   18   20   22   25   26   26   27   28   29   29   30   32 
LCS_GDT     S    45_B     S    45_B      3    5   28      3    3    3    4    8   12   13   15   18   20   22   25   26   26   27   28   31   38   41   41 
LCS_GDT     N    46_B     N    46_B      3    5   28      3    3    3    6    8   12   13   15   18   20   22   30   32   34   35   35   38   40   41   42 
LCS_GDT     F    47_B     F    47_B      3   18   28      3    3    4    6    8   12   16   26   29   30   31   34   34   35   35   36   38   40   41   43 
LCS_GDT     T    48_B     T    48_B     17   18   28     12   16   16   17   17   20   24   26   29   30   31   34   34   35   35   36   38   40   41   43 
LCS_GDT     E    49_B     E    49_B     17   18   28     14   16   16   17   17   17   17   18   22   30   31   34   34   35   35   36   38   40   41   43 
LCS_GDT     R    50_B     R    50_B     17   18   28     14   16   16   17   17   17   17   19   22   30   31   34   34   35   35   36   38   40   41   43 
LCS_GDT     T    51_B     T    51_B     17   18   28     14   16   16   17   17   20   24   26   29   30   31   34   34   35   35   36   38   40   41   43 
LCS_GDT     V    52_B     V    52_B     17   18   28     14   16   16   17   17   20   24   26   29   30   31   34   34   35   35   36   38   40   41   43 
LCS_GDT     R    53_B     R    53_B     17   18   28     14   16   16   17   17   17   18   26   29   30   31   34   34   35   35   36   38   40   41   43 
LCS_GDT     R    54_B     R    54_B     17   18   28     14   16   16   17   17   18   22   26   29   30   31   34   34   35   35   36   38   40   41   43 
LCS_GDT     A    55_B     A    55_B     17   18   28     14   16   16   17   17   20   24   26   29   30   31   34   34   35   35   36   38   40   41   43 
LCS_GDT     F    56_B     F    56_B     17   18   28     14   16   16   17   17   18   24   26   29   30   31   34   34   35   35   36   38   40   41   43 
LCS_GDT     D    57_B     D    57_B     17   18   28     14   16   16   17   17   20   24   26   29   30   31   34   34   35   35   36   38   40   41   43 
LCS_GDT     L    58_B     L    58_B     17   18   28     14   16   16   17   17   20   24   26   29   30   31   34   34   35   35   36   38   40   41   43 
LCS_GDT     V    59_B     V    59_B     17   18   28     14   16   16   17   17   17   17   22   29   29   31   34   34   35   35   36   38   40   41   43 
LCS_GDT     R    60_B     R    60_B     17   18   28     14   16   16   17   17   20   24   26   29   30   31   34   34   35   35   36   38   40   41   43 
LCS_GDT     E    61_B     E    61_B     17   18   28     14   16   16   17   17   20   24   26   29   30   31   34   34   35   35   36   38   40   41   43 
LCS_GDT     L    62_B     L    62_B     17   18   28     14   16   16   17   17   17   17   18   20   28   28   34   34   35   35   36   38   40   41   43 
LCS_GDT     L    63_B     L    63_B     17   21   28      5   16   16   17   17   17   21   21   21   21   30   34   34   35   35   36   38   40   41   43 
LCS_GDT     P    64_B     P    64_B     17   21   28      5   11   14   17   17   19   24   26   29   30   31   34   34   35   35   36   38   40   41   43 
LCS_GDT     A    65_B     A    65_B      5   21   28      5    5    5    9   16   20   24   26   29   30   31   34   34   35   35   36   38   40   41   43 
LCS_GDT     K    66_B     K    66_B     18   21   27     12   17   18   18   18   19   21   21   21   26   31   34   34   35   35   36   38   40   41   43 
LCS_GDT     A    67_B     A    67_B     18   21   26     12   17   18   18   18   19   21   21   21   21   22   23   24   35   35   36   38   40   41   43 
LCS_GDT     E    68_B     E    68_B     18   21   25     10   17   18   18   18   19   21   21   21   21   22   22   22   24   26   31   36   39   41   43 
LCS_GDT     I    69_B     I    69_B     18   21   25     12   17   18   18   18   19   21   21   21   21   22   22   22   23   24   26   27   28   32   36 
LCS_GDT     I    70_B     I    70_B     18   21   25     12   17   18   18   18   19   21   21   21   21   22   22   22   23   23   24   25   26   29   31 
LCS_GDT     D    71_B     D    71_B     18   21   25     12   17   18   18   18   19   21   21   21   21   22   22   22   23   23   24   25   25   26   29 
LCS_GDT     A    72_B     A    72_B     18   21   25     12   17   18   18   18   19   21   21   21   21   22   22   22   23   23   24   25   25   25   27 
LCS_GDT     L    73_B     L    73_B     18   21   25     12   17   18   18   18   19   21   21   21   21   22   22   22   23   23   24   25   25   25   27 
LCS_GDT     R    74_B     R    74_B     18   21   25     12   17   18   18   18   19   21   21   21   21   22   22   22   23   23   24   25   25   25   27 
LCS_GDT     E    75_B     E    75_B     18   21   25     12   17   18   18   18   19   21   21   21   21   22   22   22   23   23   24   25   25   25   27 
LCS_GDT     E    76_B     E    76_B     18   21   25     12   17   18   18   18   19   21   21   21   21   22   22   22   23   23   24   25   25   25   27 
LCS_GDT     A    77_B     A    77_B     18   21   25     12   17   18   18   18   19   21   21   21   21   22   22   22   23   23   24   25   25   25   27 
LCS_GDT     E    78_B     E    78_B     18   21   25     12   17   18   18   18   19   21   21   21   21   22   22   22   23   23   24   25   25   25   27 
LCS_GDT     K    79_B     K    79_B     18   21   25     11   17   18   18   18   19   21   21   21   21   22   22   22   23   23   24   25   25   25   27 
LCS_GDT     Y    80_B     Y    80_B     18   21   25     10   17   18   18   18   19   21   21   21   21   22   22   22   23   23   24   25   25   25   27 
LCS_GDT     F    81_B     F    81_B     18   21   25     10   17   18   18   18   19   21   21   21   21   22   22   22   23   23   24   25   25   25   27 
LCS_GDT     A    82_B     A    82_B     18   21   25     10   17   18   18   18   19   21   21   21   21   22   22   22   23   23   24   25   25   25   27 
LCS_GDT     E    83_B     E    83_B     18   21   25      3   14   18   18   18   18   21   21   21   21   22   22   22   23   23   24   25   25   25   27 
LCS_AVERAGE  LCS_A:  20.29  (  14.11   17.63   29.13 )

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     17     18     18     18     20     24     26     29     30     31     34     34     35     35     36     38     40     41     43 
GDT PERCENT_AT  17.28  20.99  22.22  22.22  22.22  24.69  29.63  32.10  35.80  37.04  38.27  41.98  41.98  43.21  43.21  44.44  46.91  49.38  50.62  53.09
GDT RMS_LOCAL    0.32   0.49   0.57   0.57   0.57   2.08   2.42   2.58   2.91   3.08   3.17   3.52   3.52   3.71   3.78   3.94   4.49   4.91   5.08   5.53
GDT RMS_ALL_AT  24.31  29.58  29.65  29.65  29.65  18.93  19.01  19.06  19.09  19.07  19.13  19.33  19.33  19.25  19.28  19.21  19.31  19.07  19.27  19.05

# Checking swapping
#   possible swapping detected:  E     5_B      E     5_B
#   possible swapping detected:  D    16_B      D    16_B
#   possible swapping detected:  E    17_B      E    17_B
#   possible swapping detected:  F    24_B      F    24_B
#   possible swapping detected:  F    47_B      F    47_B
#   possible swapping detected:  F    56_B      F    56_B
#   possible swapping detected:  E    68_B      E    68_B
#   possible swapping detected:  D    71_B      D    71_B
#   possible swapping detected:  E    78_B      E    78_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     3_B      G     3_B     1.820     0    0.581   0.581     3.989   63.452   63.452
LGA    M     4_B      M     4_B     3.289     0    0.069   1.017     9.471   61.190   36.310
LGA    E     5_B      E     5_B     2.347     0    0.355   1.115    10.199   59.405   32.646
LGA    K     6_B      K     6_B     1.805     0    0.467   0.546     3.687   65.476   61.746
LGA    V     7_B      V     7_B     0.866     0    0.085   1.160     4.106   79.524   72.789
LGA    T     8_B      T     8_B     1.146     0    0.105   0.144     3.232   81.548   72.245
LGA    V     9_B      V     9_B     2.831     0    0.170   1.202     5.811   66.905   52.789
LGA    V    10_B      V    10_B     1.861     0    0.048   0.071     3.085   63.095   67.279
LGA    L    11_B      L    11_B     2.056     0    0.150   1.104     5.956   70.833   53.393
LGA    Y    12_B      Y    12_B     0.829     0    0.124   1.327     7.955   83.690   57.857
LGA    V    13_B      V    13_B     1.954     0    0.138   0.235     2.907   70.952   66.122
LGA    N    14_B      N    14_B     2.936     0    0.549   0.447     9.410   44.048   28.690
LGA    G    15_B      G    15_B     7.503     0    0.629   0.629     9.641    8.810    8.810
LGA    D    16_B      D    16_B    11.616     0    0.209   1.049    14.545    0.119    0.060
LGA    E    17_B      E    17_B    15.128     0    0.679   0.917    23.074    0.000    0.000
LGA    V    18_B      V    18_B    16.314     0    0.644   1.187    16.360    0.000    0.000
LGA    A    19_B      A    19_B    16.204     0    0.678   0.609    17.715    0.000    0.000
LGA    L    20_B      L    20_B    12.385     0    0.585   1.491    14.143    0.000    1.786
LGA    V    21_B      V    21_B    14.871     0    0.603   1.316    19.197    0.000    0.000
LGA    H    22_B      H    22_B    14.875     0    0.495   1.487    19.252    0.000    0.000
LGA    A    23_B      A    23_B    10.259     0    0.661   0.630    11.599    5.476    4.381
LGA    F    24_B      F    24_B     9.313     0    0.068   1.178    16.439    2.857    1.039
LGA    M    25_B      M    25_B     9.801     0    0.029   1.484    15.351    5.238    2.619
LGA    T    26_B      T    26_B     2.864     0    0.045   0.175     5.625   52.143   49.592
LGA    T    27_B      T    27_B     1.636     0    0.023   0.119     6.218   48.571   60.340
LGA    A    28_B      A    28_B     8.915     0    0.052   0.053    12.123    5.000    4.000
LGA    S    29_B      S    29_B    10.635     0    0.034   0.671    13.029    0.357    1.111
LGA    L    30_B      L    30_B    10.206     0    0.013   1.182    14.708    0.714    0.714
LGA    L    31_B      L    31_B    13.838     0    0.105   1.096    18.280    0.000    0.000
LGA    A    32_B      A    32_B    18.436     0    0.024   0.028    22.343    0.000    0.000
LGA    K    33_B      K    33_B    20.122     0    0.029   0.627    24.082    0.000    0.000
LGA    E    34_B      E    34_B    22.364     0    0.141   0.294    26.231    0.000    0.000
LGA    G    35_B      G    35_B    25.005     0    0.437   0.437    28.702    0.000    0.000
LGA    K    36_B      K    36_B    26.906     0    0.595   0.567    27.558    0.000    0.000
LGA    L    37_B      L    37_B    27.857     0    0.582   0.548    30.250    0.000    0.000
LGA    V    38_B      V    38_B    25.787     0    0.628   0.621    28.246    0.000    0.000
LGA    E    39_B      E    39_B    28.975     0    0.034   1.071    32.768    0.000    0.000
LGA    K    40_B      K    40_B    29.440     0    0.622   0.832    30.778    0.000    0.000
LGA    L    41_B      L    41_B    26.465     0    0.635   0.842    27.406    0.000    0.000
LGA    I    42_B      I    42_B    24.688     0    0.331   0.399    29.873    0.000    0.000
LGA    L    43_B      L    43_B    21.423     0    0.623   1.060    23.074    0.000    0.000
LGA    T    44_B      T    44_B    21.602     0    0.381   0.405    24.003    0.000    0.000
LGA    S    45_B      S    45_B    16.792     0    0.556   0.834    18.384    0.000    0.000
LGA    N    46_B      N    46_B    10.868     0    0.349   1.153    15.099    2.976    1.488
LGA    F    47_B      F    47_B     5.195     0    0.631   1.509     7.336   24.881   33.593
LGA    T    48_B      T    48_B     2.279     0    0.590   1.449     3.586   52.024   57.959
LGA    E    49_B      E    49_B     6.764     0    0.045   1.374     9.205   18.333   11.429
LGA    R    50_B      R    50_B     6.445     0    0.032   1.043    16.428   24.286    9.481
LGA    T    51_B      T    51_B     2.133     0    0.037   1.173     3.471   73.929   66.803
LGA    V    52_B      V    52_B     3.198     0    0.036   0.117     6.714   55.714   40.544
LGA    R    53_B      R    53_B     5.265     0    0.054   1.132    15.608   35.952   14.242
LGA    R    54_B      R    54_B     4.010     0    0.018   1.606    13.182   48.690   22.251
LGA    A    55_B      A    55_B     2.443     0    0.050   0.058     3.639   67.024   62.286
LGA    F    56_B      F    56_B     3.451     0    0.073   1.196    12.795   59.167   24.848
LGA    D    57_B      D    57_B     2.648     0    0.032   0.401     6.732   66.905   45.714
LGA    L    58_B      L    58_B     3.456     0    0.054   0.786     9.466   52.500   30.655
LGA    V    59_B      V    59_B     4.745     0    0.042   0.276     8.277   39.048   27.891
LGA    R    60_B      R    60_B     2.891     0    0.048   1.364     8.968   62.976   32.338
LGA    E    61_B      E    61_B     1.819     0    0.049   1.153     5.039   66.548   52.487
LGA    L    62_B      L    62_B     6.254     0    0.017   0.152    10.011   19.405   11.012
LGA    L    63_B      L    63_B     7.407     0    0.541   1.206    13.121   14.405    7.381
LGA    P    64_B      P    64_B     3.791     0    0.093   0.688     6.074   38.810   39.932
LGA    A    65_B      A    65_B     3.029     0    0.128   0.139     4.697   42.143   43.714
LGA    K    66_B      K    66_B     6.339     0    0.290   0.808    11.387   14.286    8.413
LGA    A    67_B      A    67_B     8.093     0    0.030   0.033    11.606    4.643    6.381
LGA    E    68_B      E    68_B    11.589     0    0.025   0.847    14.902    0.119    0.053
LGA    I    69_B      I    69_B    13.311     0    0.059   0.187    17.073    0.000    0.357
LGA    I    70_B      I    70_B    15.894     0    0.042   0.672    19.982    0.000    0.000
LGA    D    71_B      D    71_B    19.009     0    0.035   1.139    23.133    0.000    0.000
LGA    A    72_B      A    72_B    22.004     0    0.014   0.017    25.769    0.000    0.000
LGA    L    73_B      L    73_B    24.181     0    0.075   0.104    28.131    0.000    0.000
LGA    R    74_B      R    74_B    26.302     0    0.034   1.339    30.333    0.000    0.000
LGA    E    75_B      E    75_B    29.910     0    0.075   1.190    34.032    0.000    0.000
LGA    E    76_B      E    76_B    32.897     0    0.075   1.206    36.714    0.000    0.000
LGA    A    77_B      A    77_B    34.953     0    0.044   0.041    38.967    0.000    0.000
LGA    E    78_B      E    78_B    37.539     0    0.079   1.120    41.637    0.000    0.000
LGA    K    79_B      K    79_B    41.273     0    0.055   0.694    45.190    0.000    0.000
LGA    Y    80_B      Y    80_B    43.393     0    0.059   1.583    47.646    0.000    0.000
LGA    F    81_B      F    81_B    46.229     0    0.067   1.243    49.380    0.000    0.000
LGA    A    82_B      A    82_B    48.780     0    0.101   0.119    53.119    0.000    0.000
LGA    E    83_B      E    83_B    52.736     0    0.209   0.880    53.372    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       81     324    324  100.00     640    640  100.00                81
SUMMARY(RMSD_GDC):    16.558         16.674                 17.319           22.521   17.914

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   83   81    4.0     26    2.58    29.938    27.400     0.971

LGA_LOCAL      RMSD:   2.578  Number of atoms:   26  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  19.056  Number of assigned atoms:   81 
Std_ASGN_ATOMS RMSD:  16.558  Standard rmsd on all 81 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.721307 * X  +  -0.314914 * Y  +  -0.616884 * Z  +  33.387379
  Y_new =  -0.521163 * X  +   0.833400 * Y  +   0.183939 * Z  +  11.579527
  Z_new =   0.456186 * X  +   0.454173 * Y  +  -0.765259 * Z  +  -8.492822 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.515908 -0.473705  2.605974   [DEG: -144.1509  -27.1413  149.3113 ]
ZXZ: -1.860577  2.442239  0.787609   [DEG: -106.6032  139.9300   45.1267 ]
 
# END of job
