
#######################################################
#                                                     #
#                        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   87 (  702),  selected   82 , name one
# Molecule2: number of CA atoms   87 (  706),  selected   82 , 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        4.80    10.26
  LCS_AVERAGE:     86.07

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    38      15_A - 52_A        1.61    10.71
  LCS_AVERAGE:     38.59

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    32      15_A - 46_A        0.97    10.74
  LONGEST_CONTINUOUS_SEGMENT:    32      16_A - 47_A        1.00    10.78
  LCS_AVERAGE:     29.07

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   82
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   38   78      5   25   48   62   64   66   67   68   70   71   71   72   73   73   74   74   74   74   74   75 
LCS_GDT     L    16_A     L    16_A     32   38   78      8   44   55   62   64   66   67   68   70   71   71   72   73   73   74   74   74   74   74   75 
LCS_GDT     I    17_A     I    17_A     32   38   78     21   44   55   62   64   66   67   68   70   71   71   72   73   73   74   74   74   74   74   75 
LCS_GDT     I    18_A     I    18_A     32   38   78     21   44   55   62   64   66   67   68   70   71   71   72   73   73   74   74   74   74   74   75 
LCS_GDT     K    19_A     K    19_A     32   38   78     21   44   55   62   64   66   67   68   70   71   71   72   73   73   74   74   74   74   74   75 
LCS_GDT     A    20_A     A    20_A     32   38   78     21   44   55   62   64   66   67   68   70   71   71   72   73   73   74   74   74   74   74   75 
LCS_GDT     Q    21_A     Q    21_A     32   38   78     21   44   55   62   64   66   67   68   70   71   71   72   73   73   74   74   74   74   74   75 
LCS_GDT     L    22_A     L    22_A     32   38   78     18   44   55   62   64   66   67   68   70   71   71   72   73   73   74   74   74   74   74   75 
LCS_GDT     G    23_A     G    23_A     32   38   78     21   44   55   62   64   66   67   68   70   71   71   72   73   73   74   74   74   74   74   75 
LCS_GDT     E    24_A     E    24_A     32   38   78     21   44   55   62   64   66   67   68   70   71   71   72   73   73   74   74   74   74   74   75 
LCS_GDT     D    25_A     D    25_A     32   38   78     21   44   55   62   64   66   67   68   70   71   71   72   73   73   74   74   74   74   74   75 
LCS_GDT     I    26_A     I    26_A     32   38   78     21   44   55   62   64   66   67   68   70   71   71   72   73   73   74   74   74   74   74   75 
LCS_GDT     R    27_A     R    27_A     32   38   78     21   44   55   62   64   66   67   68   70   71   71   72   73   73   74   74   74   74   74   75 
LCS_GDT     R    28_A     R    28_A     32   38   78      6   44   55   62   64   66   67   68   70   71   71   72   73   73   74   74   74   74   74   75 
LCS_GDT     I    29_A     I    29_A     32   38   78     12   44   55   62   64   66   67   68   70   71   71   72   73   73   74   74   74   74   74   75 
LCS_GDT     P    30_A     P    30_A     32   38   78     12   44   55   62   64   66   67   68   70   71   71   72   73   73   74   74   74   74   74   75 
LCS_GDT     I    31_A     I    31_A     32   38   78      4   44   55   62   64   66   67   68   70   71   71   72   73   73   74   74   74   74   74   75 
LCS_GDT     H    32_A     H    32_A     32   38   78     21   44   55   62   64   66   67   68   70   71   71   72   73   73   74   74   74   74   74   75 
LCS_GDT     N    33_A     N    33_A     32   38   78     12   44   55   62   64   66   67   68   70   71   71   72   73   73   74   74   74   74   74   75 
LCS_GDT     E    34_A     E    34_A     32   38   78     13   19   55   62   64   66   67   68   70   71   71   72   73   73   74   74   74   74   74   75 
LCS_GDT     D    35_A     D    35_A     32   38   78      5   15   43   62   64   66   67   68   70   71   71   72   73   73   74   74   74   74   74   75 
LCS_GDT     I    36_A     I    36_A     32   38   78      5   15   50   62   64   66   67   68   70   71   71   72   73   73   74   74   74   74   74   75 
LCS_GDT     T    37_A     T    37_A     32   38   78     14   44   55   62   64   66   67   68   70   71   71   72   73   73   74   74   74   74   74   75 
LCS_GDT     Y    38_A     Y    38_A     32   38   78      8   41   55   62   64   66   67   68   70   71   71   72   73   73   74   74   74   74   74   75 
LCS_GDT     D    39_A     D    39_A     32   38   78     21   44   55   62   64   66   67   68   70   71   71   72   73   73   74   74   74   74   74   75 
LCS_GDT     E    40_A     E    40_A     32   38   78     21   44   55   62   64   66   67   68   70   71   71   72   73   73   74   74   74   74   74   75 
LCS_GDT     L    41_A     L    41_A     32   38   78     21   44   55   62   64   66   67   68   70   71   71   72   73   73   74   74   74   74   74   75 
LCS_GDT     V    42_A     V    42_A     32   38   78      8   38   55   62   64   66   67   68   70   71   71   72   73   73   74   74   74   74   74   75 
LCS_GDT     L    43_A     L    43_A     32   38   78      8   35   54   62   64   66   67   68   70   71   71   72   73   73   74   74   74   74   74   75 
LCS_GDT     M    44_A     M    44_A     32   38   78     12   42   55   62   64   66   67   68   70   71   71   72   73   73   74   74   74   74   74   75 
LCS_GDT     M    45_A     M    45_A     32   38   78     15   44   55   62   64   66   67   68   70   71   71   72   73   73   74   74   74   74   74   75 
LCS_GDT     Q    46_A     Q    46_A     32   38   78      8   26   49   62   64   66   67   68   70   71   71   72   73   73   74   74   74   74   74   75 
LCS_GDT     R    47_A     R    47_A     32   38   78      8   17   43   62   64   66   67   68   70   71   71   72   73   73   74   74   74   74   74   75 
LCS_GDT     V    48_A     V    48_A     17   38   78      7   32   54   62   64   66   67   68   70   71   71   72   73   73   74   74   74   74   74   75 
LCS_GDT     F    49_A     F    49_A     17   38   78      9   42   55   62   64   66   67   68   70   71   71   72   73   73   74   74   74   74   74   75 
LCS_GDT     R    50_A     R    50_A     17   38   78      3    3   20   48   64   66   67   68   70   71   71   72   73   73   74   74   74   74   74   75 
LCS_GDT     G    51_A     G    51_A     17   38   78      3    3   20   35   58   66   66   68   70   71   71   72   73   73   74   74   74   74   74   75 
LCS_GDT     K    52_A     K    52_A      3   38   78      3    3    4    5    5    8   49   68   70   71   71   72   73   73   74   74   74   74   74   75 
LCS_GDT     L    53_A     L    53_A      4   34   78      3    4    4    5    5    5    7   12   14   19   31   72   73   73   74   74   74   74   74   75 
LCS_GDT     L    54_A     L    54_A      4   34   78      3    4    4   54   61   65   67   68   70   71   71   72   73   73   74   74   74   74   74   75 
LCS_GDT     S    55_A     S    55_A      4   34   78      3    4   15   43   59   62   66   68   69   71   71   72   73   73   74   74   74   74   74   75 
LCS_GDT     N    56_A     N    56_A      4   34   78      3    4    4    4    5    6   11   23   59   68   70   72   73   73   74   74   74   74   74   75 
LCS_GDT     D    57_A     D    57_A     28   34   78      3   19   41   58   63   66   67   68   70   71   71   72   73   73   74   74   74   74   74   75 
LCS_GDT     E    58_A     E    58_A     28   34   78     12   42   55   62   64   66   67   68   70   71   71   72   73   73   74   74   74   74   74   75 
LCS_GDT     V    59_A     V    59_A     28   34   78      4   44   55   62   64   66   67   68   70   71   71   72   73   73   74   74   74   74   74   75 
LCS_GDT     T    60_A     T    60_A     28   34   78     21   44   55   62   64   66   67   68   70   71   71   72   73   73   74   74   74   74   74   75 
LCS_GDT     I    61_A     I    61_A     28   34   78      7   31   55   62   64   66   67   68   70   71   71   72   73   73   74   74   74   74   74   75 
LCS_GDT     K    62_A     K    62_A     28   34   78      8   44   55   62   64   66   67   68   70   71   71   72   73   73   74   74   74   74   74   75 
LCS_GDT     Y    63_A     Y    63_A     28   34   78     14   44   55   62   64   66   67   68   70   71   71   72   73   73   74   74   74   74   74   75 
LCS_GDT     K    64_A     K    64_A     28   34   78     21   44   55   62   64   66   67   68   70   71   71   72   73   73   74   74   74   74   74   75 
LCS_GDT     A    65_A     A    65_A     28   34   78     16   44   55   62   64   66   67   68   70   71   71   72   73   73   74   74   74   74   74   75 
LCS_GDT     E    66_A     E    66_A     28   34   78     14   44   55   62   64   66   67   68   70   71   71   72   73   73   74   74   74   74   74   75 
LCS_GDT     R    67_A     R    67_A     28   34   78      4    7   46   59   63   66   67   68   70   71   71   72   73   73   74   74   74   74   74   75 
LCS_GDT     G    68_A     G    68_A     28   34   78     11   44   55   62   64   66   67   68   70   71   71   72   73   73   74   74   74   74   74   75 
LCS_GDT     D    69_A     D    69_A     28   34   78     16   44   55   62   64   66   67   68   70   71   71   72   73   73   74   74   74   74   74   75 
LCS_GDT     L    70_A     L    70_A     28   34   78     16   44   55   62   64   66   67   68   70   71   71   72   73   73   74   74   74   74   74   75 
LCS_GDT     I    71_A     I    71_A     28   34   78      9   40   55   62   64   66   67   68   70   71   71   72   73   73   74   74   74   74   74   75 
LCS_GDT     T    72_A     T    72_A     28   34   78     13   38   55   62   64   66   67   68   70   71   71   72   73   73   74   74   74   74   74   75 
LCS_GDT     I    73_A     I    73_A     28   34   78     13   44   55   62   64   66   67   68   70   71   71   72   73   73   74   74   74   74   74   75 
LCS_GDT     F    74_A     F    74_A     28   34   78     16   44   55   62   64   66   67   68   70   71   71   72   73   73   74   74   74   74   74   75 
LCS_GDT     D    75_A     D    75_A     28   34   78     21   44   55   62   64   66   67   68   70   71   71   72   73   73   74   74   74   74   74   75 
LCS_GDT     S    76_A     S    76_A     28   34   78     14   44   55   62   64   66   67   68   70   71   71   72   73   73   74   74   74   74   74   75 
LCS_GDT     S    77_A     S    77_A     28   34   78     21   44   55   62   64   66   67   68   70   71   71   72   73   73   74   74   74   74   74   75 
LCS_GDT     D    78_A     D    78_A     28   34   78     21   44   55   62   64   66   67   68   70   71   71   72   73   73   74   74   74   74   74   75 
LCS_GDT     L    79_A     L    79_A     28   34   78     21   44   55   62   64   66   67   68   70   71   71   72   73   73   74   74   74   74   74   75 
LCS_GDT     S    80_A     S    80_A     28   34   78     21   44   55   62   64   66   67   68   70   71   71   72   73   73   74   74   74   74   74   75 
LCS_GDT     F    81_A     F    81_A     28   34   78     14   44   55   62   64   66   67   68   70   71   71   72   73   73   74   74   74   74   74   75 
LCS_GDT     A    82_A     A    82_A     28   34   78     13   44   55   62   64   66   67   68   70   71   71   72   73   73   74   74   74   74   74   75 
LCS_GDT     I    83_A     I    83_A     28   34   78     16   44   55   62   64   66   67   68   70   71   71   72   73   73   74   74   74   74   74   75 
LCS_GDT     Q    84_A     Q    84_A     28   34   78     21   44   55   62   64   66   67   68   70   71   71   72   73   73   74   74   74   74   74   75 
LCS_GDT     C    85_A     C    85_A     28   34   78     10   35   55   62   64   66   67   68   70   71   71   72   73   73   74   74   74   74   74   75 
LCS_GDT     S    86_A     S    86_A     19   34   78      3   19   48   62   64   66   67   68   70   71   71   72   73   73   74   74   74   74   74   75 
LCS_GDT     R    87_A     R    87_A     10   34   78      3    6   15   21   39   64   67   68   70   71   71   72   73   73   74   74   74   74   74   75 
LCS_GDT     I    88_A     I    88_A     10   31   78      5    8    9   10   11   16   23   30   42   61   68   71   72   73   74   74   74   74   74   75 
LCS_GDT     L    89_A     L    89_A     10   11   78      5    8    9   10   10   10   11   11   13   15   19   26   34   47   59   72   73   74   74   75 
LCS_GDT     K    90_A     K    90_A     10   11   78      5    8    9   10   10   10   11   11   13   15   19   24   29   36   47   55   63   71   74   75 
LCS_GDT     L    91_A     L    91_A     10   11   78      5    8    9   10   10   10   11   11   13   14   14   15   16   17   20   21   23   27   28   32 
LCS_GDT     T    92_A     T    92_A     10   11   78      5    8    9   10   10   10   11   11   13   14   14   15   16   17   20   21   23   24   27   31 
LCS_GDT     L    93_A     L    93_A     10   11   14      5    8    9   10   10   10   11   11   13   14   14   15   16   17   19   19   23   24   24   26 
LCS_GDT     F    94_A     F    94_A     10   11   14      5    8    9   10   10   10   11   11   13   14   14   15   16   17   19   19   20   23   24   26 
LCS_GDT     V    95_A     V    95_A     10   11   14      5    8    9   10   10   10   11   11   13   14   14   14   16   17   17   19   19   20   23   26 
LCS_GDT     N    96_A     N    96_A     10   11   14      3    8    8   10   10   10   10   11   13   14   14   14   15   15   16   18   18   20   20   23 
LCS_AVERAGE  LCS_A:  51.24  (  29.07   38.59   86.07 )

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     21     44     55     62     64     66     67     68     70     71     71     72     73     73     74     74     74     74     74     75 
GDT PERCENT_AT  24.14  50.57  63.22  71.26  73.56  75.86  77.01  78.16  80.46  81.61  81.61  82.76  83.91  83.91  85.06  85.06  85.06  85.06  85.06  86.21
GDT RMS_LOCAL    0.36   0.66   0.84   1.03   1.14   1.24   1.33   1.44   1.67   1.77   1.77   1.95   2.10   2.10   2.31   2.31   2.31   2.31   2.31   2.67
GDT RMS_ALL_AT  10.67  10.64  10.63  10.64  10.65  10.62  10.60  10.60  10.56  10.58  10.58  10.55  10.58  10.58  10.56  10.56  10.56  10.56  10.56  10.52

# Checking swapping
#   possible swapping detected:  E    24_A      E    24_A
#   possible swapping detected:  D    35_A      D    35_A
#   possible swapping detected:  Y    38_A      Y    38_A
#   possible swapping detected:  D    39_A      D    39_A
#   possible swapping detected:  D    57_A      D    57_A
#   possible swapping detected:  E    58_A      E    58_A
#   possible swapping detected:  Y    63_A      Y    63_A
#   possible swapping detected:  E    66_A      E    66_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     1.850     0    0.517   1.000    10.280   69.762   46.402
LGA    L    16_A      L    16_A     0.990     0    0.035   1.197     3.095   85.952   75.655
LGA    I    17_A      I    17_A     0.547     0    0.119   0.683     2.987   88.214   86.369
LGA    I    18_A      I    18_A     0.469     0    0.105   0.642     2.695   92.857   89.881
LGA    K    19_A      K    19_A     0.357     0    0.066   0.292     1.539   97.619   91.746
LGA    A    20_A      A    20_A     0.185     0    0.041   0.058     0.412  100.000  100.000
LGA    Q    21_A      Q    21_A     0.721     0    0.090   1.023     5.479   88.214   72.169
LGA    L    22_A      L    22_A     0.719     0    0.073   0.170     1.797   90.476   84.881
LGA    G    23_A      G    23_A     0.332     0    0.140   0.140     1.175   90.595   90.595
LGA    E    24_A      E    24_A     0.348     0    0.023   0.670     2.538   97.619   88.042
LGA    D    25_A      D    25_A     0.487     0    0.068   0.224     1.000   95.238   95.238
LGA    I    26_A      I    26_A     0.633     0    0.013   0.172     1.129   95.238   90.595
LGA    R    27_A      R    27_A     0.624     0    0.110   0.231     1.694   90.476   85.584
LGA    R    28_A      R    28_A     0.827     0    0.069   1.315     5.514   90.476   73.506
LGA    I    29_A      I    29_A     0.849     0    0.016   0.789     2.756   90.476   85.179
LGA    P    30_A      P    30_A     1.032     0    0.012   0.084     1.152   83.690   84.014
LGA    I    31_A      I    31_A     1.111     0    0.176   0.576     2.021   79.286   79.405
LGA    H    32_A      H    32_A     0.950     0    0.040   1.384     7.043   90.476   59.429
LGA    N    33_A      N    33_A     0.974     0    0.021   1.192     5.565   88.214   67.798
LGA    E    34_A      E    34_A     1.410     0    0.059   0.423     3.229   81.548   70.635
LGA    D    35_A      D    35_A     1.929     0    0.155   1.072     3.777   75.000   66.250
LGA    I    36_A      I    36_A     1.689     0    0.070   0.285     3.049   75.000   68.095
LGA    T    37_A      T    37_A     0.785     0    0.034   0.151     1.068   88.214   91.905
LGA    Y    38_A      Y    38_A     1.234     0    0.041   0.822     5.468   85.952   64.881
LGA    D    39_A      D    39_A     0.758     0    0.073   0.770     2.688   90.476   82.917
LGA    E    40_A      E    40_A     0.223     0    0.046   0.911     4.018  100.000   84.339
LGA    L    41_A      L    41_A     0.578     0    0.036   0.105     1.577   90.476   87.143
LGA    V    42_A      V    42_A     1.338     0    0.063   0.080     1.915   81.548   77.823
LGA    L    43_A      L    43_A     1.584     0    0.049   1.444     4.081   79.286   74.881
LGA    M    44_A      M    44_A     0.917     0    0.161   0.706     1.771   86.071   82.738
LGA    M    45_A      M    45_A     0.715     0    0.074   0.129     1.673   83.810   82.619
LGA    Q    46_A      Q    46_A     2.276     0    0.070   0.175     3.831   64.881   58.254
LGA    R    47_A      R    47_A     2.680     0    0.140   1.484     4.465   62.857   59.740
LGA    V    48_A      V    48_A     1.675     0    0.065   1.251     2.424   75.000   71.769
LGA    F    49_A      F    49_A     0.956     0    0.546   0.486     1.641   81.548   87.229
LGA    R    50_A      R    50_A     3.416     0    0.539   0.964     3.973   48.452   48.918
LGA    G    51_A      G    51_A     4.698     0    0.568   0.568     4.698   35.833   35.833
LGA    K    52_A      K    52_A     5.794     0    0.524   0.963    13.565   22.262   10.265
LGA    L    53_A      L    53_A     7.433     0    0.668   0.570    14.012   18.690    9.405
LGA    L    54_A      L    54_A     4.053     0    0.052   0.118     5.177   32.976   33.036
LGA    S    55_A      S    55_A     4.991     0    0.623   0.786     7.668   31.548   25.794
LGA    N    56_A      N    56_A     6.900     0    0.574   1.245    12.367   16.548    8.631
LGA    D    57_A      D    57_A     2.689     0    0.564   1.194     5.392   65.000   52.202
LGA    E    58_A      E    58_A     1.475     0    0.069   0.678     4.718   75.119   58.783
LGA    V    59_A      V    59_A     1.025     0    0.139   0.851     3.380   88.214   82.245
LGA    T    60_A      T    60_A     0.719     0    0.302   0.318     1.728   86.071   89.320
LGA    I    61_A      I    61_A     1.579     0    0.051   0.149     1.861   77.143   75.000
LGA    K    62_A      K    62_A     1.188     0    0.156   0.423     1.822   79.286   84.656
LGA    Y    63_A      Y    63_A     0.713     0    0.026   0.236     1.155   95.238   90.556
LGA    K    64_A      K    64_A     0.410     0    0.044   0.241     3.875   97.619   79.841
LGA    A    65_A      A    65_A     0.383     0    0.087   0.107     0.642   95.238   94.286
LGA    E    66_A      E    66_A     0.738     0    0.531   0.729     2.254   83.810   81.693
LGA    R    67_A      R    67_A     2.946     0    0.299   1.019    11.783   69.405   33.074
LGA    G    68_A      G    68_A     1.117     0    0.075   0.075     1.617   86.190   86.190
LGA    D    69_A      D    69_A     0.835     0    0.049   1.007     3.699   90.476   77.024
LGA    L    70_A      L    70_A     0.685     0    0.120   0.199     1.378   88.214   89.345
LGA    I    71_A      I    71_A     1.163     0    0.074   0.628     2.356   83.690   80.476
LGA    T    72_A      T    72_A     1.473     0    0.036   1.070     3.435   81.429   77.007
LGA    I    73_A      I    73_A     0.948     0    0.038   0.056     1.258   83.690   87.083
LGA    F    74_A      F    74_A     1.005     0    0.172   1.124     4.244   90.595   75.108
LGA    D    75_A      D    75_A     0.539     0    0.055   0.957     2.779   97.619   86.488
LGA    S    76_A      S    76_A     0.679     0    0.038   0.657     2.800   90.476   83.413
LGA    S    77_A      S    77_A     0.941     0    0.024   0.567     1.485   90.476   87.460
LGA    D    78_A      D    78_A     0.656     0    0.024   0.088     0.735   90.476   91.667
LGA    L    79_A      L    79_A     0.239     0    0.021   0.180     1.132  100.000   96.488
LGA    S    80_A      S    80_A     0.589     0    0.027   0.057     1.079   92.857   90.556
LGA    F    81_A      F    81_A     0.845     0    0.021   0.163     2.393   90.476   78.615
LGA    A    82_A      A    82_A     0.747     0    0.037   0.058     0.869   90.476   90.476
LGA    I    83_A      I    83_A     0.460     0    0.051   0.121     0.972   95.238   94.048
LGA    Q    84_A      Q    84_A     0.280     0    0.049   0.917     5.022   95.238   72.646
LGA    C    85_A      C    85_A     1.566     0    0.229   0.232     2.546   71.071   67.698
LGA    S    86_A      S    86_A     2.252     0    0.615   0.742     4.334   61.429   55.476
LGA    R    87_A      R    87_A     4.792     0    0.552   1.366     9.063   23.214   32.078
LGA    I    88_A      I    88_A     8.635     0    0.060   0.569    11.827    8.095    4.405
LGA    L    89_A      L    89_A    11.989     0    0.071   0.246    17.331    0.000    0.000
LGA    K    90_A      K    90_A    14.491     0    0.050   0.908    16.774    0.000    0.000
LGA    L    91_A      L    91_A    21.644     0    0.044   0.953    23.476    0.000    0.000
LGA    T    92_A      T    92_A    26.142     0    0.067   1.114    29.616    0.000    0.000
LGA    L    93_A      L    93_A    33.611     0    0.042   1.151    35.226    0.000    0.000
LGA    F    94_A      F    94_A    38.593     0    0.129   1.280    42.145    0.000    0.000
LGA    V    95_A      V    95_A    45.965     0    0.048   0.062    50.104    0.000    0.000
LGA    N    96_A      N    96_A    50.678     0    0.524   0.852    55.080    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       82     328    328  100.00     668    668  100.00                87
SUMMARY(RMSD_GDC):     9.904          9.998                 10.217           66.970   61.552

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   87   87    4.0     68    1.44    71.264    65.324     4.405

LGA_LOCAL      RMSD:   1.444  Number of atoms:   68  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  10.595  Number of assigned atoms:   82 
Std_ASGN_ATOMS RMSD:   9.904  Standard rmsd on all 82 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.363931 * X  +  -0.878289 * Y  +  -0.310101 * Z  + -11.813171
  Y_new =  -0.526525 * X  +  -0.080642 * Y  +   0.846326 * Z  +  14.605791
  Z_new =  -0.768326 * X  +   0.471280 * Y  +  -0.433093 * Z  +   3.517124 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.175588  0.876222  2.313995   [DEG: -124.6520   50.2038  132.5821 ]
ZXZ: -2.790376  2.018718 -1.020592   [DEG: -159.8768  115.6640  -58.4756 ]
 
# END of job
