
#######################################################
#                                                     #
#                        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  102 (  824),  selected   83 , name one
# Molecule2: number of CA atoms   83 (  673),  selected   83 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    83       6_A - 88_A        4.98     4.98
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    64      10_A - 73_A        1.90     5.27
  LONGEST_CONTINUOUS_SEGMENT:    64      11_A - 74_A        1.78     5.38
  LONGEST_CONTINUOUS_SEGMENT:    64      12_A - 75_A        1.89     5.45
  LONGEST_CONTINUOUS_SEGMENT:    64      13_A - 76_A        1.96     5.51
  LONGEST_CONTINUOUS_SEGMENT:    64      17_A - 80_A        1.99     5.57
  LCS_AVERAGE:     68.56

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    55      16_A - 70_A        1.00     5.40
  LONGEST_CONTINUOUS_SEGMENT:    55      17_A - 71_A        1.00     5.39
  LONGEST_CONTINUOUS_SEGMENT:    55      18_A - 72_A        1.00     5.38
  LCS_AVERAGE:     49.28

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   83
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     R     6_B     R     6_A      3    4   83      0    3    3    3    4    5    6    7    7    7    7    7    8    8   14   14   15   19   22   24 
LCS_GDT     K     7_B     K     7_A      3    4   83      1    3    3    3    5    5    6    7    7    8    9   10   12   13   35   38   42   44   48   68 
LCS_GDT     P     8_B     P     8_A      3    4   83      3    3    3    3    5    5    6    7    7    8    9   10   12   29   35   38   42   63   73   77 
LCS_GDT     K     9_B     K     9_A      3    4   83      3    3    3    4    5    5   29   37   49   60   64   71   74   76   76   76   78   80   80   80 
LCS_GDT     A    10_B     A    10_A      4   64   83      3    3    4   12   25   39   49   58   67   70   71   75   75   76   78   79   79   80   80   80 
LCS_GDT     K    11_B     K    11_A      4   64   83      4    7   20   30   44   62   64   68   70   72   74   77   78   78   78   79   79   80   80   80 
LCS_GDT     R    12_B     R    12_A     31   64   83      4   16   30   41   61   64   67   69   72   73   75   77   78   78   78   79   79   80   80   80 
LCS_GDT     T    13_B     T    13_A     31   64   83      4   21   52   59   62   64   67   69   72   73   75   77   78   78   78   79   79   80   80   80 
LCS_GDT     W    14_B     W    14_A     35   64   83      4   12   52   59   62   64   67   69   72   73   75   77   78   78   78   79   79   80   80   80 
LCS_GDT     S    15_B     S    15_A     37   64   83      8   28   52   59   62   64   67   69   72   73   75   77   78   78   78   79   79   80   80   80 
LCS_GDT     K    16_B     K    16_A     55   64   83     13   43   52   59   62   64   67   69   72   73   75   77   78   78   78   79   79   80   80   80 
LCS_GDT     E    17_B     E    17_A     55   64   83     13   44   52   59   62   64   67   69   72   73   75   77   78   78   78   79   79   80   80   80 
LCS_GDT     E    18_B     E    18_A     55   64   83     15   44   52   59   62   64   67   69   72   73   75   77   78   78   78   79   79   80   80   80 
LCS_GDT     E    19_B     E    19_A     55   64   83     13   44   52   59   62   64   67   69   72   73   75   77   78   78   78   79   79   80   80   80 
LCS_GDT     E    20_B     E    20_A     55   64   83     13   44   52   59   62   64   67   69   72   73   75   77   78   78   78   79   79   80   80   80 
LCS_GDT     A    21_B     A    21_A     55   64   83     18   44   52   59   62   64   67   69   72   73   75   77   78   78   78   79   79   80   80   80 
LCS_GDT     L    22_B     L    22_A     55   64   83     18   44   52   59   62   64   67   69   72   73   75   77   78   78   78   79   79   80   80   80 
LCS_GDT     V    23_B     V    23_A     55   64   83     13   44   52   59   62   64   67   69   72   73   75   77   78   78   78   79   79   80   80   80 
LCS_GDT     E    24_B     E    24_A     55   64   83     13   44   52   59   62   64   67   69   72   73   75   77   78   78   78   79   79   80   80   80 
LCS_GDT     G    25_B     G    25_A     55   64   83     18   44   52   59   62   64   67   69   72   73   75   77   78   78   78   79   79   80   80   80 
LCS_GDT     L    26_B     L    26_A     55   64   83     18   44   52   59   62   64   67   69   72   73   75   77   78   78   78   79   79   80   80   80 
LCS_GDT     K    27_B     K    27_A     55   64   83     13   44   52   59   62   64   67   69   72   73   74   77   78   78   78   79   79   80   80   80 
LCS_GDT     E    28_B     E    28_A     55   64   83     12   44   52   59   62   64   67   69   72   73   75   77   78   78   78   79   79   80   80   80 
LCS_GDT     V    29_B     V    29_A     55   64   83     13   44   52   59   62   64   67   69   72   73   75   77   78   78   78   79   79   80   80   80 
LCS_GDT     G    30_B     G    30_A     55   64   83      5   28   52   59   62   64   67   69   72   73   75   77   78   78   78   79   79   80   80   80 
LCS_GDT     P    31_B     P    31_A     55   64   83      6   33   52   59   62   64   67   69   72   73   75   77   78   78   78   79   79   80   80   80 
LCS_GDT     S    32_B     S    32_A     55   64   83     11   44   52   59   62   64   67   69   72   73   75   77   78   78   78   79   79   80   80   80 
LCS_GDT     W    33_B     W    33_A     55   64   83     12   44   52   59   62   64   67   69   72   73   75   77   78   78   78   79   79   80   80   80 
LCS_GDT     S    34_B     S    34_A     55   64   83     12   44   52   59   62   64   67   69   72   73   75   77   78   78   78   79   79   80   80   80 
LCS_GDT     K    35_B     K    35_A     55   64   83     16   44   52   59   62   64   67   69   72   73   75   77   78   78   78   79   79   80   80   80 
LCS_GDT     I    36_B     I    36_A     55   64   83     18   44   52   59   62   64   67   69   72   73   75   77   78   78   78   79   79   80   80   80 
LCS_GDT     L    37_B     L    37_A     55   64   83     14   44   52   59   62   64   67   69   72   73   75   77   78   78   78   79   79   80   80   80 
LCS_GDT     D    38_B     D    38_A     55   64   83     14   44   52   59   62   64   67   69   72   73   75   77   78   78   78   79   79   80   80   80 
LCS_GDT     L    39_B     L    39_A     55   64   83     18   44   52   59   62   64   67   69   72   73   75   77   78   78   78   79   79   80   80   80 
LCS_GDT     Y    40_B     Y    40_A     55   64   83     18   44   52   59   62   64   67   69   72   73   75   77   78   78   78   79   79   80   80   80 
LCS_GDT     G    41_B     G    41_A     55   64   83      8   44   52   59   62   64   67   69   72   73   75   77   78   78   78   79   79   80   80   80 
LCS_GDT     P    42_B     P    42_A     55   64   83     14   44   52   59   62   64   67   69   72   73   75   77   78   78   78   79   79   80   80   80 
LCS_GDT     G    43_B     G    43_A     55   64   83      3    4   27   37   62   64   67   69   72   73   75   77   78   78   78   79   79   80   80   80 
LCS_GDT     G    44_B     G    44_A     55   64   83      2   24   50   59   62   64   67   69   72   73   75   77   78   78   78   79   79   80   80   80 
LCS_GDT     K    45_B     K    45_A     55   64   83     14   44   52   59   62   64   67   69   72   73   75   77   78   78   78   79   79   80   80   80 
LCS_GDT     I    46_B     I    46_A     55   64   83     18   44   52   59   62   64   67   69   72   73   75   77   78   78   78   79   79   80   80   80 
LCS_GDT     T    47_B     T    47_A     55   64   83     14   44   52   59   62   64   67   69   72   73   75   77   78   78   78   79   79   80   80   80 
LCS_GDT     E    48_B     E    48_A     55   64   83     17   44   52   59   62   64   67   69   72   73   75   77   78   78   78   79   79   80   80   80 
LCS_GDT     N    49_B     N    49_A     55   64   83     16   44   52   59   62   64   67   69   72   73   75   77   78   78   78   79   79   80   80   80 
LCS_GDT     L    50_B     L    50_A     55   64   83      8   44   52   59   62   64   67   69   72   73   75   77   78   78   78   79   79   80   80   80 
LCS_GDT     K    51_B     K    51_A     55   64   83      3    9   51   59   62   64   67   69   72   73   75   77   78   78   78   79   79   80   80   80 
LCS_GDT     N    52_B     N    52_A     55   64   83      3   30   48   59   62   64   67   69   72   73   75   77   78   78   78   79   79   80   80   80 
LCS_GDT     R    53_B     R    53_A     55   64   83     16   44   52   59   62   64   67   69   72   73   75   77   78   78   78   79   79   80   80   80 
LCS_GDT     T    54_B     T    54_A     55   64   83     18   44   52   59   62   64   67   69   72   73   75   77   78   78   78   79   79   80   80   80 
LCS_GDT     Q    55_B     Q    55_A     55   64   83     18   44   52   59   62   64   67   69   72   73   75   77   78   78   78   79   79   80   80   80 
LCS_GDT     V    56_B     V    56_A     55   64   83     18   44   52   59   62   64   67   69   72   73   75   77   78   78   78   79   79   80   80   80 
LCS_GDT     Q    57_B     Q    57_A     55   64   83     18   44   52   59   62   64   67   69   72   73   75   77   78   78   78   79   79   80   80   80 
LCS_GDT     L    58_B     L    58_A     55   64   83     18   44   52   59   62   64   67   69   72   73   75   77   78   78   78   79   79   80   80   80 
LCS_GDT     K    59_B     K    59_A     55   64   83     18   44   52   59   62   64   67   69   72   73   75   77   78   78   78   79   79   80   80   80 
LCS_GDT     D    60_B     D    60_A     55   64   83     18   44   52   59   62   64   67   69   72   73   75   77   78   78   78   79   79   80   80   80 
LCS_GDT     K    61_B     K    61_A     55   64   83     18   44   52   59   62   64   67   69   72   73   75   77   78   78   78   79   79   80   80   80 
LCS_GDT     A    62_B     A    62_A     55   64   83     18   44   52   59   62   64   67   69   72   73   75   77   78   78   78   79   79   80   80   80 
LCS_GDT     R    63_B     R    63_A     55   64   83     18   44   52   59   62   64   67   69   72   73   75   77   78   78   78   79   79   80   80   80 
LCS_GDT     N    64_B     N    64_A     55   64   83     17   44   52   59   62   64   67   69   72   73   75   77   78   78   78   79   79   80   80   80 
LCS_GDT     W    65_B     W    65_A     55   64   83     16   44   52   59   62   64   67   69   72   73   75   77   78   78   78   79   79   80   80   80 
LCS_GDT     K    66_B     K    66_A     55   64   83     16   44   52   59   62   64   67   69   72   73   75   77   78   78   78   79   79   80   80   80 
LCS_GDT     L    67_B     L    67_A     55   64   83     16   44   52   59   62   64   67   69   72   73   75   77   78   78   78   79   79   80   80   80 
LCS_GDT     Q    68_B     Q    68_A     55   64   83     16   44   52   59   62   64   67   69   72   73   75   77   78   78   78   79   79   80   80   80 
LCS_GDT     Y    69_B     Y    69_A     55   64   83     12   38   52   59   62   64   67   69   72   73   75   77   78   78   78   79   79   80   80   80 
LCS_GDT     L    70_B     L    70_A     55   64   83     12   27   52   59   62   64   67   69   72   73   75   77   78   78   78   79   79   80   80   80 
LCS_GDT     K    71_B     K    71_A     55   64   83     12   38   52   59   62   64   67   69   72   73   75   77   78   78   78   79   79   80   80   80 
LCS_GDT     S    72_B     S    72_A     55   64   83     10   38   52   59   62   64   67   69   72   73   75   77   78   78   78   79   79   80   80   80 
LCS_GDT     G    73_B     G    73_A      9   64   83      3    7   10   18   37   47   61   68   72   73   75   77   78   78   78   79   79   80   80   80 
LCS_GDT     K    74_B     K    74_A      9   64   83      4    7   12   22   37   55   62   68   72   73   75   77   78   78   78   79   79   80   80   80 
LCS_GDT     P    75_B     P    75_A      9   64   83      4    7   11   18   28   39   48   64   70   73   75   77   78   78   78   79   79   80   80   80 
LCS_GDT     L    76_B     L    76_A      9   64   83      4    7    9   18   28   39   54   67   72   73   75   77   78   78   78   79   79   80   80   80 
LCS_GDT     P    77_B     P    77_A      9   64   83      5    9   22   43   55   64   67   69   72   73   75   77   78   78   78   79   79   80   80   80 
LCS_GDT     D    78_B     D    78_A      9   64   83      5   11   32   45   59   64   67   69   72   73   75   77   78   78   78   79   79   80   80   80 
LCS_GDT     Y    79_B     Y    79_A      9   64   83      5   15   42   57   62   64   67   69   72   73   75   77   78   78   78   79   79   80   80   80 
LCS_GDT     L    80_B     L    80_A      9   64   83      5   13   42   56   62   64   67   69   72   73   75   77   78   78   78   79   79   80   80   80 
LCS_GDT     I    81_B     I    81_A      9   61   83      5    7   20   43   55   64   67   69   72   73   75   77   78   78   78   79   79   80   80   80 
LCS_GDT     K    82_B     K    82_A      5   30   83      4    4   12   22   34   54   63   69   72   73   75   77   78   78   78   79   79   80   80   80 
LCS_GDT     V    83_B     V    83_A      5   26   83      4    6   12   27   44   64   67   69   72   73   75   77   78   78   78   79   79   80   80   80 
LCS_GDT     T    84_B     T    84_A      3   24   83      3    3    4   20   31   48   59   69   72   73   75   77   78   78   78   79   79   80   80   80 
LCS_GDT     G    85_B     G    85_A      3    7   83      3    3    4    4    7   17   45   51   57   62   72   76   78   78   78   79   79   80   80   80 
LCS_GDT     N    86_B     N    86_A      3    7   83      3    3    4    4   19   23   31   45   67   68   75   77   78   78   78   79   79   80   80   80 
LCS_GDT     L    87_B     L    87_A      3    4   83      3    3    3    3    6   23   31   41   55   68   75   77   78   78   78   79   79   80   80   80 
LCS_GDT     E    88_B     E    88_A      3    4   83      3    3    7   14   23   33   40   64   67   73   75   77   78   78   78   79   79   80   80   80 
LCS_AVERAGE  LCS_A:  72.61  (  49.28   68.56  100.00 )

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     18     44     52     59     62     64     67     69     72     73     75     77     78     78     78     79     79     80     80     80 
GDT PERCENT_AT  21.69  53.01  62.65  71.08  74.70  77.11  80.72  83.13  86.75  87.95  90.36  92.77  93.98  93.98  93.98  95.18  95.18  96.39  96.39  96.39
GDT RMS_LOCAL    0.37   0.66   0.83   1.01   1.20   1.43   1.65   1.86   2.16   2.27   2.64   2.70   2.82   2.82   2.82   2.97   2.97   3.25   3.25   3.25
GDT RMS_ALL_AT   5.56   5.49   5.39   5.39   5.36   5.35   5.31   5.28   5.41   5.46   5.44   5.40   5.40   5.40   5.40   5.32   5.32   5.20   5.20   5.20

# Checking swapping
#   possible swapping detected:  E    17_B      E    17_A
#   possible swapping detected:  E    18_B      E    18_A
#   possible swapping detected:  E    19_B      E    19_A
#   possible swapping detected:  E    20_B      E    20_A
#   possible swapping detected:  E    24_B      E    24_A
#   possible swapping detected:  D    38_B      D    38_A
#   possible swapping detected:  Y    40_B      Y    40_A
#   possible swapping detected:  E    48_B      E    48_A
#   possible swapping detected:  D    60_B      D    60_A
#   possible swapping detected:  Y    69_B      Y    69_A
#   possible swapping detected:  D    78_B      D    78_A
#   possible swapping detected:  Y    79_B      Y    79_A
#   possible swapping detected:  E    88_B      E    88_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    R     6_B      R     6_A    27.279     0    0.613   1.518    28.869    0.000    0.000
LGA    K     7_B      K     7_A    20.642     0    0.444   0.788    23.055    0.000    0.000
LGA    P     8_B      P     8_A    16.334     0    0.428   0.554    18.393    0.000    0.000
LGA    K     9_B      K     9_A    12.001     0    0.615   0.777    15.975    2.857    1.270
LGA    A    10_B      A    10_A     8.539     0    0.667   0.614    10.979    6.667    5.333
LGA    K    11_B      K    11_A     4.947     0    0.487   0.778     7.941   29.286   23.386
LGA    R    12_B      R    12_A     3.398     0    0.227   0.856     7.650   51.905   36.320
LGA    T    13_B      T    13_A     1.569     0    0.098   0.131     2.003   75.119   76.599
LGA    W    14_B      W    14_A     1.439     0    0.063   0.346     8.245   67.262   38.810
LGA    S    15_B      S    15_A     2.461     0    0.481   0.564     3.231   63.095   61.111
LGA    K    16_B      K    16_A     1.756     0    0.102   1.207     6.247   72.857   59.153
LGA    E    17_B      E    17_A     1.920     0    0.041   0.773     3.450   72.857   65.026
LGA    E    18_B      E    18_A     1.203     0    0.056   0.873     4.140   81.429   68.783
LGA    E    19_B      E    19_A     1.358     0    0.068   1.220     4.757   77.143   62.011
LGA    E    20_B      E    20_A     1.771     0    0.058   0.120     2.444   72.857   69.259
LGA    A    21_B      A    21_A     1.198     0    0.063   0.058     1.318   81.429   81.429
LGA    L    22_B      L    22_A     0.989     0    0.065   0.074     1.140   83.690   87.083
LGA    V    23_B      V    23_A     1.787     0    0.041   1.174     3.229   72.976   68.503
LGA    E    24_B      E    24_A     1.800     0    0.024   0.896     2.351   77.143   76.878
LGA    G    25_B      G    25_A     0.795     0    0.029   0.029     1.143   88.214   88.214
LGA    L    26_B      L    26_A     1.532     0    0.142   0.145     2.376   70.952   71.905
LGA    K    27_B      K    27_A     2.663     0    0.360   1.285    12.344   73.452   39.683
LGA    E    28_B      E    28_A     0.848     0    0.075   0.864     2.928   90.476   79.101
LGA    V    29_B      V    29_A     0.866     0    0.222   1.233     3.388   79.643   77.211
LGA    G    30_B      G    30_A     2.013     0    0.134   0.134     2.013   75.119   75.119
LGA    P    31_B      P    31_A     0.632     0    0.398   0.771     1.957   86.071   88.163
LGA    S    32_B      S    32_A     1.625     0    0.554   0.610     4.669   62.619   58.730
LGA    W    33_B      W    33_A     1.188     0    0.119   1.138     9.686   85.952   46.463
LGA    S    34_B      S    34_A     1.002     0    0.065   0.671     3.064   85.952   79.206
LGA    K    35_B      K    35_A     0.930     0    0.029   0.639     1.490   90.476   86.455
LGA    I    36_B      I    36_A     0.584     0    0.031   0.075     0.683   90.476   92.857
LGA    L    37_B      L    37_A     0.865     0    0.083   1.390     3.507   90.476   79.167
LGA    D    38_B      D    38_A     0.965     0    0.067   0.155     1.684   90.476   84.881
LGA    L    39_B      L    39_A     0.916     0    0.020   0.122     1.543   90.476   84.881
LGA    Y    40_B      Y    40_A     0.712     0    0.528   0.443     2.331   84.048   85.317
LGA    G    41_B      G    41_A     1.229     0    0.076   0.076     1.229   85.952   85.952
LGA    P    42_B      P    42_A     1.063     0    0.649   0.615     2.609   77.619   78.095
LGA    G    43_B      G    43_A     2.583     0    0.372   0.372     2.583   69.048   69.048
LGA    G    44_B      G    44_A     1.712     0    0.056   0.056     2.280   77.381   77.381
LGA    K    45_B      K    45_A     0.580     0    0.684   0.844     3.286   78.095   75.450
LGA    I    46_B      I    46_A     1.124     0    0.078   0.092     2.080   81.548   78.333
LGA    T    47_B      T    47_A     0.880     0    0.110   0.236     1.444   95.238   90.612
LGA    E    48_B      E    48_A     0.716     0    0.108   0.307     2.496   90.476   81.693
LGA    N    49_B      N    49_A     0.849     0    0.091   1.026     3.525   88.214   76.905
LGA    L    50_B      L    50_A     1.139     0    0.314   0.273     3.648   70.000   78.036
LGA    K    51_B      K    51_A     2.187     0    0.607   1.205     6.200   70.952   52.804
LGA    N    52_B      N    52_A     1.602     0    0.341   1.147     6.029   72.976   55.774
LGA    R    53_B      R    53_A     1.497     0    0.075   1.286     6.914   81.429   57.489
LGA    T    54_B      T    54_A     1.568     0    0.024   0.066     2.267   77.143   72.993
LGA    Q    55_B      Q    55_A     1.546     0    0.037   0.155     1.876   77.143   74.762
LGA    V    56_B      V    56_A     1.502     0    0.043   0.049     2.146   79.286   75.374
LGA    Q    57_B      Q    57_A     1.173     0    0.056   1.208     3.680   85.952   70.317
LGA    L    58_B      L    58_A     0.455     0    0.036   0.269     0.916   92.857   92.857
LGA    K    59_B      K    59_A     1.294     0    0.052   0.741     3.032   81.429   76.032
LGA    D    60_B      D    60_A     1.221     0    0.063   0.906     3.862   85.952   71.964
LGA    K    61_B      K    61_A     0.758     0    0.050   1.166     6.269   90.476   73.757
LGA    A    62_B      A    62_A     1.050     0    0.055   0.061     1.140   81.429   81.429
LGA    R    63_B      R    63_A     1.292     0    0.041   1.039     5.744   81.429   69.307
LGA    N    64_B      N    64_A     0.848     0    0.035   0.249     1.504   90.476   86.012
LGA    W    65_B      W    65_A     0.881     0    0.061   1.359     6.333   90.476   67.619
LGA    K    66_B      K    66_A     1.184     0    0.048   0.943     6.245   83.690   59.683
LGA    L    67_B      L    67_A     1.087     0    0.071   0.062     1.333   83.690   82.560
LGA    Q    68_B      Q    68_A     0.994     0    0.047   0.738     2.430   83.690   81.587
LGA    Y    69_B      Y    69_A     1.355     0    0.064   1.467     7.385   81.429   58.651
LGA    L    70_B      L    70_A     1.439     0    0.064   0.193     1.833   77.143   76.071
LGA    K    71_B      K    71_A     1.478     0    0.015   0.986     3.980   77.143   72.593
LGA    S    72_B      S    72_A     1.767     0    0.409   0.820     4.772   72.976   61.111
LGA    G    73_B      G    73_A     6.123     0    0.370   0.370     7.433   21.905   21.905
LGA    K    74_B      K    74_A     5.954     0    0.043   1.063    10.384   21.548   13.862
LGA    P    75_B      P    75_A     7.302     0    0.034   0.670     9.293   10.833    7.279
LGA    L    76_B      L    76_A     6.261     0    0.037   1.029     9.730   22.024   15.298
LGA    P    77_B      P    77_A     3.851     0    0.116   0.345     5.203   40.357   38.299
LGA    D    78_B      D    78_A     3.353     0    0.108   1.129     6.259   53.571   44.464
LGA    Y    79_B      Y    79_A     1.861     0    0.244   1.225     7.841   72.976   51.706
LGA    L    80_B      L    80_A     2.134     0    0.197   0.977     2.894   66.786   64.881
LGA    I    81_B      I    81_A     3.620     0    0.041   0.718     5.652   45.000   35.655
LGA    K    82_B      K    82_A     5.117     0    0.260   0.791     9.382   31.548   18.889
LGA    V    83_B      V    83_A     3.817     0    0.611   0.581     4.239   40.238   45.442
LGA    T    84_B      T    84_A     5.119     0    0.323   1.130     8.917   21.190   15.850
LGA    G    85_B      G    85_A     8.505     0    0.569   0.569     8.505    7.500    7.500
LGA    N    86_B      N    86_A     7.363     0    0.187   1.131     8.595    7.857    8.929
LGA    L    87_B      L    87_A     7.540     0    0.115   1.326    10.113    7.857    8.214
LGA    E    88_B      E    88_A     7.071     0    0.071   1.054    11.275   12.619    6.984

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       83     332    332  100.00     673    673  100.00                83
SUMMARY(RMSD_GDC):     4.977          4.849                  5.687           65.301   58.623

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  102   83    4.0     69    1.86    75.602    76.086     3.513

LGA_LOCAL      RMSD:   1.864  Number of atoms:   69  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   5.284  Number of assigned atoms:   83 
Std_ASGN_ATOMS RMSD:   4.977  Standard rmsd on all 83 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.591159 * X  +  -0.795963 * Y  +   0.130287 * Z  +  31.539160
  Y_new =  -0.246983 * X  +  -0.332422 * Y  +  -0.910217 * Z  +  30.702320
  Z_new =   0.767809 * X  +   0.505904 * Y  +  -0.393103 * Z  +  -4.535786 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.395751 -0.875414  2.231374   [DEG:  -22.6749  -50.1576  127.8483 ]
ZXZ:  0.142173  1.974800  0.988195   [DEG:    8.1459  113.1477   56.6194 ]
 
# END of job
