
#######################################################
#                                                     #
#                        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:    68      10_A - 77_A        4.95     7.72
  LONGEST_CONTINUOUS_SEGMENT:    68      11_A - 78_A        4.99     7.81
  LCS_AVERAGE:     79.84

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    35       9_A - 43_A        1.97     8.23
  LONGEST_CONTINUOUS_SEGMENT:    35      10_A - 44_A        1.80     8.18
  LCS_AVERAGE:     29.58

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    32      11_A - 42_A        0.97     8.55
  LCS_AVERAGE:     24.18

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      4    7   66      3    3    4    4    7   10   12   13   14   16   19   21   27   31   36   41   46   49   57   59 
LCS_GDT     K     7_B     K     7_A      4    7   66      3    3    4    4    6    7   10   12   15   18   31   34   37   39   45   56   61   64   65   66 
LCS_GDT     P     8_B     P     8_A      4    7   67      3    5    9   11   14   19   27   37   45   50   55   57   58   60   62   65   66   68   70   73 
LCS_GDT     K     9_B     K     9_A      4   35   67      3    5    9   11   13   19   33   42   49   54   56   58   59   61   64   65   70   70   71   73 
LCS_GDT     A    10_B     A    10_A      4   35   68      3    4   18   27   39   50   53   55   56   57   60   61   62   67   67   69   71   71   73   74 
LCS_GDT     K    11_B     K    11_A     32   35   68      4   35   43   49   51   52   53   55   56   57   60   61   62   67   68   70   71   72   73   74 
LCS_GDT     R    12_B     R    12_A     32   35   68      4   32   43   49   51   52   53   55   56   57   60   61   62   67   68   70   71   72   73   74 
LCS_GDT     T    13_B     T    13_A     32   35   68     11   34   43   49   51   52   53   55   56   57   60   61   62   67   68   70   71   72   73   74 
LCS_GDT     W    14_B     W    14_A     32   35   68     19   35   43   49   51   52   53   55   56   57   60   61   62   67   68   70   71   72   73   74 
LCS_GDT     S    15_B     S    15_A     32   35   68     19   35   43   49   51   52   53   55   56   57   60   61   62   67   68   70   71   72   73   74 
LCS_GDT     K    16_B     K    16_A     32   35   68     19   35   43   49   51   52   53   55   56   57   60   61   62   67   68   70   71   71   73   74 
LCS_GDT     E    17_B     E    17_A     32   35   68     19   35   43   49   51   52   53   55   56   57   60   61   62   67   68   70   71   72   73   74 
LCS_GDT     E    18_B     E    18_A     32   35   68     19   35   43   49   51   52   53   55   56   57   60   61   62   67   68   70   71   72   73   74 
LCS_GDT     E    19_B     E    19_A     32   35   68     18   35   43   49   51   52   53   55   56   57   60   61   62   67   68   70   71   72   73   74 
LCS_GDT     E    20_B     E    20_A     32   35   68     19   35   43   49   51   52   53   55   56   57   60   61   62   67   68   70   71   72   73   74 
LCS_GDT     A    21_B     A    21_A     32   35   68     19   35   43   49   51   52   53   55   56   57   60   61   62   67   68   70   71   72   73   74 
LCS_GDT     L    22_B     L    22_A     32   35   68     19   35   43   49   51   52   53   55   56   57   60   61   62   67   68   70   71   72   73   74 
LCS_GDT     V    23_B     V    23_A     32   35   68     12   35   43   49   51   52   53   55   56   57   60   61   62   67   68   70   71   72   73   74 
LCS_GDT     E    24_B     E    24_A     32   35   68     19   35   43   49   51   52   53   55   56   57   60   61   62   67   68   70   71   72   73   74 
LCS_GDT     G    25_B     G    25_A     32   35   68     19   35   43   49   51   52   53   55   56   57   60   61   62   67   68   70   71   72   73   74 
LCS_GDT     L    26_B     L    26_A     32   35   68     19   35   43   49   51   52   53   55   56   57   60   61   62   67   68   70   71   72   73   74 
LCS_GDT     K    27_B     K    27_A     32   35   68     19   35   43   49   51   52   53   55   56   57   60   61   62   67   68   70   71   72   73   74 
LCS_GDT     E    28_B     E    28_A     32   35   68     19   35   43   49   51   52   53   55   56   57   60   61   62   67   68   70   71   72   73   74 
LCS_GDT     V    29_B     V    29_A     32   35   68     11   35   43   49   51   52   53   55   56   57   60   61   62   67   68   70   71   72   73   74 
LCS_GDT     G    30_B     G    30_A     32   35   68     11   35   43   49   51   52   53   55   56   57   60   61   62   67   68   70   71   72   73   74 
LCS_GDT     P    31_B     P    31_A     32   35   68      3   23   43   49   51   52   53   55   56   57   60   61   62   67   68   70   71   72   73   74 
LCS_GDT     S    32_B     S    32_A     32   35   68      8   32   43   49   51   52   53   55   56   57   60   61   62   67   68   70   71   72   73   74 
LCS_GDT     W    33_B     W    33_A     32   35   68     11   35   43   49   51   52   53   55   56   57   60   61   62   67   68   70   71   72   73   74 
LCS_GDT     S    34_B     S    34_A     32   35   68     11   35   43   49   51   52   53   55   56   57   60   61   62   67   68   70   71   72   73   74 
LCS_GDT     K    35_B     K    35_A     32   35   68     19   35   43   49   51   52   53   55   56   57   60   61   62   67   68   70   71   72   73   74 
LCS_GDT     I    36_B     I    36_A     32   35   68     18   35   43   49   51   52   53   55   56   57   60   61   62   67   68   70   71   72   73   74 
LCS_GDT     L    37_B     L    37_A     32   35   68      4   31   43   49   51   52   53   55   56   57   60   61   62   67   68   70   71   72   73   74 
LCS_GDT     D    38_B     D    38_A     32   35   68      4    9   43   49   51   52   53   55   56   57   60   61   62   67   68   70   71   72   73   74 
LCS_GDT     L    39_B     L    39_A     32   35   68     18   35   43   49   51   52   53   55   56   57   60   61   62   67   68   70   71   72   73   74 
LCS_GDT     Y    40_B     Y    40_A     32   35   68      4   32   43   48   51   52   53   55   56   57   60   61   62   67   68   70   71   72   73   74 
LCS_GDT     G    41_B     G    41_A     32   35   68      3   20   43   48   51   52   53   55   56   57   60   61   62   67   68   70   71   72   73   74 
LCS_GDT     P    42_B     P    42_A     32   35   68      3    3   13   26   45   52   53   54   56   57   58   61   62   67   68   70   71   72   73   74 
LCS_GDT     G    43_B     G    43_A      5   35   68      3    3    5    5   28   51   53   55   56   57   60   61   62   67   68   70   71   72   73   74 
LCS_GDT     G    44_B     G    44_A      5   35   68      3    4    5    6   18   39   48   54   56   57   60   61   62   67   68   70   71   72   73   74 
LCS_GDT     K    45_B     K    45_A      5    7   68      3    4    5    5    6    9   12   18   26   33   45   54   59   62   63   64   70   71   73   74 
LCS_GDT     I    46_B     I    46_A      5    7   68      4    4    5    5    7   11   17   19   29   32   35   36   39   43   51   64   66   68   73   74 
LCS_GDT     T    47_B     T    47_A      5   23   68      4    4    5    6   15   24   34   44   54   57   60   61   62   67   68   70   71   72   73   74 
LCS_GDT     E    48_B     E    48_A     22   23   68      4    7   16   27   39   51   53   55   56   57   60   61   62   67   68   70   71   72   73   74 
LCS_GDT     N    49_B     N    49_A     22   23   68      4   10   33   49   51   52   53   55   56   57   60   61   62   67   68   70   71   72   73   74 
LCS_GDT     L    50_B     L    50_A     22   23   68      4   18   32   49   51   52   53   55   56   57   60   61   62   67   68   70   71   72   73   74 
LCS_GDT     K    51_B     K    51_A     22   23   68      4   17   30   49   51   52   53   55   56   57   60   61   62   67   68   70   71   72   73   74 
LCS_GDT     N    52_B     N    52_A     22   23   68      5   17   42   49   51   52   53   55   56   57   60   61   62   67   68   70   71   72   73   74 
LCS_GDT     R    53_B     R    53_A     22   23   68      7   35   43   49   51   52   53   55   56   57   60   61   62   67   68   70   71   72   73   74 
LCS_GDT     T    54_B     T    54_A     22   23   68     19   35   43   49   51   52   53   55   56   57   60   61   62   67   68   70   71   72   73   74 
LCS_GDT     Q    55_B     Q    55_A     22   23   68     19   35   43   49   51   52   53   55   56   57   60   61   62   67   68   70   71   72   73   74 
LCS_GDT     V    56_B     V    56_A     22   23   68     17   35   43   49   51   52   53   55   56   57   60   61   62   67   68   70   71   72   73   74 
LCS_GDT     Q    57_B     Q    57_A     22   23   68     18   35   43   49   51   52   53   55   56   57   60   61   62   67   68   70   71   72   73   74 
LCS_GDT     L    58_B     L    58_A     22   23   68     19   35   43   49   51   52   53   55   56   57   60   61   62   67   68   70   71   72   73   74 
LCS_GDT     K    59_B     K    59_A     22   23   68     19   35   43   49   51   52   53   55   56   57   60   61   62   67   68   70   71   72   73   74 
LCS_GDT     D    60_B     D    60_A     22   23   68     19   35   43   49   51   52   53   55   56   57   60   61   62   67   68   70   71   72   73   74 
LCS_GDT     K    61_B     K    61_A     22   23   68     19   35   43   49   51   52   53   55   56   57   60   61   62   67   68   70   71   72   73   74 
LCS_GDT     A    62_B     A    62_A     22   23   68     19   35   43   49   51   52   53   55   56   57   60   61   62   67   68   70   71   72   73   74 
LCS_GDT     R    63_B     R    63_A     22   23   68     15   35   43   49   51   52   53   55   56   57   60   61   62   67   68   70   71   72   73   74 
LCS_GDT     N    64_B     N    64_A     22   23   68     10   35   43   49   51   52   53   55   56   57   60   61   62   67   68   70   71   72   73   74 
LCS_GDT     W    65_B     W    65_A     22   23   68     10   23   40   49   51   52   53   55   56   57   60   61   62   67   68   70   71   72   73   74 
LCS_GDT     K    66_B     K    66_A     22   23   68      9   18   42   49   51   52   53   55   56   57   60   61   62   67   68   70   71   72   73   74 
LCS_GDT     L    67_B     L    67_A     22   23   68      9   25   42   49   51   52   53   55   56   57   60   61   62   67   68   70   71   72   73   74 
LCS_GDT     Q    68_B     Q    68_A     22   23   68      5   23   37   49   51   52   53   55   56   57   60   61   62   67   68   70   71   72   73   74 
LCS_GDT     Y    69_B     Y    69_A     22   23   68      5   14   25   46   51   52   53   55   56   57   60   61   62   67   68   70   71   72   73   74 
LCS_GDT     L    70_B     L    70_A      3   23   68      3    3    4    9   17   26   33   50   54   57   60   61   62   67   68   70   71   72   73   74 
LCS_GDT     K    71_B     K    71_A      6   23   68      4    5    8   13   25   36   43   50   55   57   60   61   62   67   68   70   71   72   73   74 
LCS_GDT     S    72_B     S    72_A      6   10   68      4    5    6    9   13   15   19   24   29   33   43   51   57   63   68   70   71   72   73   74 
LCS_GDT     G    73_B     G    73_A      6   12   68      4    5    6    9   13   15   19   24   26   32   38   46   50   56   58   65   69   72   73   74 
LCS_GDT     K    74_B     K    74_A      8   12   68      4    5    6   10   13   15   19   24   28   32   38   44   50   52   58   61   67   72   73   74 
LCS_GDT     P    75_B     P    75_A      8   12   68      4    7    8   10   13   15   19   24   29   32   38   47   50   52   58   62   67   72   73   74 
LCS_GDT     L    76_B     L    76_A      8   12   68      4    7    8   10   13   15   19   24   32   39   42   48   56   61   66   70   71   72   73   74 
LCS_GDT     P    77_B     P    77_A      8   12   68      5    7    8   10   14   20   25   30   37   47   54   60   62   67   68   70   71   72   73   74 
LCS_GDT     D    78_B     D    78_A      8   12   68      5    7    8   10   11   13   19   24   32   39   42   50   60   63   68   70   71   72   73   74 
LCS_GDT     Y    79_B     Y    79_A      8   12   65      5    7    8   10   13   15   19   23   28   34   44   55   62   67   68   70   71   72   73   74 
LCS_GDT     L    80_B     L    80_A      8   12   65      5    7    8   10   13   19   25   30   46   56   60   61   62   67   68   70   71   72   73   74 
LCS_GDT     I    81_B     I    81_A      8   12   65      5    7    8   10   11   19   25   27   36   47   54   60   62   67   68   70   71   72   73   74 
LCS_GDT     K    82_B     K    82_A      8   12   59      4    4    8   10   11   15   19   24   26   39   42   47   53   62   67   70   71   72   73   74 
LCS_GDT     V    83_B     V    83_A      5   12   56      4    4    7   10   11   14   18   25   29   38   47   50   61   67   68   70   71   72   73   74 
LCS_GDT     T    84_B     T    84_A      3   12   56      1    3    3   10   11   16   21   26   35   39   49   58   62   67   68   70   71   72   73   74 
LCS_GDT     G    85_B     G    85_A      3    4   56      0    3    7   10   17   20   27   35   44   54   58   61   62   67   68   70   71   72   73   74 
LCS_GDT     N    86_B     N    86_A      3    4   54      3    3    3    4    8   13   18   23   28   37   40   51   55   60   62   65   70   70   71   73 
LCS_GDT     L    87_B     L    87_A      3    3   41      3    3    3    4    4    5    5    7    9   10   12   13   26   42   51   56   59   64   66   66 
LCS_GDT     E    88_B     E    88_A      3    3   25      3    3    3    3    3    4    5   10   11   12   18   25   26   31   48   56   59   64   66   66 
LCS_AVERAGE  LCS_A:  44.53  (  24.18   29.58   79.84 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT     19     35     43     49     51     52     53     55     56     57     60     61     62     67     68     70     71     72     73     74 
GDT PERCENT_AT  22.89  42.17  51.81  59.04  61.45  62.65  63.86  66.27  67.47  68.67  72.29  73.49  74.70  80.72  81.93  84.34  85.54  86.75  87.95  89.16
GDT RMS_LOCAL    0.32   0.59   0.83   1.09   1.13   1.20   1.28   1.58   1.66   2.14   2.70   2.75   3.01   3.87   4.15   4.42   4.46   4.95   4.98   5.03
GDT RMS_ALL_AT   8.72   8.54   8.55   8.28   8.32   8.27   8.32   8.16   8.20   8.00   7.76   7.80   7.72   7.39   7.49   7.49   7.43   7.75   7.74   7.66

# Checking swapping
#   possible swapping detected:  E    28_B      E    28_A
#   possible swapping detected:  Y    40_B      Y    40_A
#   possible swapping detected:  Y    79_B      Y    79_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    R     6_B      R     6_A    25.591     0    0.709   1.636    26.166    0.000    0.000
LGA    K     7_B      K     7_A    20.118     0    0.128   1.246    22.791    0.000    0.000
LGA    P     8_B      P     8_A    12.888     0    0.087   0.123    15.435    0.000    0.000
LGA    K     9_B      K     9_A    10.094     0    0.093   1.105    12.378    6.071    2.698
LGA    A    10_B      A    10_A     5.169     0    0.138   0.204     7.098   30.714   28.000
LGA    K    11_B      K    11_A     0.943     0    0.164   1.370     7.977   79.643   50.529
LGA    R    12_B      R    12_A     1.407     0    0.182   1.431     5.959   85.952   63.203
LGA    T    13_B      T    13_A     1.248     0    0.076   1.122     2.802   85.952   78.095
LGA    W    14_B      W    14_A     0.638     0    0.092   0.191     1.156   90.476   87.245
LGA    S    15_B      S    15_A     0.879     0    0.045   0.062     1.081   90.476   88.968
LGA    K    16_B      K    16_A     1.097     0    0.046   1.014     4.741   83.690   67.725
LGA    E    17_B      E    17_A     0.951     0    0.031   1.132     5.174   88.214   69.471
LGA    E    18_B      E    18_A     0.458     0    0.032   0.161     1.137   97.619   92.646
LGA    E    19_B      E    19_A     0.571     0    0.042   0.201     0.829   92.857   92.593
LGA    E    20_B      E    20_A     0.733     0    0.057   0.613     3.286   90.476   76.561
LGA    A    21_B      A    21_A     0.632     0    0.035   0.043     0.682   90.476   90.476
LGA    L    22_B      L    22_A     0.354     0    0.061   0.082     0.571   95.238   96.429
LGA    V    23_B      V    23_A     1.108     0    0.037   0.081     1.699   83.690   81.497
LGA    E    24_B      E    24_A     1.016     0    0.040   0.367     1.191   88.214   86.455
LGA    G    25_B      G    25_A     0.379     0    0.038   0.038     0.642   97.619   97.619
LGA    L    26_B      L    26_A     0.532     0    0.038   0.340     1.596   92.857   90.655
LGA    K    27_B      K    27_A     0.920     0    0.165   0.755     3.749   83.810   72.063
LGA    E    28_B      E    28_A     0.696     0    0.068   0.834     2.298   90.476   81.799
LGA    V    29_B      V    29_A     0.466     0    0.235   1.198     3.177   97.619   86.190
LGA    G    30_B      G    30_A     0.810     0    0.065   0.065     0.970   92.857   92.857
LGA    P    31_B      P    31_A     1.551     0    0.193   0.470     1.936   79.286   77.755
LGA    S    32_B      S    32_A     1.136     0    0.161   0.177     1.817   81.429   80.000
LGA    W    33_B      W    33_A     0.748     0    0.067   1.160     7.796   88.214   63.061
LGA    S    34_B      S    34_A     0.944     0    0.639   0.596     3.602   76.429   79.603
LGA    K    35_B      K    35_A     0.720     0    0.095   0.686     3.268   90.476   81.270
LGA    I    36_B      I    36_A     0.686     0    0.067   0.172     1.195   90.595   88.274
LGA    L    37_B      L    37_A     1.300     0    0.103   1.413     2.725   77.381   74.286
LGA    D    38_B      D    38_A     1.493     0    0.023   0.098     2.507   79.286   72.083
LGA    L    39_B      L    39_A     0.640     0    0.119   0.129     1.046   88.214   91.726
LGA    Y    40_B      Y    40_A     2.043     0    0.253   0.474     2.551   64.881   67.579
LGA    G    41_B      G    41_A     2.314     0    0.187   0.187     3.102   59.167   59.167
LGA    P    42_B      P    42_A     4.091     0    0.645   0.684     6.317   46.786   37.415
LGA    G    43_B      G    43_A     3.908     0    0.537   0.537     3.908   50.119   50.119
LGA    G    44_B      G    44_A     6.478     0    0.213   0.213     9.373   13.690   13.690
LGA    K    45_B      K    45_A    12.360     0    0.458   0.907    15.834    0.119    0.053
LGA    I    46_B      I    46_A    14.531     0    0.552   1.038    19.815    0.000    0.000
LGA    T    47_B      T    47_A     8.520     0    0.126   0.258    11.046    6.548    4.830
LGA    E    48_B      E    48_A     4.043     0    0.389   1.132     5.084   46.310   45.026
LGA    N    49_B      N    49_A     2.333     0    0.286   0.452     3.622   62.857   55.595
LGA    L    50_B      L    50_A     2.064     0    0.487   1.336     4.775   64.881   57.976
LGA    K    51_B      K    51_A     2.111     0    0.178   1.150     6.758   70.833   48.519
LGA    N    52_B      N    52_A     1.472     0    0.200   1.066     5.641   81.548   63.690
LGA    R    53_B      R    53_A     0.520     0    0.021   0.258     0.997   90.476   92.208
LGA    T    54_B      T    54_A     0.706     0    0.047   0.064     0.796   92.857   91.837
LGA    Q    55_B      Q    55_A     1.206     0    0.038   0.129     1.935   83.690   78.624
LGA    V    56_B      V    56_A     1.359     0    0.051   0.078     1.564   81.429   80.204
LGA    Q    57_B      Q    57_A     0.963     0    0.031   0.779     1.852   88.214   87.566
LGA    L    58_B      L    58_A     0.642     0    0.039   1.170     2.677   90.476   83.095
LGA    K    59_B      K    59_A     0.806     0    0.043   1.095     5.507   90.476   75.397
LGA    D    60_B      D    60_A     0.912     0    0.070   0.153     1.471   90.476   87.083
LGA    K    61_B      K    61_A     1.014     0    0.032   0.598     2.138   85.952   83.598
LGA    A    62_B      A    62_A     0.816     0    0.035   0.041     0.929   90.476   90.476
LGA    R    63_B      R    63_A     0.736     0    0.037   0.241     1.117   90.476   88.831
LGA    N    64_B      N    64_A     0.992     0    0.033   0.133     1.209   85.952   83.690
LGA    W    65_B      W    65_A     1.536     0    0.038   1.258     4.951   75.000   64.864
LGA    K    66_B      K    66_A     1.533     0    0.043   0.955     5.799   77.143   63.386
LGA    L    67_B      L    67_A     1.079     0    0.069   0.932     3.310   81.429   78.631
LGA    Q    68_B      Q    68_A     1.977     0    0.148   1.121     2.814   68.810   69.418
LGA    Y    69_B      Y    69_A     3.045     0    0.384   1.092     5.651   39.881   46.429
LGA    L    70_B      L    70_A     8.994     0    0.615   0.988    13.182    7.024    3.512
LGA    K    71_B      K    71_A     7.743     0    0.041   0.820    10.227    3.333   10.635
LGA    S    72_B      S    72_A    11.878     0    0.132   0.735    15.718    0.119    0.079
LGA    G    73_B      G    73_A    16.597     0    0.198   0.198    19.560    0.000    0.000
LGA    K    74_B      K    74_A    17.933     0    0.082   0.962    21.711    0.000    0.000
LGA    P    75_B      P    75_A    18.971     0    0.036   0.109    21.651    0.000    0.000
LGA    L    76_B      L    76_A    15.237     0    0.092   1.164    16.668    0.000    0.000
LGA    P    77_B      P    77_A    12.806     0    0.039   0.095    13.181    0.000    0.000
LGA    D    78_B      D    78_A    14.058     0    0.049   0.736    15.863    0.000    0.000
LGA    Y    79_B      Y    79_A    11.746     0    0.265   1.266    12.299    0.000    7.698
LGA    L    80_B      L    80_A    10.056     0    0.243   1.021    10.732    0.119    0.476
LGA    I    81_B      I    81_A    11.738     0    0.036   1.441    15.588    0.000    0.000
LGA    K    82_B      K    82_A    13.876     0    0.275   0.375    21.407    0.000    0.000
LGA    V    83_B      V    83_A    11.905     0    0.626   1.321    12.158    0.000    0.000
LGA    T    84_B      T    84_A    11.547     0    0.582   1.323    13.620    0.357    0.204
LGA    G    85_B      G    85_A    10.779     0    0.602   0.602    11.433    0.119    0.119
LGA    N    86_B      N    86_A    15.036     0    0.571   0.723    19.117    0.000    0.000
LGA    L    87_B      L    87_A    16.781     0    0.062   0.555    19.819    0.000    0.000
LGA    E    88_B      E    88_A    16.171     0    0.066   0.686    17.573    0.000    0.000

# 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):     7.104          6.994                  7.640           55.040   51.248

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  102   83    4.0     55    1.58    62.952    55.414     3.266

LGA_LOCAL      RMSD:   1.584  Number of atoms:   55  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   8.158  Number of assigned atoms:   83 
Std_ASGN_ATOMS RMSD:   7.104  Standard rmsd on all 83 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.363647 * X  +  -0.912479 * Y  +   0.187465 * Z  +   9.667372
  Y_new =  -0.706276 * X  +   0.138851 * Y  +  -0.694187 * Z  +   8.247097
  Z_new =   0.607401 * X  +  -0.384841 * Y  +  -0.694955 * Z  +  14.094357 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.046276 -0.652785 -2.635864   [DEG: -117.2430  -37.4018 -151.0239 ]
ZXZ:  0.263758  2.339153  2.135546   [DEG:   15.1122  134.0236  122.3578 ]
 
# END of job
