
#######################################################
#                                                     #
#                        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   79 (  669),  selected   79 , name one
# Molecule2: number of CA atoms  114 (  953),  selected   79 , 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:    47       6_A - 52_A        4.91    14.40
  LCS_AVERAGE:     31.15

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    28       6_A - 33_A        1.83    14.49
  LCS_AVERAGE:     12.94

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    20       6_A - 25_A        0.97    14.93
  LCS_AVERAGE:      7.83

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   79
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     E     6_A     E     6_A     20   28   47     10   18   21   24   27   29   31   35   38   39   40   42   44   44   46   48   50   52   56   58 
LCS_GDT     R     7_A     R     7_A     20   28   47     10   18   21   24   27   29   31   34   38   39   40   42   44   44   46   48   50   52   56   58 
LCS_GDT     F     8_A     F     8_A     20   28   47     10   18   21   24   27   29   32   35   38   39   40   42   44   44   46   48   50   52   56   58 
LCS_GDT     R     9_A     R     9_A     20   28   47     10   18   21   24   27   29   32   35   38   39   40   42   44   44   46   48   50   52   56   58 
LCS_GDT     A    10_A     A    10_A     20   28   47     10   18   21   24   27   29   32   35   38   39   40   42   44   44   46   48   50   52   56   58 
LCS_GDT     Y    11_A     Y    11_A     20   28   47     10   18   21   24   27   29   32   35   38   39   40   42   44   44   46   48   50   52   56   58 
LCS_GDT     Y    12_A     Y    12_A     20   28   47     10   18   21   24   27   29   32   35   38   39   40   42   44   44   46   48   50   52   56   58 
LCS_GDT     E    13_A     E    13_A     20   28   47     10   18   21   24   27   29   32   35   38   39   40   42   44   44   46   48   50   52   56   58 
LCS_GDT     R    14_A     R    14_A     20   28   47     10   18   21   24   27   29   32   35   38   39   40   42   44   44   46   48   50   52   56   58 
LCS_GDT     Y    15_A     Y    15_A     20   28   47     10   18   21   24   27   29   32   35   38   39   40   42   44   44   46   48   50   52   56   58 
LCS_GDT     F    16_A     F    16_A     20   28   47     10   18   21   24   27   29   32   35   38   39   40   42   44   44   46   48   50   52   56   58 
LCS_GDT     A    17_A     A    17_A     20   28   47     10   18   21   24   27   29   32   35   38   39   40   42   44   44   46   48   50   52   56   58 
LCS_GDT     A    18_A     A    18_A     20   28   47     10   18   21   24   27   29   32   35   38   39   40   42   44   44   46   48   50   52   56   58 
LCS_GDT     L    19_A     L    19_A     20   28   47     10   18   21   24   27   29   32   35   38   39   40   42   44   44   46   48   50   52   56   58 
LCS_GDT     A    20_A     A    20_A     20   28   47     10   18   21   24   27   29   32   35   38   39   40   42   44   44   46   48   50   52   56   58 
LCS_GDT     A    21_A     A    21_A     20   28   47     10   18   21   24   27   29   32   35   38   39   40   42   44   44   46   48   50   52   56   58 
LCS_GDT     R    22_A     R    22_A     20   28   47      4   18   21   24   27   29   32   35   38   39   40   42   44   44   46   48   50   52   56   58 
LCS_GDT     D    23_A     D    23_A     20   28   47      4    7   12   24   27   29   32   35   38   39   40   42   44   44   46   48   50   52   56   58 
LCS_GDT     Y    24_A     Y    24_A     20   28   47      4    7   10   24   27   29   32   35   38   39   40   42   44   44   46   48   50   52   56   58 
LCS_GDT     E    25_A     E    25_A     20   28   47      4   18   21   24   27   29   32   35   38   39   40   42   44   44   46   48   50   52   56   58 
LCS_GDT     T    26_A     T    26_A      9   28   47      4    7   14   24   27   29   32   35   38   39   40   42   44   44   46   48   50   52   56   58 
LCS_GDT     L    27_A     L    27_A      9   28   47      4    7   10   24   27   29   32   35   38   39   40   42   44   44   46   48   50   52   56   58 
LCS_GDT     L    28_A     L    28_A      9   28   47      4    7   21   24   27   29   32   35   38   39   40   42   44   44   46   48   50   52   56   58 
LCS_GDT     E    29_A     E    29_A      9   28   47      4   12   13   24   27   29   32   35   38   39   40   42   44   44   46   48   50   52   56   58 
LCS_GDT     I    30_A     I    30_A      9   28   47      4   12   21   24   27   29   32   35   38   39   40   42   44   44   46   48   50   52   56   58 
LCS_GDT     L    31_A     L    31_A      9   28   47      4   12   21   24   27   29   32   35   38   39   40   42   44   44   46   48   50   52   56   58 
LCS_GDT     R    32_A     R    32_A      4   28   47      8   15   21   24   27   29   32   35   38   39   40   42   44   44   46   48   50   52   56   58 
LCS_GDT     E    33_A     E    33_A      4   28   47      4    4    4   11   15   25   31   35   38   39   40   42   44   44   46   48   50   52   56   58 
LCS_GDT     F    34_A     F    34_A      5    7   47      4    5    5    5    7    9   17   23   28   37   38   42   44   44   46   48   49   50   54   58 
LCS_GDT     G    35_A     G    35_A      5    7   47      4    5    5   14   21   25   32   35   38   39   40   42   44   44   46   48   50   52   56   58 
LCS_GDT     V    36_A     V    36_A      5    7   47      3    5    6   14   21   25   32   35   38   39   40   42   44   44   46   48   50   52   56   58 
LCS_GDT     A    37_A     A    37_A      5    7   47      3    5    5    7    8   13   24   31   36   39   40   42   44   44   46   48   50   52   56   58 
LCS_GDT     K    38_A     K    38_A      5    7   47      3    5    5    7   16   25   32   35   38   39   40   42   44   44   46   48   50   52   56   58 
LCS_GDT     L    39_A     L    39_A      4    7   47      3    4    5    7    8   18   30   35   38   39   40   42   44   44   46   48   50   52   56   58 
LCS_GDT     V    40_A     V    40_A      4    7   47      3    4    7   11   20   27   32   35   38   39   40   42   44   44   46   48   50   52   56   58 
LCS_GDT     L    41_A     L    41_A      4    5   47      3    3    4   22   27   29   31   33   38   39   40   42   44   44   46   48   50   52   56   58 
LCS_GDT     N    42_A     N    42_A      4    7   47      3    4   21   23   27   29   32   35   38   39   40   42   44   44   46   48   50   52   56   58 
LCS_GDT     G    43_A     G    43_A      4    7   47      5   12   16   23   27   29   32   35   38   39   40   42   44   44   46   48   50   52   56   58 
LCS_GDT     R    44_A     R    44_A      3    7   47      3    3    5    7    9   22   30   33   38   39   40   42   44   44   46   48   50   52   56   58 
LCS_GDT     E    45_A     E    45_A      4    7   47      3    4    4    6    7    9   12   15   23   28   34   42   44   44   46   48   50   52   56   58 
LCS_GDT     F    46_A     F    46_A      4    7   47      3    4    5    6    7    9   12   14   18   23   27   34   41   44   46   48   49   52   56   58 
LCS_GDT     A    47_A     A    47_A      4    7   47      3    4    5    6    8    9   12   14   17   23   24   29   37   43   46   47   49   50   51   58 
LCS_GDT     S    48_A     S    48_A      4    7   47      3    4    5    6    7    9   12   14   17   18   19   21   21   32   34   41   46   49   50   52 
LCS_GDT     P    49_A     P    49_A      7    7   47      6    6    6    7    7    9   12   14   17   18   19   21   21   23   24   25   27   33   46   49 
LCS_GDT     E    50_A     E    50_A      7    7   47      6    6    6    7    8    9   12   14   17   18   19   21   31   42   45   48   49   51   56   58 
LCS_GDT     E    51_A     E    51_A      7    7   47      6    6    6    7    8    9   15   23   33   36   40   42   44   44   46   48   50   52   56   58 
LCS_GDT     A    52_A     A    52_A      7    7   47      6    6    6    7    8    9   12   14   17   21   35   39   44   44   46   48   50   52   56   58 
LCS_GDT     V    53_A     V    53_A      7    7   24      6    6    6    7    7    7    8   11   17   18   19   21   21   25   29   33   40   47   54   58 
LCS_GDT     Q    54_A     Q    54_A      7    7   24      6    6    6    7    7    7    9   11   17   18   21   24   32   40   44   46   50   52   56   58 
LCS_GDT     W    55_A     W    55_A      7    7   24      3    4    6    7    9   11   13   28   29   31   34   38   40   43   46   48   50   52   56   58 
LCS_GDT     A    56_A     A    56_A      5    6   24      5    5    5    6    8    9   12   14   18   20   21   24   26   30   37   42   50   52   56   58 
LCS_GDT     R    57_A     R    57_A      5    6   24      5    5    5    5    9   11   13   15   18   20   21   24   26   37   40   45   50   52   56   58 
LCS_GDT     D    58_A     D    58_A      5    6   24      5    5    5    5    6    7    9   11   18   20   21   24   26   30   41   44   49   52   56   58 
LCS_GDT     T    59_A     T    59_A      5    6   24      5    5    5    5    7   10   13   15   18   20   21   24   26   30   41   44   50   52   56   58 
LCS_GDT     G    60_A     G    60_A      5    6   24      5    5    5    5    9   11   13   15   18   20   21   24   32   37   41   45   50   52   56   58 
LCS_GDT     L    61_A     L    61_A      3    3   24      3    4    4    4    4    6    9   11   18   18   21   24   26   30   41   44   50   52   56   58 
LCS_GDT     R    62_A     R    62_A      3    5   23      3    4    4    4    4    6    9   11   14   18   19   21   24   30   37   39   45   52   56   58 
LCS_GDT     F    63_A     F    63_A      3    5   22      3    3    4    4    4    6    9   11   15   18   19   20   24   27   30   36   45   50   56   58 
LCS_GDT     L    64_A     L    64_A      3    5   22      3    3    4    4    4    5    5    8   15   18   19   19   24   27   32   38   45   49   56   58 
LCS_GDT     R    65_A     R    65_A      3    5   22      3    3    4    4    4    5    7   11   15   18   19   20   23   26   30   33   37   43   46   54 
LCS_GDT     L    66_A     L    66_A      3    5   22      3    3    4    4    4    6    7   11   15   18   19   20   23   26   29   32   35   38   40   46 
LCS_GDT     I    67_A     I    67_A      3    4   22      3    3    3    4    4    4    5    7    8   13   17   20   23   26   29   31   35   38   40   46 
LCS_GDT     R    68_A     R    68_A      3    4   22      3    3    3    4    4    4    4    7   10   12   17   20   23   26   29   31   35   38   40   46 
LCS_GDT     E    69_A     E    69_A      3    4   15      0    3    3    4    6    6    7    9   11   12   17   20   23   26   29   31   33   36   39   40 
LCS_GDT     R    70_A     R    70_A      4    5   14      3    4    4    5    6    6    7    9   11   11   15   19   23   26   29   31   33   35   39   40 
LCS_GDT     Y    71_A     Y    71_A      4    5   14      3    4    4    4    5    6    7    9   11   12   15   19   23   26   29   31   33   35   39   40 
LCS_GDT     E    72_A     E    72_A      4    5   14      3    4    4    5    6    6    7    9   12   16   16   19   23   26   28   31   33   35   39   40 
LCS_GDT     D    73_A     D    73_A      4   12   14      3    4    4    6   11   12   12   13   13   16   16   19   23   26   28   31   33   35   39   40 
LCS_GDT     G    74_A     G    74_A      6   12   14      5    5    6    9   11   12   12   13   13   16   16   19   23   26   28   31   33   35   39   40 
LCS_GDT     V    75_A     V    75_A      6   12   14      5    5    6    9   11   12   12   13   13   16   17   20   23   26   29   31   33   36   39   42 
LCS_GDT     Y    76_A     Y    76_A      6   12   14      5    5    6    9   11   12   12   13   13   16   18   20   24   26   30   34   39   43   50   54 
LCS_GDT     T    77_A     T    77_A      6   12   14      5    5    6    9   11   12   12   13   14   16   18   21   24   27   37   42   46   51   56   58 
LCS_GDT     V    78_A     V    78_A      6   12   14      5    5    6    9   11   12   14   15   18   29   34   38   42   43   46   48   50   52   56   58 
LCS_GDT     E    79_A     E    79_A      6   12   14      3    5    6    9   11   26   29   33   34   39   40   42   44   44   46   48   50   52   56   58 
LCS_GDT     D    80_A     D    80_A      6   12   14      4    5    6    9   11   24   32   35   38   39   40   42   44   44   46   48   49   50   53   55 
LCS_GDT     I    81_A     I    81_A      5   12   14      4    5    6    8    8   14   16   23   31   35   38   39   41   43   46   47   49   49   50   51 
LCS_GDT     V    82_A     V    82_A      5   12   14      3    5    6    9   11   12   14   16   17   20   24   27   31   34   36   43   43   45   47   50 
LCS_GDT     S    83_A     S    83_A      5   12   14      4    5    6    9   11   12   12   13   14   16   17   18   20   21   23   27   32   32   35   37 
LCS_GDT     R    84_A     R    84_A      5   12   14      4    5    6    9   11   12   12   12   13   16   16   17   17   17   18   19   20   21   25   27 
LCS_AVERAGE  LCS_A:  17.30  (   7.83   12.94   31.15 )

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     10     18     21     24     27     29     32     35     38     39     40     42     44     44     46     48     50     52     56     58 
GDT PERCENT_AT   8.77  15.79  18.42  21.05  23.68  25.44  28.07  30.70  33.33  34.21  35.09  36.84  38.60  38.60  40.35  42.11  43.86  45.61  49.12  50.88
GDT RMS_LOCAL    0.26   0.66   0.95   1.13   1.32   1.53   2.30   2.52   2.71   2.82   2.92   3.27   3.63   3.63   4.01   4.43   5.47   5.77   6.67   6.77
GDT RMS_ALL_AT  15.24  14.96  14.72  14.67  14.60  14.57  14.55  14.53  14.55  14.47  14.49  14.43  14.40  14.40  14.56  14.16  13.54  13.45  12.88  12.92

# Checking swapping
#   possible swapping detected:  Y    15_A      Y    15_A
#   possible swapping detected:  D    23_A      D    23_A
#   possible swapping detected:  Y    24_A      Y    24_A
#   possible swapping detected:  E    33_A      E    33_A
#   possible swapping detected:  F    34_A      F    34_A
#   possible swapping detected:  E    45_A      E    45_A
#   possible swapping detected:  F    46_A      F    46_A
#   possible swapping detected:  E    50_A      E    50_A
#   possible swapping detected:  E    69_A      E    69_A
#   possible swapping detected:  Y    71_A      Y    71_A
#   possible swapping detected:  E    72_A      E    72_A
#   possible swapping detected:  D    73_A      D    73_A
#   possible swapping detected:  Y    76_A      Y    76_A
#   possible swapping detected:  D    80_A      D    80_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     6_A      E     6_A     2.964     0    0.077   1.557     4.813   55.357   47.407
LGA    R     7_A      R     7_A     3.593     0    0.034   1.510    12.059   51.905   28.182
LGA    F     8_A      F     8_A     2.255     0    0.029   0.344     5.257   69.048   52.165
LGA    R     9_A      R     9_A     1.260     0    0.041   0.959     4.831   81.429   72.468
LGA    A    10_A      A    10_A     1.923     0    0.040   0.050     2.354   72.857   71.238
LGA    Y    11_A      Y    11_A     1.486     0    0.036   0.801     5.076   79.286   59.722
LGA    Y    12_A      Y    12_A     1.093     0    0.070   1.345    10.686   83.690   45.675
LGA    E    13_A      E    13_A     1.424     0    0.019   0.683     3.234   81.429   73.280
LGA    R    14_A      R    14_A     1.192     0    0.019   1.070     7.899   85.952   59.481
LGA    Y    15_A      Y    15_A     0.850     0    0.039   0.095     2.434   88.214   78.056
LGA    F    16_A      F    16_A     0.849     0    0.056   1.268     8.161   88.214   53.377
LGA    A    17_A      A    17_A     0.814     0    0.037   0.042     1.177   88.214   88.667
LGA    A    18_A      A    18_A     1.236     0    0.032   0.055     1.843   79.405   79.810
LGA    L    19_A      L    19_A     1.838     0    0.057   0.085     2.346   68.810   69.821
LGA    A    20_A      A    20_A     2.000     0    0.036   0.045     2.242   68.810   69.619
LGA    A    21_A      A    21_A     1.502     0    0.131   0.143     1.709   79.405   78.095
LGA    R    22_A      R    22_A     1.525     0    0.091   1.327     7.062   75.000   54.026
LGA    D    23_A      D    23_A     2.212     0    0.286   0.542     3.891   68.810   56.905
LGA    Y    24_A      Y    24_A     3.357     0    0.095   1.357    14.913   55.357   22.540
LGA    E    25_A      E    25_A     2.925     0    0.088   1.283     4.080   59.048   52.804
LGA    T    26_A      T    26_A     2.313     0    0.061   0.114     3.326   62.857   60.476
LGA    L    27_A      L    27_A     2.002     0    0.018   1.374     3.428   66.786   67.024
LGA    L    28_A      L    28_A     2.121     0    0.217   1.359     3.882   62.857   62.143
LGA    E    29_A      E    29_A     2.945     0    0.016   0.739     5.625   57.143   42.646
LGA    I    30_A      I    30_A     1.584     0    0.188   1.185     3.726   77.143   70.417
LGA    L    31_A      L    31_A     1.858     0    0.600   0.942     3.999   63.452   61.488
LGA    R    32_A      R    32_A     2.582     0    0.606   1.372    10.547   71.310   31.775
LGA    E    33_A      E    33_A     4.627     0    0.029   1.320     7.609   28.214   21.217
LGA    F    34_A      F    34_A     7.683     0    0.289   1.421    15.186   14.643    5.455
LGA    G    35_A      G    35_A     3.872     0    0.549   0.549     5.792   34.762   34.762
LGA    V    36_A      V    36_A     4.195     0    0.111   1.063     6.604   45.119   33.197
LGA    A    37_A      A    37_A     5.316     0    0.678   0.617     7.860   32.976   27.810
LGA    K    38_A      K    38_A     3.628     0    0.147   0.992     4.681   37.262   45.979
LGA    L    39_A      L    39_A     4.422     0    0.662   1.395     7.599   38.690   32.262
LGA    V    40_A      V    40_A     2.850     0    0.614   1.100     4.152   48.571   51.293
LGA    L    41_A      L    41_A     4.933     0    0.607   1.047     9.692   30.238   19.107
LGA    N    42_A      N    42_A     3.241     0    0.345   0.368     5.261   48.571   40.833
LGA    G    43_A      G    43_A     1.357     0    0.517   0.517     2.110   77.262   77.262
LGA    R    44_A      R    44_A     5.758     0    0.654   0.874    17.419   20.000    7.749
LGA    E    45_A      E    45_A     8.818     0    0.642   1.080    13.780    3.690    1.640
LGA    F    46_A      F    46_A    10.043     0    0.163   1.106    10.186    0.476    3.420
LGA    A    47_A      A    47_A    11.076     0    0.649   0.591    13.976    0.000    0.000
LGA    S    48_A      S    48_A    13.364     0    0.062   0.752    14.059    0.000    0.000
LGA    P    49_A      P    49_A    15.378     0    0.639   0.635    18.069    0.000    0.000
LGA    E    50_A      E    50_A    12.364     0    0.052   1.408    14.506    0.000    0.000
LGA    E    51_A      E    51_A     6.910     0    0.075   0.981     8.625    9.048   18.201
LGA    A    52_A      A    52_A     9.053     0    0.111   0.112    10.829    1.548    1.238
LGA    V    53_A      V    53_A    14.273     0    0.222   0.261    18.170    0.000    0.000
LGA    Q    54_A      Q    54_A    12.678     0    0.587   1.165    18.863    0.000    0.000
LGA    W    55_A      W    55_A    10.313     0    0.596   1.360    13.412    0.000    1.735
LGA    A    56_A      A    56_A    14.557     0    0.553   0.564    15.299    0.000    0.000
LGA    R    57_A      R    57_A    14.299     0    0.049   1.194    19.826    0.000    0.000
LGA    D    58_A      D    58_A    16.065     0    0.031   0.120    17.665    0.000    0.000
LGA    T    59_A      T    59_A    16.267     0    0.183   0.194    16.895    0.000    0.000
LGA    G    60_A      G    60_A    14.461     0    0.369   0.369    14.876    0.000    0.000
LGA    L    61_A      L    61_A    15.665     0    0.608   0.697    17.493    0.000    0.000
LGA    R    62_A      R    62_A    19.339     0    0.606   1.361    31.617    0.000    0.000
LGA    F    63_A      F    63_A    18.871     0    0.590   0.603    20.465    0.000    0.000
LGA    L    64_A      L    64_A    19.472     0    0.051   0.411    20.780    0.000    0.000
LGA    R    65_A      R    65_A    23.908     0    0.555   1.539    36.419    0.000    0.000
LGA    L    66_A      L    66_A    26.414     0    0.640   1.387    30.942    0.000    0.000
LGA    I    67_A      I    67_A    26.043     0    0.042   0.633    27.502    0.000    0.000
LGA    R    68_A      R    68_A    26.270     0    0.632   1.421    33.897    0.000    0.000
LGA    E    69_A      E    69_A    30.097     0    0.655   1.155    33.537    0.000    0.000
LGA    R    70_A      R    70_A    33.279     0    0.682   1.278    36.358    0.000    0.000
LGA    Y    71_A      Y    71_A    32.277     0    0.198   1.250    35.060    0.000    0.000
LGA    E    72_A      E    72_A    36.231     0    0.046   1.120    39.248    0.000    0.000
LGA    D    73_A      D    73_A    36.986     0    0.358   1.277    42.769    0.000    0.000
LGA    G    74_A      G    74_A    31.062     0    0.468   0.468    33.059    0.000    0.000
LGA    V    75_A      V    75_A    26.724     0    0.178   1.107    29.080    0.000    0.000
LGA    Y    76_A      Y    76_A    19.708     0    0.024   1.384    22.173    0.000    0.000
LGA    T    77_A      T    77_A    16.260     0    0.035   0.056    20.275    0.000    0.000
LGA    V    78_A      V    78_A     8.983     0    0.135   0.160    11.750    2.262    7.211
LGA    E    79_A      E    79_A     5.491     0    0.630   1.205     8.116   33.214   21.481
LGA    D    80_A      D    80_A     3.594     0    0.094   1.112     8.582   42.738   25.655
LGA    I    81_A      I    81_A     9.269     0    0.093   0.704    12.957    2.857    1.786
LGA    V    82_A      V    82_A    15.159     0    0.164   1.079    17.198    0.000    0.000
LGA    S    83_A      S    83_A    21.407     0    0.189   0.527    23.762    0.000    0.000
LGA    R    84_A      R    84_A    27.254     0    0.039   1.104    29.380    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       79     316    316  100.00     669    669  100.00               114
SUMMARY(RMSD_GDC):    12.177         12.134                 13.094           21.877   18.321

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   79  114    4.0     35    2.52    27.412    24.471     1.338

LGA_LOCAL      RMSD:   2.516  Number of atoms:   35  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  14.533  Number of assigned atoms:   79 
Std_ASGN_ATOMS RMSD:  12.177  Standard rmsd on all 79 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.350661 * X  +   0.703650 * Y  +   0.617992 * Z  +  -8.193856
  Y_new =   0.876269 * X  +  -0.479366 * Y  +   0.048598 * Z  + -12.328080
  Z_new =   0.330440 * X  +   0.524486 * Y  +  -0.784681 * Z  +   4.903501 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.190139 -0.336770  2.552387   [DEG:   68.1900  -19.2955  146.2410 ]
ZXZ:  1.649273  2.472978  0.562206   [DEG:   94.4964  141.6912   32.2120 ]
 
# END of job
