
#######################################################
#                                                     #
#                        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   82 (  674),  selected   79 , name one
# Molecule2: number of CA atoms   79 (  632),  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:    65       3_A - 67_A        4.59    21.08
  LCS_AVERAGE:     70.79

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    37      22_A - 58_A        1.87    21.82
  LCS_AVERAGE:     32.38

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    27      22_A - 48_A        0.88    21.34
  LONGEST_CONTINUOUS_SEGMENT:    27      23_A - 49_A        0.98    21.33
  LCS_AVERAGE:     20.53

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     L     3_A     L     3_A     14   16   65      6   15   31   42   45   49   51   53   54   55   57   58   60   62   62   62   62   63   63   64 
LCS_GDT     L     4_A     L     4_A     14   16   65      6   15   31   42   45   49   51   53   54   55   57   58   60   62   62   62   62   63   63   64 
LCS_GDT     L     5_A     L     5_A     14   16   65      6   15   31   42   45   49   51   53   54   55   57   58   60   62   62   62   62   63   63   64 
LCS_GDT     C     6_A     C     6_A     14   16   65     16   26   31   42   45   49   51   53   54   55   57   58   60   62   62   62   62   63   63   64 
LCS_GDT     P     7_A     P     7_A     14   16   65     16   26   31   42   45   49   51   53   54   55   57   58   60   62   62   62   62   63   63   64 
LCS_GDT     N     8_A     N     8_A     14   16   65      6   13   28   42   45   49   51   53   54   55   57   58   60   62   62   62   62   63   63   64 
LCS_GDT     C     9_A     C     9_A     14   16   65      4   13   31   42   45   49   51   53   54   55   57   58   60   62   62   62   62   63   63   64 
LCS_GDT     Q    10_A     Q    10_A     14   16   65      4   13   28   42   45   49   51   53   54   55   57   58   60   62   62   62   62   63   63   64 
LCS_GDT     V    11_A     V    11_A     14   16   65      4   13   28   42   45   49   51   53   54   55   57   58   60   62   62   62   62   63   63   64 
LCS_GDT     G    12_A     G    12_A     14   32   65      4   13   31   42   45   49   51   53   54   55   57   58   60   62   62   62   62   63   63   64 
LCS_GDT     M    13_A     M    13_A     14   33   65      9   25   31   42   45   49   51   53   54   55   57   58   60   62   62   62   62   63   63   64 
LCS_GDT     R    14_A     R    14_A     14   33   65      5   18   28   36   41   47   51   53   54   55   57   58   60   62   62   62   62   63   63   64 
LCS_GDT     E    15_A     E    15_A     14   33   65      3   21   31   42   45   49   51   53   54   55   57   58   60   62   62   62   62   63   63   64 
LCS_GDT     V    16_A     V    16_A     14   33   65      3   17   31   38   45   49   51   53   54   55   57   58   60   62   62   62   62   63   63   64 
LCS_GDT     E    17_A     E    17_A      9   33   65      5   12   25   36   44   49   51   53   54   55   57   58   60   62   62   62   62   63   63   64 
LCS_GDT     R    18_A     R    18_A      9   33   65      5    8   13   18   22   38   43   46   51   55   57   58   60   62   62   62   62   63   63   64 
LCS_GDT     R    19_A     R    19_A      9   33   65      3    8   12   15   18   24   34   40   44   47   52   56   60   62   62   62   62   63   63   64 
LCS_GDT     G    20_A     G    20_A      9   33   65      3    4   10   15   20   25   35   42   46   53   56   58   60   62   62   62   62   63   63   64 
LCS_GDT     V    21_A     V    21_A     26   36   65      5    8   14   24   35   42   47   52   54   55   57   58   60   62   62   62   62   63   63   64 
LCS_GDT     L    22_A     L    22_A     27   37   65      5   19   29   38   45   49   51   53   54   55   57   58   60   62   62   62   62   63   63   64 
LCS_GDT     I    23_A     I    23_A     27   37   65     16   26   31   42   45   49   51   53   54   55   57   58   60   62   62   62   62   63   63   64 
LCS_GDT     D    24_A     D    24_A     27   37   65     16   26   31   42   45   49   51   53   54   55   57   58   60   62   62   62   62   63   63   64 
LCS_GDT     V    25_A     V    25_A     27   37   65     16   26   31   42   45   49   51   53   54   55   57   58   60   62   62   62   62   63   63   64 
LCS_GDT     C    26_A     C    26_A     27   37   65     16   26   31   42   45   49   51   53   54   55   57   58   60   62   62   62   62   63   63   64 
LCS_GDT     P    27_A     P    27_A     27   37   65     16   26   31   42   45   49   51   53   54   55   57   58   60   62   62   62   62   63   63   64 
LCS_GDT     Q    28_A     Q    28_A     27   37   65     16   26   31   42   45   49   51   53   54   55   57   58   60   62   62   62   62   63   63   64 
LCS_GDT     C    29_A     C    29_A     27   37   65      5   26   31   42   45   49   51   53   54   55   57   58   60   62   62   62   62   63   63   64 
LCS_GDT     G    30_A     G    30_A     27   37   65     15   26   31   42   45   49   51   53   54   55   57   58   60   62   62   62   62   63   63   64 
LCS_GDT     G    31_A     G    31_A     27   37   65     16   26   31   42   45   49   51   53   54   55   57   58   60   62   62   62   62   63   63   64 
LCS_GDT     V    32_A     V    32_A     27   37   65     16   26   31   42   45   49   51   53   54   55   57   58   60   62   62   62   62   63   63   64 
LCS_GDT     W    33_A     W    33_A     27   37   65     16   26   31   42   45   49   51   53   54   55   57   58   60   62   62   62   62   63   63   64 
LCS_GDT     L    34_A     L    34_A     27   37   65     16   26   31   42   45   49   51   53   54   55   57   58   60   62   62   62   62   63   63   64 
LCS_GDT     D    35_A     D    35_A     27   37   65     16   26   31   42   45   49   51   53   54   55   57   58   60   62   62   62   62   63   63   64 
LCS_GDT     K    36_A     K    36_A     27   37   65     11   26   31   42   45   49   51   53   54   55   57   58   60   62   62   62   62   63   63   64 
LCS_GDT     G    37_A     G    37_A     27   37   65     11   26   31   42   45   49   51   53   54   55   57   58   60   62   62   62   62   63   63   64 
LCS_GDT     E    38_A     E    38_A     27   37   65     11   26   31   42   45   49   51   53   54   55   57   58   60   62   62   62   62   63   63   64 
LCS_GDT     L    39_A     L    39_A     27   37   65     16   26   31   42   45   49   51   53   54   55   57   58   60   62   62   62   62   63   63   64 
LCS_GDT     E    40_A     E    40_A     27   37   65     16   26   31   42   45   49   51   53   54   55   57   58   60   62   62   62   62   63   63   64 
LCS_GDT     K    41_A     K    41_A     27   37   65     11   26   31   42   45   49   51   53   54   55   57   58   60   62   62   62   62   63   63   64 
LCS_GDT     L    42_A     L    42_A     27   37   65     16   26   31   42   45   49   51   53   54   55   57   58   60   62   62   62   62   63   63   64 
LCS_GDT     L    43_A     L    43_A     27   37   65     16   26   31   42   45   49   51   53   54   55   57   58   60   62   62   62   62   63   63   64 
LCS_GDT     A    44_A     A    44_A     27   37   65     12   26   31   42   45   49   51   53   54   55   57   58   60   62   62   62   62   63   63   64 
LCS_GDT     E    45_A     E    45_A     27   37   65      7   26   31   42   45   49   51   53   54   55   57   58   60   62   62   62   62   63   63   64 
LCS_GDT     A    46_A     A    46_A     27   37   65      7   26   31   42   45   49   51   53   54   55   57   58   60   62   62   62   62   63   63   64 
LCS_GDT     E    47_A     E    47_A     27   37   65      8   24   31   42   45   49   51   53   54   55   57   58   60   62   62   62   62   63   63   64 
LCS_GDT     E    48_A     E    48_A     27   37   65      8   15   28   42   45   49   51   53   54   55   57   58   60   62   62   62   62   63   63   64 
LCS_GDT     V    49_A     V    49_A     27   37   65      7   15   25   42   45   49   51   53   54   55   57   58   60   62   62   62   62   63   63   64 
LCS_GDT     E    50_A     E    50_A     19   37   65      7   15   25   42   45   49   51   53   54   55   57   58   60   62   62   62   62   63   63   64 
LCS_GDT     R    51_A     R    51_A     19   37   65      8   15   20   38   45   49   51   53   54   55   57   58   60   62   62   62   62   63   63   64 
LCS_GDT     R    52_A     R    52_A     19   37   65      8   15   20   26   41   49   51   53   54   55   57   58   60   62   62   62   62   63   63   64 
LCS_GDT     Y    53_A     Y    53_A     19   37   65      8   15   20   26   41   49   51   53   54   55   57   58   60   62   62   62   62   63   63   64 
LCS_GDT     E    54_A     E    54_A     19   37   65      8   15   22   42   45   49   51   53   54   55   57   58   60   62   62   62   62   63   63   64 
LCS_GDT     E    55_A     E    55_A     19   37   65      8   15   20   26   41   49   51   53   54   55   57   58   60   62   62   62   62   63   63   64 
LCS_GDT     E    56_A     E    56_A     19   37   65      8   15   19   23   27   31   46   53   54   55   57   58   60   62   62   62   62   63   63   64 
LCS_GDT     L    57_A     L    57_A     19   37   65      3   13   19   25   28   36   50   53   54   55   57   58   60   62   62   62   62   63   63   64 
LCS_GDT     E    58_A     E    58_A     19   37   65      5   13   20   36   44   49   51   53   54   55   57   58   60   62   62   62   62   63   63   64 
LCS_GDT     G    59_A     G    59_A      3   26   65      1    3    4    7   10   16   17   25   29   53   57   58   60   62   62   62   62   63   63   64 
LCS_GDT     F    60_A     F    60_A      3    4   65      3    3    4    5    5   41   48   52   54   55   57   58   60   62   62   62   62   63   63   64 
LCS_GDT     Y    61_A     Y    61_A      3    4   65      3    3   28   42   45   49   51   53   54   55   57   58   60   62   62   62   62   63   63   64 
LCS_GDT     R    62_A     R    62_A      3    3   65      3    3    3   28   35   40   44   48   51   53   57   58   60   62   62   62   62   63   63   64 
LCS_GDT     K    63_A     K    63_A      3    6   65      3    3    4    4    6   40   44   48   51   53   57   58   60   62   62   62   62   63   63   64 
LCS_GDT     E    64_A     E    64_A      3   10   65      3    3    5    6    8   10   10   12   50   53   57   58   60   62   62   62   62   63   63   64 
LCS_GDT     G    65_A     G    65_A      6   10   65      4    4    5    7    8   10   10   11   12   30   50   53   54   56   59   61   62   63   63   64 
LCS_GDT     K    66_A     K    66_A      6   10   65      4    4    5    7    8   10   10   11   12   12   12   12   13   36   53   56   59   61   63   64 
LCS_GDT     P    67_A     P    67_A      6   10   65      4    4    5    7    8   10   10   11   12   12   12   12   13   15   15   16   16   17   23   31 
LCS_GDT     Y    68_A     Y    68_A      6   10   14      4    4    6    7    8   10   10   11   12   12   12   12   13   15   15   16   16   17   18   19 
LCS_GDT     K    69_A     K    69_A      6   10   14      4    4    6    7    8   10   10   11   12   12   12   12   13   15   15   16   16   17   18   19 
LCS_GDT     R    70_A     R    70_A      6   10   14      4    4    6    7    8   10   10   11   12   12   12   12   13   15   15   16   16   17   18   19 
LCS_GDT     K    71_A     K    71_A      6   10   14      4    4    6    7    8   10   10   11   12   12   12   12   13   15   15   16   16   17   18   19 
LCS_GDT     K    72_A     K    72_A      6   10   14      2    4    6    7    8   10   10   11   12   12   12   12   13   15   15   16   16   17   18   19 
LCS_GDT     G    73_A     G    73_A      6   10   14      0    4    6    7    8   10   10   11   12   12   12   12   13   15   15   16   16   17   18   19 
LCS_GDT     F    74_A     F    74_A      3    8   14      1    3    5    6    7    8   10   10   12   12   12   12   13   15   15   16   16   17   18   19 
LCS_GDT     M    75_A     M    75_A      3    3   14      0    3    3    3    4    6    7    8    8   10   11   12   13   15   15   16   16   17   18   19 
LCS_GDT     K    76_A     K    76_A      3    4   14      0    3    3    4    4    5    5    6    8   10   11   11   13   15   15   16   16   17   18   19 
LCS_GDT     L    77_A     L    77_A      3    4   14      3    3    3    4    4    5    5    6    8   10   11   11   13   15   15   16   16   17   18   19 
LCS_GDT     F    78_A     F    78_A      3    4   14      3    3    3    4    4    5    5    6    8    8    9   11   13   14   15   16   16   17   18   19 
LCS_GDT     D    79_A     D    79_A      3    4   14      3    3    3    4    4    5    5    6    7    8    9   11   13   14   15   15   16   17   18   19 
LCS_GDT     L    80_A     L    80_A      3    3   14      0    3    3    3    4    5    5    6    6    8    9   11   13   14   15   15   16   16   17   19 
LCS_GDT     F    81_A     F    81_A      3    3   11      0    3    3    3    4    5    5    6    6    8    9   10   11   12   15   15   16   17   18   19 
LCS_AVERAGE  LCS_A:  41.23  (  20.53   32.38   70.79 )

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     16     26     31     42     45     49     51     53     54     55     57     58     60     62     62     62     62     63     63     64 
GDT PERCENT_AT  20.25  32.91  39.24  53.16  56.96  62.03  64.56  67.09  68.35  69.62  72.15  73.42  75.95  78.48  78.48  78.48  78.48  79.75  79.75  81.01
GDT RMS_LOCAL    0.34   0.57   0.87   1.41   1.52   1.79   1.87   2.03   2.17   2.24   2.64   2.64   2.92   3.17   3.17   3.17   3.17   3.46   3.46   3.88
GDT RMS_ALL_AT  21.07  21.13  21.11  21.31  21.36  21.55  21.56  21.64  21.70  21.73  21.49  21.87  21.68  21.64  21.64  21.64  21.64  21.47  21.47  21.29

# Checking swapping
#   possible swapping detected:  E    15_A      E    15_A
#   possible swapping detected:  E    50_A      E    50_A
#   possible swapping detected:  F    60_A      F    60_A
#   possible swapping detected:  Y    68_A      Y    68_A
#   possible swapping detected:  F    78_A      F    78_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    L     3_A      L     3_A     1.997     0    0.540   1.363     6.282   65.476   48.095
LGA    L     4_A      L     4_A     1.447     0    0.050   1.392     4.001   77.143   66.786
LGA    L     5_A      L     5_A     1.165     4    0.067   0.067     1.277   81.429   40.714
LGA    C     6_A      C     6_A     0.805     0    0.060   0.142     1.576   90.476   87.540
LGA    P     7_A      P     7_A     0.656     0    0.052   0.103     1.513   88.214   85.374
LGA    N     8_A      N     8_A     1.905     0    0.034   0.174     3.515   71.071   63.452
LGA    C     9_A      C     9_A     1.936     0    0.739   1.030     3.464   67.143   69.127
LGA    Q    10_A      Q    10_A     1.452     0    0.237   1.176     5.259   72.976   62.857
LGA    V    11_A      V    11_A     1.556     0    0.067   1.095     2.477   79.286   74.218
LGA    G    12_A      G    12_A     1.519     0    0.101   0.101     1.639   77.143   77.143
LGA    M    13_A      M    13_A     1.616     0    0.074   0.774     2.582   69.048   72.083
LGA    R    14_A      R    14_A     3.097     0    0.091   1.226     9.539   61.190   29.221
LGA    E    15_A      E    15_A     2.058     0    0.083   0.714     2.890   60.952   63.122
LGA    V    16_A      V    16_A     2.742     0    0.139   0.155     4.398   60.952   51.633
LGA    E    17_A      E    17_A     3.432     0    0.075   0.364     6.665   41.190   35.767
LGA    R    18_A      R    18_A     5.987     3    0.243   0.895     6.593   20.833   15.065
LGA    R    19_A      R    19_A     8.684     5    0.374   0.607    11.667    3.333    1.255
LGA    G    20_A      G    20_A     7.964     0    0.145   0.145     7.964    7.857    7.857
LGA    V    21_A      V    21_A     5.133     0    0.054   1.077     6.337   32.500   28.503
LGA    L    22_A      L    22_A     2.488     0    0.044   0.925     3.817   65.119   59.464
LGA    I    23_A      I    23_A     0.557     0    0.130   1.120     4.483   88.214   75.417
LGA    D    24_A      D    24_A     0.724     0    0.078   0.227     1.045   90.476   91.726
LGA    V    25_A      V    25_A     1.291     0    0.091   0.123     1.985   79.286   77.755
LGA    C    26_A      C    26_A     1.228     0    0.058   0.065     1.601   77.143   80.079
LGA    P    27_A      P    27_A     1.997     0    0.144   0.322     2.216   72.857   70.544
LGA    Q    28_A      Q    28_A     1.557     0    0.031   0.374     1.757   72.857   78.677
LGA    C    29_A      C    29_A     1.660     0    0.147   0.624     1.985   72.857   75.794
LGA    G    30_A      G    30_A     1.586     0    0.085   0.085     1.706   72.857   72.857
LGA    G    31_A      G    31_A     1.137     0    0.063   0.063     1.339   81.429   81.429
LGA    V    32_A      V    32_A     1.138     0    0.050   0.076     2.045   83.690   77.891
LGA    W    33_A      W    33_A     0.440     0    0.035   0.127     2.551   97.619   82.075
LGA    L    34_A      L    34_A     1.085     0    0.095   0.753     2.192   83.690   78.393
LGA    D    35_A      D    35_A     1.542     0    0.107   0.712     3.680   75.000   67.262
LGA    K    36_A      K    36_A     1.894     0    0.051   0.180     2.842   68.810   66.614
LGA    G    37_A      G    37_A     2.257     0    0.065   0.065     2.350   64.762   64.762
LGA    E    38_A      E    38_A     1.732     0    0.030   0.898     4.653   72.857   63.651
LGA    L    39_A      L    39_A     1.753     0    0.043   0.130     2.275   68.810   70.833
LGA    E    40_A      E    40_A     2.424     0    0.058   0.888     6.284   62.857   47.831
LGA    K    41_A      K    41_A     2.275     0    0.064   1.441     9.340   64.762   43.439
LGA    L    42_A      L    42_A     2.370     0    0.030   0.918     3.671   64.762   60.179
LGA    L    43_A      L    43_A     2.454     0    0.036   1.482     5.411   64.762   58.095
LGA    A    44_A      A    44_A     2.144     0    0.047   0.046     2.331   66.786   66.381
LGA    E    45_A      E    45_A     2.086     0    0.061   0.758     2.909   68.810   65.714
LGA    A    46_A      A    46_A     1.833     0    0.067   0.063     2.010   75.000   72.952
LGA    E    47_A      E    47_A     1.478     0    0.022   0.957     5.209   79.286   59.418
LGA    E    48_A      E    48_A     0.684     0    0.047   0.847     3.091   88.214   79.153
LGA    V    49_A      V    49_A     1.385     0    0.039   0.083     2.418   79.286   75.374
LGA    E    50_A      E    50_A     1.020     0    0.041   0.837     3.463   81.429   76.138
LGA    R    51_A      R    51_A     1.466     0    0.081   1.231     7.926   77.381   46.450
LGA    R    52_A      R    52_A     2.809     0    0.053   1.361     9.801   57.262   38.571
LGA    Y    53_A      Y    53_A     2.532     0    0.048   1.192     8.633   62.857   39.286
LGA    E    54_A      E    54_A     1.012     0    0.040   0.844     4.158   77.143   68.360
LGA    E    55_A      E    55_A     2.924     0    0.044   0.774     3.960   53.810   52.540
LGA    E    56_A      E    56_A     4.319     0    0.048   0.868     8.563   35.952   25.238
LGA    L    57_A      L    57_A     3.972     0    0.638   0.726     7.112   48.452   34.405
LGA    E    58_A      E    58_A     2.686     0    0.637   1.234     3.942   51.905   49.418
LGA    G    59_A      G    59_A     7.978     0    0.541   0.541     7.978   11.905   11.905
LGA    F    60_A      F    60_A     6.090     0    0.623   1.116     9.969   22.024   11.515
LGA    Y    61_A      Y    61_A     2.874     0    0.640   1.461    12.102   38.690   20.278
LGA    R    62_A      R    62_A     9.305     0    0.631   1.385    19.774    4.405    1.602
LGA    K    63_A      K    63_A     9.257     2    0.689   0.569    10.696    1.786    0.847
LGA    E    64_A      E    64_A     7.773     0    0.674   1.150     9.341    4.048    4.921
LGA    G    65_A      G    65_A    13.417     0    0.610   0.610    14.164    0.000    0.000
LGA    K    66_A      K    66_A    16.591     3    0.135   0.177    20.362    0.000    0.000
LGA    P    67_A      P    67_A    23.391     0    0.095   0.127    24.673    0.000    0.000
LGA    Y    68_A      Y    68_A    28.567     0    0.032   1.346    36.411    0.000    0.000
LGA    K    69_A      K    69_A    34.816     2    0.151   0.634    38.315    0.000    0.000
LGA    R    70_A      R    70_A    39.979     0    0.141   0.709    49.664    0.000    0.000
LGA    K    71_A      K    71_A    40.835     0    0.657   1.072    42.832    0.000    0.000
LGA    K    72_A      K    72_A    46.653     0    0.445   1.387    51.150    0.000    0.000
LGA    G    73_A      G    73_A    47.914     0    0.659   0.659    48.691    0.000    0.000
LGA    F    74_A      F    74_A    50.474     0    0.609   1.302    53.420    0.000    0.000
LGA    M    75_A      M    75_A    51.104     0    0.666   1.286    51.927    0.000    0.000
LGA    K    76_A      K    76_A    51.962     0    0.630   1.009    53.880    0.000    0.000
LGA    L    77_A      L    77_A    53.508     0    0.587   1.459    57.572    0.000    0.000
LGA    F    78_A      F    78_A    58.066     0    0.679   1.232    60.880    0.000    0.000
LGA    D    79_A      D    79_A    58.074     0    0.698   0.609    60.517    0.000    0.000
LGA    L    80_A      L    80_A    60.847     0    0.701   1.087    64.295    0.000    0.000
LGA    F    81_A      F    81_A    65.699     0    0.654   1.258    71.288    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     632    632  100.00                79
SUMMARY(RMSD_GDC):    19.022         19.157                 20.348           48.862   43.355

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   82   79    4.0     53    2.03    57.911    53.471     2.491

LGA_LOCAL      RMSD:   2.028  Number of atoms:   53  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  21.643  Number of assigned atoms:   79 
Std_ASGN_ATOMS RMSD:  19.022  Standard rmsd on all 79 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.822561 * X  +   0.534719 * Y  +  -0.193567 * Z  + -10.226582
  Y_new =   0.516000 * X  +   0.844874 * Y  +   0.141183 * Z  +   1.229149
  Z_new =   0.239033 * X  +   0.016251 * Y  +  -0.970875 * Z  +  26.101332 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.581335 -0.241370  3.124856   [DEG:  147.8996  -13.8295  179.0411 ]
ZXZ: -2.200965  2.899654  1.502916   [DEG: -126.1060  166.1380   86.1107 ]
 
# END of job
