
#######################################################
#                                                     #
#                        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        4.79    21.71
  LCS_AVERAGE:     72.18

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    46      13_A - 58_A        1.96    22.12
  LCS_AVERAGE:     43.45

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    25      32_A - 56_A        0.90    22.71
  LCS_AVERAGE:     18.88

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   41   65      4   19   25   32   36   44   51   53   56   57   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     L     4_A     L     4_A     14   41   65      7   13   25   30   36   42   51   53   56   57   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     L     5_A     L     5_A     14   41   65      7   18   25   32   36   44   51   53   56   57   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     C     6_A     C     6_A     14   41   65      5   19   25   32   36   44   51   53   56   57   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     P     7_A     P     7_A     14   41   65      7   19   25   32   36   44   51   53   56   57   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     N     8_A     N     8_A     14   41   65      8   19   25   32   36   41   47   53   56   57   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     C     9_A     C     9_A     14   41   65      4   14   25   31   36   41   47   52   56   57   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     Q    10_A     Q    10_A     14   41   65      7   18   25   32   36   41   47   52   56   57   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     V    11_A     V    11_A     14   41   65      5   13   23   31   36   41   47   53   56   57   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     G    12_A     G    12_A     14   45   65      7   19   25   32   36   44   51   53   56   57   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     M    13_A     M    13_A     14   46   65      9   19   25   35   38   44   51   53   56   57   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     R    14_A     R    14_A     14   46   65      9   18   26   35   38   44   51   53   56   57   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     E    15_A     E    15_A     14   46   65      9   19   25   32   38   44   51   53   56   57   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     V    16_A     V    16_A     14   46   65      4   19   25   32   37   42   51   53   56   57   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     E    17_A     E    17_A     11   46   65      7   18   29   35   38   44   51   53   56   57   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     R    18_A     R    18_A     11   46   65      7    9   21   27   38   44   51   53   56   57   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     R    19_A     R    19_A     11   46   65      7    9   12   22   33   41   51   53   56   57   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     G    20_A     G    20_A     11   46   65      7    9   14   30   38   44   51   53   56   57   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     V    21_A     V    21_A     11   46   65      7    9   29   35   38   44   51   53   56   57   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     L    22_A     L    22_A     21   46   65     11   25   29   35   38   44   51   53   56   57   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     I    23_A     I    23_A     21   46   65      8   25   29   35   38   44   51   53   56   57   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     D    24_A     D    24_A     21   46   65     11   25   29   35   38   44   51   53   56   57   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     V    25_A     V    25_A     21   46   65      9   20   29   35   38   44   51   53   56   57   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     C    26_A     C    26_A     21   46   65      9   19   27   35   38   44   51   53   56   57   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     P    27_A     P    27_A     21   46   65      9   19   27   35   38   44   51   53   56   57   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     Q    28_A     Q    28_A     21   46   65      9   19   25   32   37   44   51   53   56   57   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     C    29_A     C    29_A     21   46   65      9   19   25   32   36   42   51   53   56   57   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     G    30_A     G    30_A     21   46   65      5   19   25   32   36   42   51   53   56   57   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     G    31_A     G    31_A     21   46   65      8   18   25   32   37   44   51   53   56   57   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     V    32_A     V    32_A     25   46   65      9   19   26   35   38   44   51   53   56   57   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     W    33_A     W    33_A     25   46   65      8   19   29   35   38   44   51   53   56   57   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     L    34_A     L    34_A     25   46   65      9   25   29   35   38   44   51   53   56   57   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     D    35_A     D    35_A     25   46   65      8   19   29   35   38   44   51   53   56   57   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     K    36_A     K    36_A     25   46   65      9   25   29   35   38   44   51   53   56   57   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     G    37_A     G    37_A     25   46   65     15   25   29   35   38   44   51   53   56   57   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     E    38_A     E    38_A     25   46   65     12   25   29   35   38   44   51   53   56   57   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     L    39_A     L    39_A     25   46   65     11   25   29   35   38   44   51   53   56   57   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     E    40_A     E    40_A     25   46   65     11   25   29   35   38   44   51   53   56   57   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     K    41_A     K    41_A     25   46   65     15   25   29   35   38   44   51   53   56   57   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     L    42_A     L    42_A     25   46   65     15   25   29   35   38   44   51   53   56   57   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     L    43_A     L    43_A     25   46   65     15   25   29   35   38   44   51   53   56   57   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     A    44_A     A    44_A     25   46   65     15   25   29   35   38   44   51   53   56   57   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     E    45_A     E    45_A     25   46   65     15   25   29   35   38   44   51   53   56   57   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     A    46_A     A    46_A     25   46   65     15   25   29   35   38   44   51   53   56   57   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     E    47_A     E    47_A     25   46   65     15   25   29   35   38   44   51   53   56   57   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     E    48_A     E    48_A     25   46   65     15   25   29   35   38   44   51   53   56   57   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     V    49_A     V    49_A     25   46   65     15   25   29   35   38   44   51   53   56   57   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     E    50_A     E    50_A     25   46   65     15   25   29   35   38   44   51   53   56   57   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     R    51_A     R    51_A     25   46   65     15   25   29   35   38   44   51   53   56   57   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     R    52_A     R    52_A     25   46   65     15   25   29   35   38   44   51   53   56   57   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     Y    53_A     Y    53_A     25   46   65     15   25   29   35   38   44   51   53   56   57   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     E    54_A     E    54_A     25   46   65     15   25   29   35   38   43   51   53   56   57   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     E    55_A     E    55_A     25   46   65     15   25   29   35   38   43   51   53   56   57   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     E    56_A     E    56_A     25   46   65     12   25   29   35   38   44   51   53   56   57   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     L    57_A     L    57_A      3   46   65      3    3    3   28   35   44   51   53   56   57   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     E    58_A     E    58_A      3   46   65      3    3    3    5   32   42   51   53   56   57   58   60   60   61   61   61   61   62   63   63 
LCS_GDT     G    59_A     G    59_A      3   41   65      0    3    3    3   13   25   41   47   51   57   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     F    60_A     F    60_A      3    4   65      0    3    3    3    4    5   16   39   50   53   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     Y    61_A     Y    61_A      3    4   65      0    3    3    3    8   25   34   43   52   57   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     R    62_A     R    62_A      3    5   65      0    3    3    3    3    5    6    6   11   53   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     K    63_A     K    63_A      4    7   65      3    3    4    5    6    9   11   11   12   15   17   21   41   61   61   61   61   62   63   63 
LCS_GDT     E    64_A     E    64_A      4    7   65      3    3    4    6    7    9   11   11   12   15   17   18   19   20   48   51   53   54   60   63 
LCS_GDT     G    65_A     G    65_A      4    9   65      4    4    7    7    8    9   11   11   12   15   17   18   19   20   20   45   57   62   63   63 
LCS_GDT     K    66_A     K    66_A      4    9   65      4    4    4    7    8    9    9   11   12   15   17   18   19   20   20   31   47   57   63   63 
LCS_GDT     P    67_A     P    67_A      4    9   65      4    4    7    7    8    9   11   11   12   15   17   18   19   20   20   21   30   40   52   61 
LCS_GDT     Y    68_A     Y    68_A      5    9   20      4    4    6    6    8    9   11   11   12   15   17   18   19   20   20   21   22   22   23   23 
LCS_GDT     K    69_A     K    69_A      5    9   20      3    5    7    7    8    9   11   11   12   15   17   18   19   20   20   21   22   22   23   23 
LCS_GDT     R    70_A     R    70_A      5    9   20      3    5    7    7    8    9   11   11   12   15   17   18   19   20   20   21   22   22   23   23 
LCS_GDT     K    71_A     K    71_A      5    9   20      3    5    7    7    8    9   11   11   12   15   17   18   19   20   20   21   22   22   23   23 
LCS_GDT     K    72_A     K    72_A      5    9   20      2    5    7    7    8    9   11   11   12   13   15   18   19   20   20   21   22   22   23   23 
LCS_GDT     G    73_A     G    73_A      5    9   20      1    5    7    7    8    9   11   11   12   14   17   18   19   20   20   21   22   22   23   23 
LCS_GDT     F    74_A     F    74_A      3    7   20      3    3    3    4    7    9   11   11   12   15   17   18   19   20   20   21   22   22   23   23 
LCS_GDT     M    75_A     M    75_A      3    4   20      3    3    3    4    4    6    7    9   12   14   17   18   19   20   20   21   22   22   23   23 
LCS_GDT     K    76_A     K    76_A      3    4   20      3    3    3    4    4    5    6    9   12   15   17   18   19   20   20   21   22   22   23   23 
LCS_GDT     L    77_A     L    77_A      3    4   20      3    3    3    4    4    5    6    9   12   15   17   18   19   20   20   21   22   22   23   23 
LCS_GDT     F    78_A     F    78_A      3    4   20      3    3    3    4    4    5    5    9   12   15   17   18   19   20   20   21   22   22   23   23 
LCS_GDT     D    79_A     D    79_A      3    4   20      3    3    3    4    4    5    5    9   12   15   17   18   19   20   20   21   22   22   23   23 
LCS_GDT     L    80_A     L    80_A      3    3   20      1    3    3    4    4    5    5    6   10   12   14   18   19   20   20   21   22   22   23   23 
LCS_GDT     F    81_A     F    81_A      3    3   20      0    3    3    4    4    5    5    6   12   15   17   18   19   20   20   21   22   22   23   23 
LCS_AVERAGE  LCS_A:  44.84  (  18.88   43.45   72.18 )

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     15     25     29     35     38     44     51     53     56     57     59     60     60     61     61     61     61     62     63     63 
GDT PERCENT_AT  18.99  31.65  36.71  44.30  48.10  55.70  64.56  67.09  70.89  72.15  74.68  75.95  75.95  77.22  77.22  77.22  77.22  78.48  79.75  79.75
GDT RMS_LOCAL    0.27   0.69   0.85   1.20   1.34   1.98   2.21   2.33   2.52   2.65   3.06   3.09   3.09   3.33   3.33   3.33   3.33   3.64   4.07   3.95
GDT RMS_ALL_AT  23.58  22.87  22.71  22.46  22.49  21.84  21.89  21.83  21.65  21.74  21.88  21.85  21.85  21.90  21.90  21.90  21.90  21.91  21.82  21.95

# Checking swapping
#   possible swapping detected:  E    15_A      E    15_A
#   possible swapping detected:  E    45_A      E    45_A
#   possible swapping detected:  E    50_A      E    50_A
#   possible swapping detected:  E    54_A      E    54_A
#   possible swapping detected:  E    56_A      E    56_A
#   possible swapping detected:  F    60_A      F    60_A
#   possible swapping detected:  E    64_A      E    64_A
#   possible swapping detected:  Y    68_A      Y    68_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    L     3_A      L     3_A     3.291     0    0.538   1.465     4.296   41.905   45.179
LGA    L     4_A      L     4_A     3.758     0    0.086   1.006     5.517   50.119   42.440
LGA    L     5_A      L     5_A     3.339     4    0.048   0.048     3.531   53.810   26.905
LGA    C     6_A      C     6_A     2.131     0    0.012   0.057     3.374   57.262   58.492
LGA    P     7_A      P     7_A     2.744     0    0.053   0.090     4.244   50.595   61.361
LGA    N     8_A      N     8_A     4.671     0    0.071   1.057     6.319   29.524   29.821
LGA    C     9_A      C     9_A     5.434     0    0.019   0.808     6.088   24.048   28.730
LGA    Q    10_A      Q    10_A     5.227     0    0.217   1.370     8.685   27.500   22.698
LGA    V    11_A      V    11_A     4.615     0    0.095   0.325     5.650   39.048   36.054
LGA    G    12_A      G    12_A     2.914     0    0.035   0.035     3.516   61.548   61.548
LGA    M    13_A      M    13_A     1.351     0    0.047   0.965     2.636   72.976   73.095
LGA    R    14_A      R    14_A     2.251     0    0.019   1.228     8.630   68.810   42.641
LGA    E    15_A      E    15_A     2.785     0    0.049   1.062     4.833   51.905   49.577
LGA    V    16_A      V    16_A     3.320     0    0.186   1.092     5.724   55.357   49.048
LGA    E    17_A      E    17_A     1.567     0    0.117   0.527     3.137   64.881   67.037
LGA    R    18_A      R    18_A     2.725     3    0.020   1.277     3.250   59.048   46.667
LGA    R    19_A      R    19_A     3.335     5    0.036   0.329     5.509   51.786   24.719
LGA    G    20_A      G    20_A     2.671     0    0.038   0.038     2.671   60.952   60.952
LGA    V    21_A      V    21_A     1.627     0    0.073   0.094     1.991   79.405   79.048
LGA    L    22_A      L    22_A     1.458     0    0.056   0.932     5.067   77.143   61.786
LGA    I    23_A      I    23_A     2.493     0    0.168   0.417     3.519   62.857   62.143
LGA    D    24_A      D    24_A     1.712     0    0.104   0.853     3.272   72.857   71.071
LGA    V    25_A      V    25_A     1.775     0    0.091   1.065     4.592   72.857   63.537
LGA    C    26_A      C    26_A     1.436     0    0.019   0.104     2.225   75.000   72.937
LGA    P    27_A      P    27_A     1.477     0    0.033   0.059     2.164   75.119   81.701
LGA    Q    28_A      Q    28_A     2.519     0    0.109   1.125     6.840   59.048   44.444
LGA    C    29_A      C    29_A     3.698     0    0.099   0.131     3.918   45.000   45.556
LGA    G    30_A      G    30_A     3.374     0    0.020   0.020     3.382   50.000   50.000
LGA    G    31_A      G    31_A     2.441     0    0.071   0.071     2.750   62.857   62.857
LGA    V    32_A      V    32_A     2.219     0    0.024   1.181     4.777   68.810   60.204
LGA    W    33_A      W    33_A     1.451     0    0.041   1.249     5.354   75.000   67.075
LGA    L    34_A      L    34_A     1.726     0    0.078   0.382     1.959   77.143   77.143
LGA    D    35_A      D    35_A     1.411     0    0.135   1.232     4.862   77.143   66.845
LGA    K    36_A      K    36_A     2.066     0    0.026   0.646     5.004   70.833   62.328
LGA    G    37_A      G    37_A     1.747     0    0.058   0.058     1.825   75.000   75.000
LGA    E    38_A      E    38_A     1.448     0    0.028   0.992     4.142   79.286   71.005
LGA    L    39_A      L    39_A     1.527     0    0.016   0.891     5.165   77.143   61.786
LGA    E    40_A      E    40_A     1.379     0    0.019   0.294     2.588   81.429   75.873
LGA    K    41_A      K    41_A     1.356     0    0.037   0.839     1.812   81.429   79.577
LGA    L    42_A      L    42_A     1.552     0    0.033   1.079     3.644   79.286   73.452
LGA    L    43_A      L    43_A     1.174     0    0.034   0.158     2.095   85.952   81.607
LGA    A    44_A      A    44_A     0.502     0    0.031   0.029     0.761   95.238   94.286
LGA    E    45_A      E    45_A     0.477     0    0.031   1.191     4.401   95.238   75.608
LGA    A    46_A      A    46_A     1.146     0    0.063   0.064     1.484   83.690   83.238
LGA    E    47_A      E    47_A     1.414     0    0.020   0.513     3.187   79.286   68.783
LGA    E    48_A      E    48_A     1.095     0    0.037   1.022     3.425   81.429   76.138
LGA    V    49_A      V    49_A     0.687     0    0.025   0.098     1.106   85.952   90.612
LGA    E    50_A      E    50_A     1.806     0    0.024   0.706     4.194   70.952   62.751
LGA    R    51_A      R    51_A     2.431     0    0.018   1.498    10.790   62.857   38.009
LGA    R    52_A      R    52_A     2.041     0    0.038   1.242     4.956   64.762   60.216
LGA    Y    53_A      Y    53_A     2.029     0    0.037   1.173     6.611   64.881   51.627
LGA    E    54_A      E    54_A     2.894     0    0.043   1.295     3.314   53.571   59.048
LGA    E    55_A      E    55_A     3.171     0    0.135   0.635     3.896   50.119   51.693
LGA    E    56_A      E    56_A     2.225     0    0.526   1.075     7.847   71.190   45.185
LGA    L    57_A      L    57_A     3.068     0    0.616   1.420     9.408   63.095   37.321
LGA    E    58_A      E    58_A     3.125     0    0.605   1.255     9.406   59.286   34.815
LGA    G    59_A      G    59_A     6.633     0    0.543   0.543     7.396   14.881   14.881
LGA    F    60_A      F    60_A     9.784     0    0.635   0.900    18.942    2.262    0.823
LGA    Y    61_A      Y    61_A     7.851     0    0.624   1.261     9.194    5.952    6.389
LGA    R    62_A      R    62_A     9.313     0    0.646   1.286    17.275    1.786    0.649
LGA    K    63_A      K    63_A    13.246     2    0.680   0.608    15.439    0.000    0.000
LGA    E    64_A      E    64_A    17.364     0    0.549   0.882    25.131    0.000    0.000
LGA    G    65_A      G    65_A    15.602     0    0.660   0.660    16.064    0.000    0.000
LGA    K    66_A      K    66_A    17.475     3    0.111   0.146    19.759    0.000    0.000
LGA    P    67_A      P    67_A    18.933     0    0.100   0.236    23.048    0.000    0.000
LGA    Y    68_A      Y    68_A    25.536     0    0.140   0.332    37.234    0.000    0.000
LGA    K    69_A      K    69_A    29.839     2    0.048   0.641    31.308    0.000    0.000
LGA    R    70_A      R    70_A    34.594     0    0.072   0.958    39.546    0.000    0.000
LGA    K    71_A      K    71_A    38.368     0    0.644   0.935    41.749    0.000    0.000
LGA    K    72_A      K    72_A    44.527     0    0.411   1.401    46.874    0.000    0.000
LGA    G    73_A      G    73_A    47.153     0    0.644   0.644    47.179    0.000    0.000
LGA    F    74_A      F    74_A    47.294     0    0.596   1.278    51.011    0.000    0.000
LGA    M    75_A      M    75_A    48.714     0    0.683   0.681    50.790    0.000    0.000
LGA    K    76_A      K    76_A    51.710     0    0.621   0.923    54.723    0.000    0.000
LGA    L    77_A      L    77_A    54.200     0    0.615   1.394    58.491    0.000    0.000
LGA    F    78_A      F    78_A    59.806     0    0.683   1.396    64.850    0.000    0.000
LGA    D    79_A      D    79_A    62.097     0    0.697   0.791    65.260    0.000    0.000
LGA    L    80_A      L    80_A    66.117     0    0.679   0.842    70.458    0.000    0.000
LGA    F    81_A      F    81_A    71.881     0    0.656   1.295    76.084    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):    19.240         19.436                 20.588           46.685   42.101

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   82   79    4.0     53    2.33    55.063    54.668     2.183

LGA_LOCAL      RMSD:   2.328  Number of atoms:   53  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  21.830  Number of assigned atoms:   79 
Std_ASGN_ATOMS RMSD:  19.240  Standard rmsd on all 79 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.350602 * X  +   0.334621 * Y  +   0.874704 * Z  + -18.529655
  Y_new =  -0.659859 * X  +  -0.751042 * Y  +   0.022826 * Z  + -23.974648
  Z_new =   0.664578 * X  +  -0.569179 * Y  +   0.484120 * Z  +  25.091892 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.059192 -0.726929 -0.865978   [DEG: -117.9830  -41.6499  -49.6169 ]
ZXZ:  1.596886  1.065440  2.279024   [DEG:   91.4948   61.0452  130.5785 ]
 
# END of job
