
#######################################################
#                                                     #
#                        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  101 (  798),  selected   87 , name one
# Molecule2: number of CA atoms   87 (  706),  selected   87 , 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:    78      15_A - 92_A        4.73    15.53
  LCS_AVERAGE:     82.52

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    38      15_A - 52_A        1.80    16.14
  LCS_AVERAGE:     36.08

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    36      15_A - 50_A        0.98    16.26
  LCS_AVERAGE:     26.15

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   87
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     K    15_A     K    15_A     36   38   78     14   28   60   65   66   66   67   68   70   72   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     L    16_A     L    16_A     36   38   78     14   37   61   65   66   66   67   68   70   72   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     I    17_A     I    17_A     36   38   78     28   51   61   65   66   66   67   68   70   72   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     I    18_A     I    18_A     36   38   78     24   51   61   65   66   66   67   68   70   72   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     K    19_A     K    19_A     36   38   78     28   51   61   65   66   66   67   68   70   72   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     A    20_A     A    20_A     36   38   78     28   51   61   65   66   66   67   68   70   72   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     Q    21_A     Q    21_A     36   38   78     28   51   61   65   66   66   67   68   70   72   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     L    22_A     L    22_A     36   38   78      9   51   61   65   66   66   67   68   70   72   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     G    23_A     G    23_A     36   38   78     14   51   61   65   66   66   67   68   70   72   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     E    24_A     E    24_A     36   38   78     15   51   61   65   66   66   67   68   70   72   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     D    25_A     D    25_A     36   38   78     28   51   61   65   66   66   67   68   70   72   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     I    26_A     I    26_A     36   38   78     28   51   61   65   66   66   67   68   70   72   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     R    27_A     R    27_A     36   38   78     28   51   61   65   66   66   67   68   70   72   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     R    28_A     R    28_A     36   38   78     28   51   61   65   66   66   67   68   70   72   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     I    29_A     I    29_A     36   38   78     15   51   61   65   66   66   67   68   70   72   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     P    30_A     P    30_A     36   38   78     14   51   61   65   66   66   67   68   70   72   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     I    31_A     I    31_A     36   38   78     15   51   61   65   66   66   67   68   70   72   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     H    32_A     H    32_A     36   38   78     28   51   61   65   66   66   67   68   70   72   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     N    33_A     N    33_A     36   38   78      6   19   49   65   66   66   67   68   70   72   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     E    34_A     E    34_A     36   38   78      3   37   61   65   66   66   67   68   70   72   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     D    35_A     D    35_A     36   38   78      5   22   61   65   66   66   67   68   70   72   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     I    36_A     I    36_A     36   38   78      5   27   61   65   66   66   67   68   70   72   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     T    37_A     T    37_A     36   38   78     16   51   61   65   66   66   67   68   70   72   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     Y    38_A     Y    38_A     36   38   78     14   42   61   65   66   66   67   68   70   72   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     D    39_A     D    39_A     36   38   78     16   51   61   65   66   66   67   68   70   72   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     E    40_A     E    40_A     36   38   78     17   51   61   65   66   66   67   68   70   72   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     L    41_A     L    41_A     36   38   78     16   51   61   65   66   66   67   68   70   72   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     V    42_A     V    42_A     36   38   78     14   51   61   65   66   66   67   68   70   72   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     L    43_A     L    43_A     36   38   78     28   51   61   65   66   66   67   68   70   72   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     M    44_A     M    44_A     36   38   78     28   51   61   65   66   66   67   68   70   72   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     M    45_A     M    45_A     36   38   78     28   51   61   65   66   66   67   68   70   72   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     Q    46_A     Q    46_A     36   38   78     14   48   61   65   66   66   67   68   70   72   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     R    47_A     R    47_A     36   38   78     14   39   61   65   66   66   67   68   70   72   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     V    48_A     V    48_A     36   38   78     14   51   61   65   66   66   67   68   70   72   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     F    49_A     F    49_A     36   38   78     28   51   61   65   66   66   67   68   70   72   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     R    50_A     R    50_A     36   38   78     14   44   61   65   66   66   67   68   70   72   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     G    51_A     G    51_A      3   38   78      3    3    3    6    7   16   21   53   70   72   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     K    52_A     K    52_A      3   38   78      3    3    3   16   19   31   45   62   68   72   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     L    53_A     L    53_A      5   14   78      4    4    5    6   10   21   38   53   61   70   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     L    54_A     L    54_A      5   33   78      4    4    7   10   16   23   47   65   70   72   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     S    55_A     S    55_A      9   33   78      4    5    9   12   38   62   67   68   70   72   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     N    56_A     N    56_A     11   33   78      4    9   49   65   66   66   67   68   70   72   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     D    57_A     D    57_A     11   33   78      4    9   52   65   66   66   67   68   70   72   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     E    58_A     E    58_A     12   33   78     16   51   61   65   66   66   67   68   70   72   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     V    59_A     V    59_A     15   33   78     28   51   61   65   66   66   67   68   70   72   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     T    60_A     T    60_A     15   33   78     28   51   61   65   66   66   67   68   70   72   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     I    61_A     I    61_A     15   33   78     12   51   61   65   66   66   67   68   70   72   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     K    62_A     K    62_A     15   33   78     28   51   61   65   66   66   67   68   70   72   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     Y    63_A     Y    63_A     15   33   78     28   51   61   65   66   66   67   68   70   72   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     K    64_A     K    64_A     15   33   78     19   51   61   65   66   66   67   68   70   72   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     A    65_A     A    65_A     15   33   78     17   51   61   65   66   66   67   68   70   72   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     E    66_A     E    66_A     15   33   78     16   49   61   65   66   66   67   68   70   72   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     R    67_A     R    67_A     15   33   78      3    5   11   19   50   64   67   68   70   72   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     G    68_A     G    68_A     19   33   78      4   17   40   61   66   66   67   68   70   72   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     D    69_A     D    69_A     19   33   78      7   41   61   65   66   66   67   68   70   72   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     L    70_A     L    70_A     19   33   78     28   51   61   65   66   66   67   68   70   72   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     I    71_A     I    71_A     19   33   78     16   51   61   65   66   66   67   68   70   72   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     T    72_A     T    72_A     19   33   78     13   51   61   65   66   66   67   68   70   72   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     I    73_A     I    73_A     19   33   78     22   51   61   65   66   66   67   68   70   72   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     F    74_A     F    74_A     19   33   78     28   51   61   65   66   66   67   68   70   72   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     D    75_A     D    75_A     19   33   78     28   51   61   65   66   66   67   68   70   72   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     S    76_A     S    76_A     19   33   78     28   51   61   65   66   66   67   68   70   72   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     S    77_A     S    77_A     19   33   78     13   51   61   65   66   66   67   68   70   72   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     D    78_A     D    78_A     19   33   78     28   51   61   65   66   66   67   68   70   72   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     L    79_A     L    79_A     19   33   78     28   51   61   65   66   66   67   68   70   72   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     S    80_A     S    80_A     19   33   78     28   51   61   65   66   66   67   68   70   72   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     F    81_A     F    81_A     19   33   78     28   51   61   65   66   66   67   68   70   72   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     A    82_A     A    82_A     19   33   78     28   51   61   65   66   66   67   68   70   72   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     I    83_A     I    83_A     19   33   78     22   51   61   65   66   66   67   68   70   72   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     Q    84_A     Q    84_A     19   33   78     28   51   61   65   66   66   67   68   70   72   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     C    85_A     C    85_A     19   33   78     12   51   61   65   66   66   67   68   70   72   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     S    86_A     S    86_A     19   33   78     28   51   61   65   66   66   67   68   70   72   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     R    87_A     R    87_A     19   33   78      3    6   17   27   63   65   67   68   70   72   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     I    88_A     I    88_A     10   32   78      6    7    9   10   10   13   24   30   51   62   71   74   74   74   74   74   75   75   76   76 
LCS_GDT     L    89_A     L    89_A     10   11   78      7    8    9   10   10   10   10   11   13   15   19   26   32   46   62   72   75   75   76   76 
LCS_GDT     K    90_A     K    90_A     10   11   78      7    8    9   10   10   10   10   11   13   15   18   23   28   35   45   56   65   74   76   76 
LCS_GDT     L    91_A     L    91_A     10   11   78      7    8    9   10   10   10   10   11   13   15   16   16   18   19   21   22   24   26   28   34 
LCS_GDT     T    92_A     T    92_A     10   11   78      7    8    9   10   10   10   10   11   13   15   16   16   18   19   21   22   24   26   28   29 
LCS_GDT     L    93_A     L    93_A     10   11   18      7    8    9   10   10   10   10   11   13   15   16   16   18   19   21   22   24   26   28   28 
LCS_GDT     F    94_A     F    94_A     10   11   18      7    8    9   10   10   10   10   11   13   15   16   16   18   19   21   22   23   26   28   28 
LCS_GDT     V    95_A     V    95_A     10   11   18      7    8    9   10   10   10   10   11   13   15   16   16   18   19   21   22   23   24   28   28 
LCS_GDT     N    96_A     N    96_A     10   11   18      5    8    9   10   10   10   10   11   13   13   15   15   16   17   19   20   21   21   24   25 
LCS_GDT     G    97_A     G    97_A      4   11   18      3    4    4    5    5    8   10   11   13   15   16   16   18   19   21   22   24   26   28   28 
LCS_GDT     Q    98_A     Q    98_A      4    5   18      3    4    4    5    5    6    7   11   13   15   16   16   18   19   21   22   24   26   28   28 
LCS_GDT     P    99_A     P    99_A      4    5   18      3    4    4    5    5    6    6    7    7    7   10   13   14   17   18   22   24   26   28   28 
LCS_GDT     R   100_A     R   100_A      4    5   18      3    4    4    5    5    6    6    7    7    7    8   12   14   17   18   19   21   21   25   25 
LCS_GDT     P   101_A     P   101_A      3    5   18      3    3    3    5    5    6    6    7    9   13   15   15   16   17   18   19   21   21   24   25 
LCS_AVERAGE  LCS_A:  48.25  (  26.15   36.08   82.52 )

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     28     51     61     65     66     66     67     68     70     72     73     74     74     74     74     74     75     75     76     76 
GDT PERCENT_AT  32.18  58.62  70.11  74.71  75.86  75.86  77.01  78.16  80.46  82.76  83.91  85.06  85.06  85.06  85.06  85.06  86.21  86.21  87.36  87.36
GDT RMS_LOCAL    0.33   0.62   0.81   0.98   1.04   1.04   1.13   1.24   1.56   1.97   2.12   2.31   2.31   2.31   2.31   2.31   2.66   2.66   3.08   3.08
GDT RMS_ALL_AT  16.40  16.33  16.32  16.27  16.28  16.28  16.28  16.28  16.22  16.07  16.01  15.99  15.99  15.99  15.99  15.99  15.93  15.93  15.84  15.84

# Checking swapping
#   possible swapping detected:  D    35_A      D    35_A
#   possible swapping detected:  E    40_A      E    40_A
#   possible swapping detected:  Y    63_A      Y    63_A
#   possible swapping detected:  E    66_A      E    66_A
#   possible swapping detected:  F    74_A      F    74_A
#   possible swapping detected:  F    94_A      F    94_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    K    15_A      K    15_A     1.572     0    0.510   1.102     8.575   71.429   48.148
LGA    L    16_A      L    16_A     1.177     0    0.041   1.207     3.722   85.952   77.857
LGA    I    17_A      I    17_A     0.282     0    0.038   0.935     2.209   95.238   85.417
LGA    I    18_A      I    18_A     0.433     0    0.041   0.121     0.905   97.619   94.048
LGA    K    19_A      K    19_A     0.380     0    0.095   0.928     4.738  100.000   79.788
LGA    A    20_A      A    20_A     0.370     0    0.053   0.056     0.645  100.000   98.095
LGA    Q    21_A      Q    21_A     0.559     0    0.064   1.065     4.437   92.857   82.011
LGA    L    22_A      L    22_A     0.908     0    0.043   1.119     3.305   90.476   80.952
LGA    G    23_A      G    23_A     1.114     0    0.077   0.077     1.114   83.690   83.690
LGA    E    24_A      E    24_A     1.184     0    0.125   0.709     2.691   88.333   82.857
LGA    D    25_A      D    25_A     0.683     0    0.074   0.108     1.525   90.476   86.012
LGA    I    26_A      I    26_A     0.334     0    0.037   0.109     0.423  100.000  100.000
LGA    R    27_A      R    27_A     0.242     0    0.052   1.121     7.719  100.000   65.584
LGA    R    28_A      R    28_A     0.604     0    0.061   1.020     5.352   90.595   68.831
LGA    I    29_A      I    29_A     0.785     0    0.034   0.253     1.224   92.857   90.536
LGA    P    30_A      P    30_A     0.891     0    0.098   0.429     1.701   83.810   85.374
LGA    I    31_A      I    31_A     0.821     0    0.065   0.578     2.121   92.857   85.119
LGA    H    32_A      H    32_A     0.707     0    0.038   1.582     6.588   88.214   56.000
LGA    N    33_A      N    33_A     2.355     0    0.234   1.020     5.552   75.119   57.321
LGA    E    34_A      E    34_A     1.336     0    0.067   0.942     5.971   81.548   59.577
LGA    D    35_A      D    35_A     1.652     0    0.292   1.006     3.388   71.548   71.369
LGA    I    36_A      I    36_A     1.291     0    0.170   1.054     3.349   79.286   70.357
LGA    T    37_A      T    37_A     0.689     0    0.036   0.069     0.990   90.476   91.837
LGA    Y    38_A      Y    38_A     1.247     0    0.056   0.920     5.504   83.690   64.246
LGA    D    39_A      D    39_A     0.802     0    0.038   0.079     1.111   90.476   87.083
LGA    E    40_A      E    40_A     0.538     0    0.058   1.228     5.126   95.238   74.392
LGA    L    41_A      L    41_A     0.760     0    0.019   1.043     3.739   90.476   75.119
LGA    V    42_A      V    42_A     0.782     0    0.026   1.171     3.544   90.476   79.932
LGA    L    43_A      L    43_A     0.728     0    0.019   0.227     2.138   90.476   85.000
LGA    M    44_A      M    44_A     0.552     0    0.046   0.710     3.486   95.238   80.417
LGA    M    45_A      M    45_A     0.202     0    0.021   0.757     2.195  100.000   92.024
LGA    Q    46_A      Q    46_A     1.167     0    0.078   0.774     1.840   83.690   83.492
LGA    R    47_A      R    47_A     1.632     0    0.042   1.229     4.590   77.143   65.584
LGA    V    48_A      V    48_A     1.240     0    0.097   0.124     1.623   79.286   80.204
LGA    F    49_A      F    49_A     0.483     0    0.047   0.126     1.231   92.857   88.874
LGA    R    50_A      R    50_A     1.416     0    0.474   1.225     8.833   75.119   38.182
LGA    G    51_A      G    51_A     6.128     0    0.749   0.749     7.517   18.690   18.690
LGA    K    52_A      K    52_A     8.364     0    0.665   0.850    16.737    6.429    2.857
LGA    L    53_A      L    53_A     8.134     0    0.566   1.062    10.290    4.881    3.214
LGA    L    54_A      L    54_A     7.951     0    0.060   1.354    13.078   15.714    8.452
LGA    S    55_A      S    55_A     5.819     0    0.165   0.623     8.862   28.810   20.873
LGA    N    56_A      N    56_A     2.780     0    0.228   1.233     6.784   55.952   45.357
LGA    D    57_A      D    57_A     2.312     0    0.131   1.277     7.156   66.905   48.393
LGA    E    58_A      E    58_A     0.867     0    0.095   0.692     2.213   83.810   82.646
LGA    V    59_A      V    59_A     0.849     0    0.123   0.117     1.385   90.476   86.599
LGA    T    60_A      T    60_A     0.858     0    0.046   0.828     2.667   90.476   83.197
LGA    I    61_A      I    61_A     1.180     0    0.075   1.106     2.824   81.429   74.167
LGA    K    62_A      K    62_A     0.933     0    0.048   0.233     1.211   85.952   86.455
LGA    Y    63_A      Y    63_A     0.796     0    0.063   0.263     1.171   92.857   89.762
LGA    K    64_A      K    64_A     0.534     0    0.055   1.087     6.324   95.238   73.175
LGA    A    65_A      A    65_A     0.410     0    0.041   0.061     0.808   95.238   96.190
LGA    E    66_A      E    66_A     0.752     0    0.625   0.754     1.932   83.810   86.614
LGA    R    67_A      R    67_A     4.272     0    0.409   1.601    16.615   50.476   21.645
LGA    G    68_A      G    68_A     2.641     0    0.123   0.123     3.023   59.167   59.167
LGA    D    69_A      D    69_A     1.269     0    0.047   0.990     3.564   83.810   71.667
LGA    L    70_A      L    70_A     0.348     0    0.053   0.943     3.508   97.619   84.821
LGA    I    71_A      I    71_A     0.636     0    0.050   1.021     3.204   92.857   79.226
LGA    T    72_A      T    72_A     1.200     0    0.079   1.071     2.783   83.690   78.027
LGA    I    73_A      I    73_A     0.675     0    0.042   0.084     0.913   90.476   92.857
LGA    F    74_A      F    74_A     0.712     0    0.101   0.254     1.344   90.476   87.186
LGA    D    75_A      D    75_A     0.654     0    0.027   1.258     4.410   90.476   78.393
LGA    S    76_A      S    76_A     0.641     0    0.059   0.703     2.473   90.476   86.190
LGA    S    77_A      S    77_A     1.111     0    0.075   0.688     2.292   85.952   80.238
LGA    D    78_A      D    78_A     0.776     0    0.038   0.135     1.672   92.857   88.333
LGA    L    79_A      L    79_A     0.378     0    0.037   0.206     0.753   97.619   97.619
LGA    S    80_A      S    80_A     0.475     0    0.040   0.585     2.796   97.619   89.683
LGA    F    81_A      F    81_A     0.395     0    0.039   1.347     5.505  100.000   72.857
LGA    A    82_A      A    82_A     0.479     0    0.025   0.045     0.688   97.619   96.190
LGA    I    83_A      I    83_A     0.445     0    0.031   0.614     1.328   97.619   92.976
LGA    Q    84_A      Q    84_A     0.348     0    0.029   1.301     5.988   95.238   72.646
LGA    C    85_A      C    85_A     1.076     0    0.261   0.766     3.820   79.524   73.810
LGA    S    86_A      S    86_A     0.615     0    0.101   0.712     3.950   83.810   76.667
LGA    R    87_A      R    87_A     3.830     0    0.516   1.503     8.355   30.595   29.307
LGA    I    88_A      I    88_A     8.303     0    0.065   1.368    10.433    9.524    6.071
LGA    L    89_A      L    89_A    12.086     0    0.116   1.107    17.051    0.000    0.000
LGA    K    90_A      K    90_A    14.528     0    0.071   0.999    16.794    0.000    2.434
LGA    L    91_A      L    91_A    21.585     0    0.022   0.888    23.791    0.000    0.000
LGA    T    92_A      T    92_A    26.122     0    0.028   1.047    29.471    0.000    0.000
LGA    L    93_A      L    93_A    33.548     0    0.045   0.908    37.643    0.000    0.000
LGA    F    94_A      F    94_A    38.802     0    0.044   0.139    42.385    0.000    0.000
LGA    V    95_A      V    95_A    46.006     0    0.077   1.036    48.623    0.000    0.000
LGA    N    96_A      N    96_A    50.955     0    0.347   0.295    52.726    0.000    0.000
LGA    G    97_A      G    97_A    51.582     0    0.736   0.736    51.582    0.000    0.000
LGA    Q    98_A      Q    98_A    51.441     0    0.078   1.330    54.358    0.000    0.000
LGA    P    99_A      P    99_A    50.061     0    0.718   0.607    50.871    0.000    0.000
LGA    R   100_A      R   100_A    53.844     0    0.397   0.726    55.071    0.000    0.000
LGA    P   101_A      P   101_A    55.211     0    0.434   0.404    56.949    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       87     348    348  100.00     706    706  100.00                87
SUMMARY(RMSD_GDC):    13.804         13.904                 13.859           68.744   61.149

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  101   87    4.0     68    1.24    74.138    66.562     5.059

LGA_LOCAL      RMSD:   1.244  Number of atoms:   68  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  16.279  Number of assigned atoms:   87 
Std_ASGN_ATOMS RMSD:  13.804  Standard rmsd on all 87 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.263658 * X  +   0.520284 * Y  +  -0.812274 * Z  +  13.195385
  Y_new =   0.431511 * X  +  -0.689501 * Y  +  -0.581710 * Z  +  10.514790
  Z_new =  -0.862718 * X  +  -0.503878 * Y  +  -0.042715 * Z  +  42.557343 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.119274  1.040620 -1.655368   [DEG:  121.4254   59.6231  -94.8456 ]
ZXZ: -0.949313  1.613525 -2.099412   [DEG:  -54.3917   92.4482 -120.2874 ]
 
# END of job
