
#######################################################
#                                                     #
#                        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        4.53    14.03
  LCS_AVERAGE:     82.64

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    75      15_A - 89_A        1.99    14.44
  LCS_AVERAGE:     76.85

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    72      15_A - 86_A        0.91    14.54
  LCS_AVERAGE:     71.65

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     72   75   78     45   63   68   69   71   72   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     L    16_A     L    16_A     72   75   78     48   63   68   69   71   72   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     I    17_A     I    17_A     72   75   78     48   63   68   69   71   72   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     I    18_A     I    18_A     72   75   78     48   63   68   69   71   72   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     K    19_A     K    19_A     72   75   78     48   63   68   69   71   72   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     A    20_A     A    20_A     72   75   78     48   63   68   69   71   72   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     Q    21_A     Q    21_A     72   75   78     48   63   68   69   71   72   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     L    22_A     L    22_A     72   75   78     48   63   68   69   71   72   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     G    23_A     G    23_A     72   75   78     43   63   68   69   71   72   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     E    24_A     E    24_A     72   75   78     43   63   68   69   71   72   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     D    25_A     D    25_A     72   75   78     48   63   68   69   71   72   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     I    26_A     I    26_A     72   75   78     48   63   68   69   71   72   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     R    27_A     R    27_A     72   75   78     25   63   68   69   71   72   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     R    28_A     R    28_A     72   75   78     25   63   68   69   71   72   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     I    29_A     I    29_A     72   75   78     48   63   68   69   71   72   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     P    30_A     P    30_A     72   75   78     48   63   68   69   71   72   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     I    31_A     I    31_A     72   75   78     33   63   68   69   71   72   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     H    32_A     H    32_A     72   75   78      4   20   65   69   71   72   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     N    33_A     N    33_A     72   75   78      3    4    5    5   46   70   71   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     E    34_A     E    34_A     72   75   78      3    4   11   64   71   72   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     D    35_A     D    35_A     72   75   78      3    4    5   68   71   72   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     I    36_A     I    36_A     72   75   78     44   63   68   69   71   72   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     T    37_A     T    37_A     72   75   78     48   63   68   69   71   72   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     Y    38_A     Y    38_A     72   75   78     48   63   68   69   71   72   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     D    39_A     D    39_A     72   75   78     40   63   68   69   71   72   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     E    40_A     E    40_A     72   75   78     48   63   68   69   71   72   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     L    41_A     L    41_A     72   75   78     48   63   68   69   71   72   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     V    42_A     V    42_A     72   75   78     48   63   68   69   71   72   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     L    43_A     L    43_A     72   75   78     48   63   68   69   71   72   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     M    44_A     M    44_A     72   75   78     48   63   68   69   71   72   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     M    45_A     M    45_A     72   75   78     48   63   68   69   71   72   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     Q    46_A     Q    46_A     72   75   78     48   63   68   69   71   72   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     R    47_A     R    47_A     72   75   78     48   63   68   69   71   72   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     V    48_A     V    48_A     72   75   78     48   63   68   69   71   72   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     F    49_A     F    49_A     72   75   78     48   63   68   69   71   72   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     R    50_A     R    50_A     72   75   78     15   63   68   69   71   72   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     G    51_A     G    51_A     72   75   78     48   63   68   69   71   72   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     K    52_A     K    52_A     72   75   78     48   63   68   69   71   72   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     L    53_A     L    53_A     72   75   78      8   37   68   69   71   72   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     L    54_A     L    54_A     72   75   78      8   63   68   69   71   72   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     S    55_A     S    55_A     72   75   78     48   63   68   69   71   72   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     N    56_A     N    56_A     72   75   78     48   63   68   69   71   72   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     D    57_A     D    57_A     72   75   78     48   63   68   69   71   72   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     E    58_A     E    58_A     72   75   78     41   63   68   69   71   72   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     V    59_A     V    59_A     72   75   78     48   63   68   69   71   72   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     T    60_A     T    60_A     72   75   78     48   63   68   69   71   72   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     I    61_A     I    61_A     72   75   78     48   63   68   69   71   72   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     K    62_A     K    62_A     72   75   78     48   63   68   69   71   72   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     Y    63_A     Y    63_A     72   75   78     48   63   68   69   71   72   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     K    64_A     K    64_A     72   75   78     48   63   68   69   71   72   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     A    65_A     A    65_A     72   75   78     48   63   68   69   71   72   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     E    66_A     E    66_A     72   75   78      4   63   68   69   71   72   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     R    67_A     R    67_A     72   75   78     15   61   68   69   71   72   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     G    68_A     G    68_A     72   75   78     10   61   68   69   71   72   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     D    69_A     D    69_A     72   75   78     19   61   68   69   71   72   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     L    70_A     L    70_A     72   75   78     48   63   68   69   71   72   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     I    71_A     I    71_A     72   75   78     48   63   68   69   71   72   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     T    72_A     T    72_A     72   75   78     48   63   68   69   71   72   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     I    73_A     I    73_A     72   75   78     48   63   68   69   71   72   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     F    74_A     F    74_A     72   75   78     48   63   68   69   71   72   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     D    75_A     D    75_A     72   75   78     48   63   68   69   71   72   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     S    76_A     S    76_A     72   75   78     48   63   68   69   71   72   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     S    77_A     S    77_A     72   75   78     48   63   68   69   71   72   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     D    78_A     D    78_A     72   75   78     48   63   68   69   71   72   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     L    79_A     L    79_A     72   75   78     48   63   68   69   71   72   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     S    80_A     S    80_A     72   75   78     48   63   68   69   71   72   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     F    81_A     F    81_A     72   75   78     48   63   68   69   71   72   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     A    82_A     A    82_A     72   75   78     48   63   68   69   71   72   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     I    83_A     I    83_A     72   75   78     48   63   68   69   71   72   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     Q    84_A     Q    84_A     72   75   78     48   63   68   69   71   72   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     C    85_A     C    85_A     72   75   78     12   63   68   69   71   72   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     S    86_A     S    86_A     72   75   78     13   61   68   69   71   72   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     R    87_A     R    87_A     54   75   78      4   13   26   50   70   72   72   73   73   73   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     I    88_A     I    88_A     14   75   78     10   13   14   14   14   18   28   32   48   66   73   74   74   74   74   74   75   75   76   76 
LCS_GDT     L    89_A     L    89_A     14   75   78     10   13   14   14   14   14   15   16   16   17   18   20   27   34   46   61   75   75   76   76 
LCS_GDT     K    90_A     K    90_A     14   16   78     10   13   14   14   14   14   15   16   16   17   18   20   27   32   37   45   55   62   76   76 
LCS_GDT     L    91_A     L    91_A     14   16   78     10   13   14   14   14   14   15   16   16   17   18   20   21   22   22   24   26   28   29   30 
LCS_GDT     T    92_A     T    92_A     14   16   78     10   13   14   14   14   14   15   16   16   17   18   20   21   22   22   24   26   28   29   29 
LCS_GDT     L    93_A     L    93_A     14   16   19     10   13   14   14   14   14   15   16   16   17   18   20   21   22   22   24   26   28   29   29 
LCS_GDT     F    94_A     F    94_A     14   16   19     10   13   14   14   14   14   15   16   16   17   18   20   21   22   22   24   26   28   29   29 
LCS_GDT     V    95_A     V    95_A     14   16   19     10   13   14   14   14   14   15   16   16   17   18   20   21   22   22   24   25   26   28   28 
LCS_GDT     N    96_A     N    96_A     14   16   19     10   13   14   14   14   14   15   16   16   16   17   20   20   22   22   23   25   26   28   28 
LCS_GDT     G    97_A     G    97_A     14   16   19     10   13   14   14   14   14   15   16   16   17   18   20   21   22   22   24   25   26   28   28 
LCS_GDT     Q    98_A     Q    98_A     14   16   19      4   13   14   14   14   14   15   16   16   17   18   20   21   22   22   24   26   28   29   29 
LCS_GDT     P    99_A     P    99_A     14   16   19      3   13   14   14   14   14   15   16   16   17   18   20   21   22   22   24   26   28   29   29 
LCS_GDT     R   100_A     R   100_A     14   16   19      3   12   14   14   14   14   15   16   16   16   18   20   21   22   22   24   25   28   29   29 
LCS_GDT     P   101_A     P   101_A      3   16   19      3    3    3    8    8    8   13   16   16   17   18   20   21   22   22   24   26   28   29   29 
LCS_AVERAGE  LCS_A:  77.05  (  71.65   76.85   82.64 )

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     48     63     68     69     71     72     72     73     73     73     73     74     74     74     74     74     75     75     76     76 
GDT PERCENT_AT  55.17  72.41  78.16  79.31  81.61  82.76  82.76  83.91  83.91  83.91  83.91  85.06  85.06  85.06  85.06  85.06  86.21  86.21  87.36  87.36
GDT RMS_LOCAL    0.32   0.46   0.58   0.63   0.76   0.87   0.87   1.00   1.00   1.00   1.00   1.39   1.39   1.39   1.39   1.39   1.99   1.99   2.58   2.58
GDT RMS_ALL_AT  14.55  14.54  14.54  14.54  14.55  14.54  14.54  14.53  14.53  14.53  14.53  14.50  14.50  14.50  14.50  14.50  14.44  14.44  14.35  14.35

# Checking swapping
#   possible swapping detected:  E    34_A      E    34_A
#   possible swapping detected:  D    35_A      D    35_A
#   possible swapping detected:  E    58_A      E    58_A
#   possible swapping detected:  E    66_A      E    66_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     0.566     0    0.465   1.063     5.688   88.333   60.159
LGA    L    16_A      L    16_A     0.382     0    0.019   0.081     0.821  100.000   96.429
LGA    I    17_A      I    17_A     0.266     0    0.018   0.079     0.740  100.000   96.429
LGA    I    18_A      I    18_A     0.462     0    0.032   0.080     0.644   95.238   95.238
LGA    K    19_A      K    19_A     0.433     0    0.041   0.256     2.668  100.000   87.090
LGA    A    20_A      A    20_A     0.197     0    0.029   0.031     0.427  100.000  100.000
LGA    Q    21_A      Q    21_A     0.178     0    0.021   0.167     0.484  100.000  100.000
LGA    L    22_A      L    22_A     0.377     0    0.028   0.061     0.798   97.619   95.238
LGA    G    23_A      G    23_A     0.748     0    0.029   0.029     0.748   90.476   90.476
LGA    E    24_A      E    24_A     0.820     0    0.034   0.902     3.978   90.476   78.519
LGA    D    25_A      D    25_A     0.518     0    0.010   0.811     4.125   95.238   76.131
LGA    I    26_A      I    26_A     0.272     0    0.019   0.082     0.553   97.619   98.810
LGA    R    27_A      R    27_A     0.780     0    0.031   1.092     4.229   90.476   81.688
LGA    R    28_A      R    28_A     0.814     0    0.028   1.230     6.120   90.476   72.511
LGA    I    29_A      I    29_A     0.476     0    0.012   0.465     0.791   97.619   94.048
LGA    P    30_A      P    30_A     0.444     0    0.058   0.067     0.908   95.238   93.197
LGA    I    31_A      I    31_A     0.686     0    0.021   0.590     1.426   92.857   88.274
LGA    H    32_A      H    32_A     2.145     0    0.577   0.915     4.880   61.667   51.000
LGA    N    33_A      N    33_A     4.266     0    0.624   1.223     8.974   46.905   26.964
LGA    E    34_A      E    34_A     2.502     0    0.034   0.970     4.770   58.214   48.677
LGA    D    35_A      D    35_A     2.889     0    0.237   1.074     4.362   66.905   55.179
LGA    I    36_A      I    36_A     0.684     0    0.032   0.119     1.118   85.952   89.405
LGA    T    37_A      T    37_A     0.512     0    0.040   0.062     0.633   95.238   93.197
LGA    Y    38_A      Y    38_A     0.438     0    0.011   0.088     0.464  100.000  100.000
LGA    D    39_A      D    39_A     0.644     0    0.016   0.091     1.452   95.238   89.464
LGA    E    40_A      E    40_A     0.384     0    0.038   0.212     0.800  100.000   98.942
LGA    L    41_A      L    41_A     0.101     0    0.017   0.075     0.196  100.000  100.000
LGA    V    42_A      V    42_A     0.237     0    0.020   1.342     2.569  100.000   88.844
LGA    L    43_A      L    43_A     0.207     0    0.028   1.252     2.559  100.000   90.238
LGA    M    44_A      M    44_A     0.127     0    0.033   0.725     2.224  100.000   86.786
LGA    M    45_A      M    45_A     0.318     0    0.040   0.086     0.550  100.000   97.619
LGA    Q    46_A      Q    46_A     0.320     0    0.020   0.283     0.850  100.000   95.767
LGA    R    47_A      R    47_A     0.265     0    0.025   1.455     8.824  100.000   61.299
LGA    V    48_A      V    48_A     0.300     0    0.011   0.041     0.376  100.000  100.000
LGA    F    49_A      F    49_A     0.195     0    0.039   0.089     0.447  100.000  100.000
LGA    R    50_A      R    50_A     0.925     0    0.170   1.129     3.041   95.238   82.900
LGA    G    51_A      G    51_A     0.411     0    0.131   0.131     0.411  100.000  100.000
LGA    K    52_A      K    52_A     0.203     0    0.047   0.927     3.640   97.619   83.016
LGA    L    53_A      L    53_A     1.135     0    0.157   1.259     2.925   79.286   75.238
LGA    L    54_A      L    54_A     0.728     0    0.067   1.239     3.315   95.238   83.452
LGA    S    55_A      S    55_A     0.439     0    0.012   0.668     2.139   97.619   90.952
LGA    N    56_A      N    56_A     0.499     0    0.031   1.183     3.970   97.619   84.821
LGA    D    57_A      D    57_A     0.318     0    0.024   0.129     0.502  100.000   98.810
LGA    E    58_A      E    58_A     0.611     0    0.019   0.633     2.922   92.857   76.720
LGA    V    59_A      V    59_A     0.502     0    0.015   1.332     2.629   95.238   84.762
LGA    T    60_A      T    60_A     0.269     0    0.014   0.170     0.509  100.000   98.639
LGA    I    61_A      I    61_A     0.222     0    0.016   0.028     0.548  100.000   98.810
LGA    K    62_A      K    62_A     0.087     0    0.031   0.107     0.424  100.000  100.000
LGA    Y    63_A      Y    63_A     0.100     0    0.032   0.184     0.469  100.000  100.000
LGA    K    64_A      K    64_A     0.174     0    0.016   0.597     2.703  100.000   83.492
LGA    A    65_A      A    65_A     0.451     0    0.028   0.038     0.659   97.619   96.190
LGA    E    66_A      E    66_A     1.120     0    0.637   0.608     3.379   75.833   71.534
LGA    R    67_A      R    67_A     1.483     0    0.227   1.333    12.061   81.429   41.645
LGA    G    68_A      G    68_A     1.375     0    0.084   0.084     1.420   81.429   81.429
LGA    D    69_A      D    69_A     1.413     0    0.016   0.987     2.610   88.333   79.702
LGA    L    70_A      L    70_A     0.371     0    0.072   1.349     3.081   95.238   83.452
LGA    I    71_A      I    71_A     0.290     0    0.021   0.070     0.403  100.000  100.000
LGA    T    72_A      T    72_A     0.276     0    0.013   0.032     0.335  100.000  100.000
LGA    I    73_A      I    73_A     0.365     0    0.041   0.058     0.454  100.000  100.000
LGA    F    74_A      F    74_A     0.184     0    0.019   0.064     0.318  100.000  100.000
LGA    D    75_A      D    75_A     0.253     0    0.022   0.122     0.376  100.000  100.000
LGA    S    76_A      S    76_A     0.206     0    0.027   0.030     0.237  100.000  100.000
LGA    S    77_A      S    77_A     0.347     0    0.015   0.571     1.619  100.000   93.889
LGA    D    78_A      D    78_A     0.351     0    0.024   0.080     0.355  100.000  100.000
LGA    L    79_A      L    79_A     0.289     0    0.026   0.059     0.432  100.000  100.000
LGA    S    80_A      S    80_A     0.177     0    0.024   0.024     0.251  100.000  100.000
LGA    F    81_A      F    81_A     0.473     0    0.018   0.236     1.109  100.000   92.294
LGA    A    82_A      A    82_A     0.407     0    0.032   0.034     0.481  100.000  100.000
LGA    I    83_A      I    83_A     0.222     0    0.042   0.091     0.706  100.000   98.810
LGA    Q    84_A      Q    84_A     0.558     0    0.167   0.909     4.431   92.857   75.185
LGA    C    85_A      C    85_A     0.970     0    0.137   0.138     1.731   88.214   84.524
LGA    S    86_A      S    86_A     1.299     0    0.609   0.812     5.230   75.357   64.127
LGA    R    87_A      R    87_A     3.578     0    0.553   1.424    11.009   32.262   18.139
LGA    I    88_A      I    88_A     8.458     0    0.037   0.573    12.104    7.976    4.226
LGA    L    89_A      L    89_A    12.550     0    0.045   0.101    18.510    0.000    0.000
LGA    K    90_A      K    90_A    14.868     0    0.013   0.850    17.208    0.000    3.280
LGA    L    91_A      L    91_A    22.069     0    0.012   1.253    24.032    0.000    0.000
LGA    T    92_A      T    92_A    26.365     0    0.031   1.117    29.774    0.000    0.000
LGA    L    93_A      L    93_A    33.877     0    0.032   1.049    35.488    0.000    0.000
LGA    F    94_A      F    94_A    39.263     0    0.020   0.032    42.737    0.000    0.000
LGA    V    95_A      V    95_A    46.470     0    0.011   1.333    48.321    0.000    0.000
LGA    N    96_A      N    96_A    51.922     0    0.059   0.108    56.286    0.000    0.000
LGA    G    97_A      G    97_A    46.931     0    0.055   0.055    48.307    0.000    0.000
LGA    Q    98_A      Q    98_A    43.886     0    0.087   1.046    48.237    0.000    0.000
LGA    P    99_A      P    99_A    37.598     0    0.686   0.614    39.494    0.000    0.000
LGA    R   100_A      R   100_A    40.531     0    0.393   1.481    42.821    0.000    0.000
LGA    P   101_A      P   101_A    43.937     0    0.134   0.127    45.770    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):    12.504         12.522                 12.572           78.150   72.502

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  101   87    4.0     73    1.00    80.172    80.415     6.629

LGA_LOCAL      RMSD:   1.001  Number of atoms:   73  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  14.529  Number of assigned atoms:   87 
Std_ASGN_ATOMS RMSD:  12.504  Standard rmsd on all 87 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.941949 * X  +  -0.219368 * Y  +   0.254186 * Z  + -13.944642
  Y_new =   0.270475 * X  +   0.047210 * Y  +  -0.961569 * Z  +  14.504818
  Z_new =   0.198937 * X  +   0.974499 * Y  +   0.103803 * Z  +   1.138056 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.279621 -0.200273  1.464677   [DEG:   16.0211  -11.4748   83.9198 ]
ZXZ:  0.258433  1.466806  0.201376   [DEG:   14.8071   84.0418   11.5380 ]
 
# END of job
