
#######################################################
#                                                     #
#                        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        4.54    13.91
  LCS_AVERAGE:     82.64

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    75      15_A - 89_A        1.93    14.32
  LCS_AVERAGE:     76.85

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    73      15_A - 87_A        0.76    14.41
  LCS_AVERAGE:     72.85

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     73   75   78     17   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    16_A     L    16_A     73   75   78     17   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    17_A     I    17_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    18_A     I    18_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     K    19_A     K    19_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     A    20_A     A    20_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     Q    21_A     Q    21_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    22_A     L    22_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     G    23_A     G    23_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     E    24_A     E    24_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     D    25_A     D    25_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    26_A     I    26_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     R    27_A     R    27_A     73   75   78     44   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     R    28_A     R    28_A     73   75   78     50   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    29_A     I    29_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     P    30_A     P    30_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    31_A     I    31_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     H    32_A     H    32_A     73   75   78     26   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     N    33_A     N    33_A     73   75   78     40   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     E    34_A     E    34_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     D    35_A     D    35_A     73   75   78     39   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    36_A     I    36_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     T    37_A     T    37_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     Y    38_A     Y    38_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     D    39_A     D    39_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     E    40_A     E    40_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    41_A     L    41_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     V    42_A     V    42_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    43_A     L    43_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     M    44_A     M    44_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     M    45_A     M    45_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     Q    46_A     Q    46_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     R    47_A     R    47_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     V    48_A     V    48_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     F    49_A     F    49_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     R    50_A     R    50_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     G    51_A     G    51_A     73   75   78      9   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     K    52_A     K    52_A     73   75   78     49   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    53_A     L    53_A     73   75   78      6   29   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    54_A     L    54_A     73   75   78      6   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     S    55_A     S    55_A     73   75   78     27   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     N    56_A     N    56_A     73   75   78     20   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     D    57_A     D    57_A     73   75   78     44   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     E    58_A     E    58_A     73   75   78      8   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     V    59_A     V    59_A     73   75   78     47   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     T    60_A     T    60_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    61_A     I    61_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     K    62_A     K    62_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     Y    63_A     Y    63_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     K    64_A     K    64_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     A    65_A     A    65_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     E    66_A     E    66_A     73   75   78     34   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     R    67_A     R    67_A     73   75   78      6   61   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     G    68_A     G    68_A     73   75   78     41   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     D    69_A     D    69_A     73   75   78     49   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    70_A     L    70_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    71_A     I    71_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     T    72_A     T    72_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    73_A     I    73_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     F    74_A     F    74_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     D    75_A     D    75_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     S    76_A     S    76_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     S    77_A     S    77_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     D    78_A     D    78_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    79_A     L    79_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     S    80_A     S    80_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     F    81_A     F    81_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     A    82_A     A    82_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    83_A     I    83_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     Q    84_A     Q    84_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     C    85_A     C    85_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     S    86_A     S    86_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     R    87_A     R    87_A     73   75   78      4    9   16   29   55   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    88_A     I    88_A     14   75   78      9   12   14   14   14   17   26   33   43   63   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    89_A     L    89_A     14   75   78      9   12   14   14   14   14   16   16   16   17   18   19   27   34   41   53   68   75   75   76 
LCS_GDT     K    90_A     K    90_A     14   16   78      9   12   14   14   14   14   16   16   16   17   18   19   27   34   39   46   51   66   75   76 
LCS_GDT     L    91_A     L    91_A     14   16   78      9   12   14   14   14   14   16   16   16   17   18   19   20   21   23   23   25   28   29   34 
LCS_GDT     T    92_A     T    92_A     14   16   78      9   12   14   14   14   14   16   16   16   17   18   19   20   21   23   23   25   28   29   30 
LCS_GDT     L    93_A     L    93_A     14   16   19      9   12   14   14   14   14   16   16   16   17   18   19   20   21   23   23   25   28   29   30 
LCS_GDT     F    94_A     F    94_A     14   16   19      9   12   14   14   14   14   16   16   16   17   18   19   20   21   23   23   25   28   29   30 
LCS_GDT     V    95_A     V    95_A     14   16   19      9   12   14   14   14   14   16   16   16   17   18   19   20   21   23   23   25   26   28   30 
LCS_GDT     N    96_A     N    96_A     14   16   19      9   12   14   14   14   14   16   16   16   17   18   19   20   21   23   23   24   26   28   30 
LCS_GDT     G    97_A     G    97_A     14   16   19      9   12   14   14   14   14   16   16   16   17   18   19   20   21   23   23   25   26   28   30 
LCS_GDT     Q    98_A     Q    98_A     14   16   19      4   12   14   14   14   14   16   16   16   17   18   19   20   21   23   23   25   28   29   30 
LCS_GDT     P    99_A     P    99_A     14   16   19      9   12   14   14   14   14   16   16   16   17   18   19   20   21   23   23   25   28   29   30 
LCS_GDT     R   100_A     R   100_A     14   16   19      3    9   14   14   14   14   16   16   16   17   18   19   20   21   23   23   25   28   29   30 
LCS_GDT     P   101_A     P   101_A      3   16   19      3    3    3    8   12   14   16   16   16   17   18   19   20   21   23   23   25   28   29   30 
LCS_AVERAGE  LCS_A:  77.45  (  72.85   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     51     69     72     72     72     73     73     73     73     73     74     74     74     74     74     74     74     75     75     76 
GDT PERCENT_AT  58.62  79.31  82.76  82.76  82.76  83.91  83.91  83.91  83.91  83.91  85.06  85.06  85.06  85.06  85.06  85.06  85.06  86.21  86.21  87.36
GDT RMS_LOCAL    0.31   0.49   0.56   0.56   0.56   0.76   0.76   0.76   0.76   0.76   1.23   1.23   1.23   1.23   1.23   1.23   1.23   1.93   1.93   2.55
GDT RMS_ALL_AT  14.42  14.44  14.42  14.42  14.42  14.41  14.41  14.41  14.41  14.41  14.38  14.38  14.38  14.38  14.38  14.38  14.38  14.32  14.32  14.23

# Checking swapping
#   possible swapping detected:  E    24_A      E    24_A
#   possible swapping detected:  E    34_A      E    34_A
#   possible swapping detected:  Y    38_A      Y    38_A
#   possible swapping detected:  E    40_A      E    40_A
#   possible swapping detected:  E    58_A      E    58_A
#   possible swapping detected:  E    66_A      E    66_A
#   possible swapping detected:  D    69_A      D    69_A
#   possible swapping detected:  F    74_A      F    74_A
#   possible swapping detected:  F    81_A      F    81_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     1.001     0    0.503   1.315     7.889   75.833   50.899
LGA    L    16_A      L    16_A     1.090     0    0.016   0.096     1.237   88.333   84.881
LGA    I    17_A      I    17_A     0.511     0    0.078   0.113     1.267   95.238   90.595
LGA    I    18_A      I    18_A     0.170     0    0.023   0.629     1.543   97.619   94.226
LGA    K    19_A      K    19_A     0.319     0    0.085   0.355     2.101  100.000   92.963
LGA    A    20_A      A    20_A     0.268     0    0.012   0.031     0.457  100.000  100.000
LGA    Q    21_A      Q    21_A     0.188     0    0.011   0.103     0.485  100.000  100.000
LGA    L    22_A      L    22_A     0.468     0    0.052   0.072     1.043  100.000   94.107
LGA    G    23_A      G    23_A     0.398     0    0.034   0.034     0.492  100.000  100.000
LGA    E    24_A      E    24_A     0.375     0    0.031   0.972     5.662  100.000   76.402
LGA    D    25_A      D    25_A     0.397     0    0.074   0.932     3.726  100.000   80.476
LGA    I    26_A      I    26_A     0.590     0    0.087   0.150     1.160   88.214   89.345
LGA    R    27_A      R    27_A     0.835     0    0.059   1.067     4.340   92.857   82.597
LGA    R    28_A      R    28_A     0.714     0    0.036   1.294     6.272   90.476   69.654
LGA    I    29_A      I    29_A     0.635     0    0.023   0.096     0.863   92.857   92.857
LGA    P    30_A      P    30_A     0.694     0    0.015   0.049     1.109   90.476   89.184
LGA    I    31_A      I    31_A     0.505     0    0.045   0.513     1.647   97.619   90.714
LGA    H    32_A      H    32_A     0.743     0    0.195   0.394     2.188   88.214   80.857
LGA    N    33_A      N    33_A     0.681     0    0.037   0.799     2.731   90.476   81.012
LGA    E    34_A      E    34_A     0.420     0    0.044   0.412     2.109   97.619   91.905
LGA    D    35_A      D    35_A     0.681     0    0.055   1.207     3.825   88.214   75.179
LGA    I    36_A      I    36_A     0.337     0    0.041   0.058     0.659  100.000   96.429
LGA    T    37_A      T    37_A     0.257     0    0.019   0.123     0.570  100.000   98.639
LGA    Y    38_A      Y    38_A     0.214     0    0.016   0.126     0.447  100.000  100.000
LGA    D    39_A      D    39_A     0.305     0    0.028   0.110     0.865  100.000   96.429
LGA    E    40_A      E    40_A     0.285     0    0.018   0.136     0.550  100.000   98.942
LGA    L    41_A      L    41_A     0.140     0    0.029   0.070     0.333  100.000  100.000
LGA    V    42_A      V    42_A     0.069     0    0.030   0.050     0.203  100.000  100.000
LGA    L    43_A      L    43_A     0.152     0    0.033   0.131     0.508  100.000   98.810
LGA    M    44_A      M    44_A     0.146     0    0.053   1.089     1.855  100.000   89.821
LGA    M    45_A      M    45_A     0.130     0    0.035   0.091     0.331  100.000  100.000
LGA    Q    46_A      Q    46_A     0.117     0    0.016   0.241     0.619  100.000   98.942
LGA    R    47_A      R    47_A     0.116     0    0.044   1.289     5.257  100.000   81.169
LGA    V    48_A      V    48_A     0.466     0    0.099   1.267     2.457  100.000   88.571
LGA    F    49_A      F    49_A     0.266     0    0.021   0.070     0.563  100.000   98.268
LGA    R    50_A      R    50_A     0.264     0    0.550   1.347     5.668   85.119   73.333
LGA    G    51_A      G    51_A     1.292     0    0.093   0.093     1.518   81.548   81.548
LGA    K    52_A      K    52_A     0.521     0    0.054   0.776     2.306   90.476   86.614
LGA    L    53_A      L    53_A     1.366     0    0.101   0.101     1.892   79.286   79.286
LGA    L    54_A      L    54_A     0.905     0    0.066   0.142     1.568   90.476   86.012
LGA    S    55_A      S    55_A     0.859     0    0.079   0.144     1.140   88.214   88.968
LGA    N    56_A      N    56_A     0.905     0    0.037   0.765     2.301   88.214   85.000
LGA    D    57_A      D    57_A     0.557     0    0.082   0.121     0.831   90.476   94.048
LGA    E    58_A      E    58_A     0.963     0    0.049   0.499     2.210   90.476   83.598
LGA    V    59_A      V    59_A     0.532     0    0.073   0.085     0.723   95.238   94.558
LGA    T    60_A      T    60_A     0.316     0    0.056   0.248     0.900  100.000   97.279
LGA    I    61_A      I    61_A     0.246     0    0.012   0.095     0.624  100.000   98.810
LGA    K    62_A      K    62_A     0.203     0    0.077   0.168     0.791  100.000   98.942
LGA    Y    63_A      Y    63_A     0.375     0    0.020   0.132     1.026  100.000   95.278
LGA    K    64_A      K    64_A     0.254     0    0.034   0.804     4.384  100.000   78.942
LGA    A    65_A      A    65_A     0.343     0    0.034   0.039     0.487  100.000  100.000
LGA    E    66_A      E    66_A     0.899     0    0.638   0.870     3.195   78.095   80.952
LGA    R    67_A      R    67_A     1.561     0    0.292   1.252    10.502   83.810   44.156
LGA    G    68_A      G    68_A     0.744     0    0.104   0.104     1.019   88.214   88.214
LGA    D    69_A      D    69_A     0.668     0    0.018   1.112     3.388   95.238   82.381
LGA    L    70_A      L    70_A     0.400     0    0.109   0.146     0.982   95.238   97.619
LGA    I    71_A      I    71_A     0.260     0    0.012   0.636     2.235  100.000   95.595
LGA    T    72_A      T    72_A     0.295     0    0.017   0.053     0.314  100.000  100.000
LGA    I    73_A      I    73_A     0.398     0    0.015   0.129     0.634  100.000   97.619
LGA    F    74_A      F    74_A     0.285     0    0.031   1.292     6.195  100.000   67.100
LGA    D    75_A      D    75_A     0.160     0    0.061   0.128     0.545  100.000   98.810
LGA    S    76_A      S    76_A     0.129     0    0.064   0.061     0.360  100.000  100.000
LGA    S    77_A      S    77_A     0.499     0    0.052   0.532     1.119  100.000   95.317
LGA    D    78_A      D    78_A     0.326     0    0.019   0.061     0.610  100.000   98.810
LGA    L    79_A      L    79_A     0.058     0    0.013   0.027     0.282  100.000  100.000
LGA    S    80_A      S    80_A     0.411     0    0.015   0.699     2.245  100.000   92.540
LGA    F    81_A      F    81_A     0.516     0    0.033   0.131     1.043   97.619   91.429
LGA    A    82_A      A    82_A     0.209     0    0.045   0.043     0.273  100.000  100.000
LGA    I    83_A      I    83_A     0.362     0    0.023   0.113     0.871   97.619   95.238
LGA    Q    84_A      Q    84_A     0.491     0    0.036   0.958     5.288   97.619   74.709
LGA    C    85_A      C    85_A     0.304     0    0.140   0.156     1.025   95.357   93.730
LGA    S    86_A      S    86_A     0.397     0    0.593   0.750     4.169   75.476   68.333
LGA    R    87_A      R    87_A     4.356     0    0.467   1.247     8.911   27.619   35.801
LGA    I    88_A      I    88_A     8.498     0    0.203   0.621    10.841    7.619    4.583
LGA    L    89_A      L    89_A    13.040     0    0.084   0.950    18.774    0.000    0.000
LGA    K    90_A      K    90_A    15.049     0    0.056   0.568    17.432    0.000    2.540
LGA    L    91_A      L    91_A    22.292     0    0.040   0.070    25.592    0.000    0.000
LGA    T    92_A      T    92_A    26.526     0    0.050   1.051    29.917    0.000    0.000
LGA    L    93_A      L    93_A    34.031     0    0.082   1.036    35.570    0.000    0.000
LGA    F    94_A      F    94_A    39.166     0    0.011   0.143    42.666    0.000    0.000
LGA    V    95_A      V    95_A    46.368     0    0.015   0.019    50.032    0.000    0.000
LGA    N    96_A      N    96_A    51.798     0    0.026   0.106    56.098    0.000    0.000
LGA    G    97_A      G    97_A    46.754     0    0.015   0.015    48.236    0.000    0.000
LGA    Q    98_A      Q    98_A    43.179     0    0.055   1.048    47.101    0.000    0.000
LGA    P    99_A      P    99_A    36.786     0    0.683   0.637    38.628    0.000    0.000
LGA    R   100_A      R   100_A    39.996     0    0.413   1.368    42.674    0.000    0.000
LGA    P   101_A      P   101_A    42.726     0    0.701   0.595    44.937    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):    12.392         12.419                 12.420           79.231   74.501

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  101   87    4.0     73    0.76    82.759    81.781     8.495

LGA_LOCAL      RMSD:   0.759  Number of atoms:   73  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  14.410  Number of assigned atoms:   87 
Std_ASGN_ATOMS RMSD:  12.392  Standard rmsd on all 87 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.401208 * X  +   0.909438 * Y  +  -0.109336 * Z  + -13.575053
  Y_new =   0.672108 * X  +  -0.211185 * Y  +   0.709698 * Z  +  11.613020
  Z_new =   0.622337 * X  +  -0.358222 * Y  +  -0.695970 * Z  +   3.526312 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.032630 -0.671724 -2.666247   [DEG:   59.1654  -38.4870 -152.7647 ]
ZXZ: -2.988735  2.340566  2.093087   [DEG: -171.2419  134.1046  119.9251 ]
 
# END of job
