
#######################################################
#                                                     #
#                        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   96 (  769),  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    14.12
  LCS_AVERAGE:     82.64

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    75      15_A - 89_A        1.95    14.54
  LCS_AVERAGE:     76.69

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    73      15_A - 87_A        0.86    14.62
  LCS_AVERAGE:     72.68

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     16   49   70   72   72   72   73   73   73   73   73   74   74   74   74   74   74   75   76   76 
LCS_GDT     L    16_A     L    16_A     73   75   78     11   49   70   72   72   72   73   73   73   73   73   74   74   74   74   74   74   75   76   76 
LCS_GDT     I    17_A     I    17_A     73   75   78     44   64   70   72   72   72   73   73   73   73   73   74   74   74   74   74   74   75   76   76 
LCS_GDT     I    18_A     I    18_A     73   75   78     53   64   70   72   72   72   73   73   73   73   73   74   74   74   74   74   74   75   76   76 
LCS_GDT     K    19_A     K    19_A     73   75   78     53   64   70   72   72   72   73   73   73   73   73   74   74   74   74   74   74   75   76   76 
LCS_GDT     A    20_A     A    20_A     73   75   78     53   64   70   72   72   72   73   73   73   73   73   74   74   74   74   74   74   75   76   76 
LCS_GDT     Q    21_A     Q    21_A     73   75   78     53   64   70   72   72   72   73   73   73   73   73   74   74   74   74   74   74   75   76   76 
LCS_GDT     L    22_A     L    22_A     73   75   78     53   64   70   72   72   72   73   73   73   73   73   74   74   74   74   74   74   75   76   76 
LCS_GDT     G    23_A     G    23_A     73   75   78     53   64   70   72   72   72   73   73   73   73   73   74   74   74   74   74   74   75   76   76 
LCS_GDT     E    24_A     E    24_A     73   75   78     53   64   70   72   72   72   73   73   73   73   73   74   74   74   74   74   74   75   76   76 
LCS_GDT     D    25_A     D    25_A     73   75   78     53   64   70   72   72   72   73   73   73   73   73   74   74   74   74   74   74   75   76   76 
LCS_GDT     I    26_A     I    26_A     73   75   78     48   64   70   72   72   72   73   73   73   73   73   74   74   74   74   74   74   75   76   76 
LCS_GDT     R    27_A     R    27_A     73   75   78     18   64   70   72   72   72   73   73   73   73   73   74   74   74   74   74   74   75   76   76 
LCS_GDT     R    28_A     R    28_A     73   75   78     44   64   70   72   72   72   73   73   73   73   73   74   74   74   74   74   74   75   76   76 
LCS_GDT     I    29_A     I    29_A     73   75   78     44   64   70   72   72   72   73   73   73   73   73   74   74   74   74   74   74   75   76   76 
LCS_GDT     P    30_A     P    30_A     73   75   78     53   64   70   72   72   72   73   73   73   73   73   74   74   74   74   74   74   75   76   76 
LCS_GDT     I    31_A     I    31_A     73   75   78     53   64   70   72   72   72   73   73   73   73   73   74   74   74   74   74   74   75   76   76 
LCS_GDT     H    32_A     H    32_A     73   75   78     53   64   70   72   72   72   73   73   73   73   73   74   74   74   74   74   74   75   76   76 
LCS_GDT     N    33_A     N    33_A     73   75   78     48   64   70   72   72   72   73   73   73   73   73   74   74   74   74   74   74   75   76   76 
LCS_GDT     E    34_A     E    34_A     73   75   78     53   64   70   72   72   72   73   73   73   73   73   74   74   74   74   74   74   75   76   76 
LCS_GDT     D    35_A     D    35_A     73   75   78     53   64   70   72   72   72   73   73   73   73   73   74   74   74   74   74   74   75   76   76 
LCS_GDT     I    36_A     I    36_A     73   75   78     53   64   70   72   72   72   73   73   73   73   73   74   74   74   74   74   74   75   76   76 
LCS_GDT     T    37_A     T    37_A     73   75   78     53   64   70   72   72   72   73   73   73   73   73   74   74   74   74   74   74   75   76   76 
LCS_GDT     Y    38_A     Y    38_A     73   75   78     53   64   70   72   72   72   73   73   73   73   73   74   74   74   74   74   74   75   76   76 
LCS_GDT     D    39_A     D    39_A     73   75   78     53   64   70   72   72   72   73   73   73   73   73   74   74   74   74   74   74   75   76   76 
LCS_GDT     E    40_A     E    40_A     73   75   78     53   64   70   72   72   72   73   73   73   73   73   74   74   74   74   74   74   75   76   76 
LCS_GDT     L    41_A     L    41_A     73   75   78     53   64   70   72   72   72   73   73   73   73   73   74   74   74   74   74   74   75   76   76 
LCS_GDT     V    42_A     V    42_A     73   75   78     53   64   70   72   72   72   73   73   73   73   73   74   74   74   74   74   74   75   76   76 
LCS_GDT     L    43_A     L    43_A     73   75   78     53   64   70   72   72   72   73   73   73   73   73   74   74   74   74   74   74   75   76   76 
LCS_GDT     M    44_A     M    44_A     73   75   78     53   64   70   72   72   72   73   73   73   73   73   74   74   74   74   74   74   75   76   76 
LCS_GDT     M    45_A     M    45_A     73   75   78     53   64   70   72   72   72   73   73   73   73   73   74   74   74   74   74   74   75   76   76 
LCS_GDT     Q    46_A     Q    46_A     73   75   78     53   64   70   72   72   72   73   73   73   73   73   74   74   74   74   74   74   75   76   76 
LCS_GDT     R    47_A     R    47_A     73   75   78     53   64   70   72   72   72   73   73   73   73   73   74   74   74   74   74   74   75   76   76 
LCS_GDT     V    48_A     V    48_A     73   75   78     53   64   70   72   72   72   73   73   73   73   73   74   74   74   74   74   74   75   76   76 
LCS_GDT     F    49_A     F    49_A     73   75   78     53   64   70   72   72   72   73   73   73   73   73   74   74   74   74   74   74   75   76   76 
LCS_GDT     R    50_A     R    50_A     73   75   78     53   64   70   72   72   72   73   73   73   73   73   74   74   74   74   74   74   75   76   76 
LCS_GDT     G    51_A     G    51_A     73   75   78     31   63   70   72   72   72   73   73   73   73   73   74   74   74   74   74   74   75   76   76 
LCS_GDT     K    52_A     K    52_A     73   75   78     53   64   70   72   72   72   73   73   73   73   73   74   74   74   74   74   74   75   76   76 
LCS_GDT     L    53_A     L    53_A     73   75   78      6   59   70   72   72   72   73   73   73   73   73   74   74   74   74   74   74   75   76   76 
LCS_GDT     L    54_A     L    54_A     73   75   78      6   18   68   72   72   72   73   73   73   73   73   74   74   74   74   74   74   75   76   76 
LCS_GDT     S    55_A     S    55_A     73   75   78      6   18   32   72   72   72   73   73   73   73   73   74   74   74   74   74   74   75   76   76 
LCS_GDT     N    56_A     N    56_A     73   75   78      6   59   70   72   72   72   73   73   73   73   73   74   74   74   74   74   74   75   76   76 
LCS_GDT     D    57_A     D    57_A     73   75   78     19   64   70   72   72   72   73   73   73   73   73   74   74   74   74   74   74   75   76   76 
LCS_GDT     E    58_A     E    58_A     73   75   78     53   64   70   72   72   72   73   73   73   73   73   74   74   74   74   74   74   75   76   76 
LCS_GDT     V    59_A     V    59_A     73   75   78     53   64   70   72   72   72   73   73   73   73   73   74   74   74   74   74   74   75   76   76 
LCS_GDT     T    60_A     T    60_A     73   75   78     53   64   70   72   72   72   73   73   73   73   73   74   74   74   74   74   74   75   76   76 
LCS_GDT     I    61_A     I    61_A     73   75   78     53   64   70   72   72   72   73   73   73   73   73   74   74   74   74   74   74   75   76   76 
LCS_GDT     K    62_A     K    62_A     73   75   78     53   64   70   72   72   72   73   73   73   73   73   74   74   74   74   74   74   75   76   76 
LCS_GDT     Y    63_A     Y    63_A     73   75   78     53   64   70   72   72   72   73   73   73   73   73   74   74   74   74   74   74   75   76   76 
LCS_GDT     K    64_A     K    64_A     73   75   78     53   64   70   72   72   72   73   73   73   73   73   74   74   74   74   74   74   75   76   76 
LCS_GDT     A    65_A     A    65_A     73   75   78     43   64   70   72   72   72   73   73   73   73   73   74   74   74   74   74   74   75   76   76 
LCS_GDT     E    66_A     E    66_A     73   75   78     24   64   70   72   72   72   73   73   73   73   73   74   74   74   74   74   74   75   76   76 
LCS_GDT     R    67_A     R    67_A     73   75   78      9   62   70   72   72   72   73   73   73   73   73   74   74   74   74   74   74   75   76   76 
LCS_GDT     G    68_A     G    68_A     73   75   78     29   64   70   72   72   72   73   73   73   73   73   74   74   74   74   74   74   75   76   76 
LCS_GDT     D    69_A     D    69_A     73   75   78     53   64   70   72   72   72   73   73   73   73   73   74   74   74   74   74   74   75   76   76 
LCS_GDT     L    70_A     L    70_A     73   75   78     53   64   70   72   72   72   73   73   73   73   73   74   74   74   74   74   74   75   76   76 
LCS_GDT     I    71_A     I    71_A     73   75   78     53   64   70   72   72   72   73   73   73   73   73   74   74   74   74   74   74   75   76   76 
LCS_GDT     T    72_A     T    72_A     73   75   78     53   64   70   72   72   72   73   73   73   73   73   74   74   74   74   74   74   75   76   76 
LCS_GDT     I    73_A     I    73_A     73   75   78     53   64   70   72   72   72   73   73   73   73   73   74   74   74   74   74   74   75   76   76 
LCS_GDT     F    74_A     F    74_A     73   75   78     53   64   70   72   72   72   73   73   73   73   73   74   74   74   74   74   74   75   76   76 
LCS_GDT     D    75_A     D    75_A     73   75   78     53   64   70   72   72   72   73   73   73   73   73   74   74   74   74   74   74   75   76   76 
LCS_GDT     S    76_A     S    76_A     73   75   78     53   64   70   72   72   72   73   73   73   73   73   74   74   74   74   74   74   75   76   76 
LCS_GDT     S    77_A     S    77_A     73   75   78     44   64   70   72   72   72   73   73   73   73   73   74   74   74   74   74   74   75   76   76 
LCS_GDT     D    78_A     D    78_A     73   75   78     53   64   70   72   72   72   73   73   73   73   73   74   74   74   74   74   74   75   76   76 
LCS_GDT     L    79_A     L    79_A     73   75   78     53   64   70   72   72   72   73   73   73   73   73   74   74   74   74   74   74   75   76   76 
LCS_GDT     S    80_A     S    80_A     73   75   78     53   64   70   72   72   72   73   73   73   73   73   74   74   74   74   74   74   75   76   76 
LCS_GDT     F    81_A     F    81_A     73   75   78     53   64   70   72   72   72   73   73   73   73   73   74   74   74   74   74   74   75   76   76 
LCS_GDT     A    82_A     A    82_A     73   75   78     53   64   70   72   72   72   73   73   73   73   73   74   74   74   74   74   74   75   76   76 
LCS_GDT     I    83_A     I    83_A     73   75   78     53   64   70   72   72   72   73   73   73   73   73   74   74   74   74   74   74   75   76   76 
LCS_GDT     Q    84_A     Q    84_A     73   75   78     53   64   70   72   72   72   73   73   73   73   73   74   74   74   74   74   74   75   76   76 
LCS_GDT     C    85_A     C    85_A     73   75   78     53   64   70   72   72   72   73   73   73   73   73   74   74   74   74   74   74   75   76   76 
LCS_GDT     S    86_A     S    86_A     73   75   78     53   64   70   72   72   72   73   73   73   73   73   74   74   74   74   74   74   75   76   76 
LCS_GDT     R    87_A     R    87_A     73   75   78      4    5   15   26   43   70   73   73   73   73   73   74   74   74   74   74   74   75   76   76 
LCS_GDT     I    88_A     I    88_A     13   75   78      5    9   12   13   14   18   26   33   43   57   73   74   74   74   74   74   74   75   76   76 
LCS_GDT     L    89_A     L    89_A     13   75   78      5   10   12   13   14   14   16   16   16   17   20   21   29   35   47   56   69   75   76   76 
LCS_GDT     K    90_A     K    90_A     13   15   78      5   10   12   13   14   14   16   16   16   17   20   21   27   34   41   47   58   68   76   76 
LCS_GDT     L    91_A     L    91_A     13   15   78      5   10   12   13   14   14   16   16   16   17   20   21   22   22   23   24   26   26   29   33 
LCS_GDT     T    92_A     T    92_A     13   15   78      5   10   12   13   14   14   16   16   16   17   20   21   22   22   23   24   26   26   29   30 
LCS_GDT     L    93_A     L    93_A     13   15   19      5   10   12   13   14   14   16   16   16   17   20   21   22   22   23   24   26   26   29   30 
LCS_GDT     F    94_A     F    94_A     13   15   19      5   10   12   13   14   14   16   16   16   17   20   21   22   22   23   24   26   26   29   30 
LCS_GDT     V    95_A     V    95_A     13   15   19      5   10   12   13   14   14   16   16   16   17   20   21   22   22   23   24   25   25   29   30 
LCS_GDT     N    96_A     N    96_A     13   15   19      5   10   12   13   14   14   16   16   16   17   20   21   22   22   23   24   25   25   27   28 
LCS_GDT     G    97_A     G    97_A     13   15   19      4   10   12   13   14   14   16   16   16   17   20   21   22   22   23   24   25   25   29   30 
LCS_GDT     Q    98_A     Q    98_A     13   15   19      3   10   12   13   14   14   16   16   16   17   20   21   22   22   23   24   26   26   29   30 
LCS_GDT     P    99_A     P    99_A     13   15   19      3    6   12   13   14   14   16   16   16   17   20   21   22   22   23   24   26   26   29   30 
LCS_GDT     R   100_A     R   100_A     13   15   19      3    4    7   13   14   14   16   16   16   17   20   21   22   22   23   24   26   26   29   30 
LCS_GDT     P   101_A     P   101_A      3   15   19      3    3    3   10   14   14   16   16   16   17   20   21   22   22   23   24   26   26   29   30 
LCS_AVERAGE  LCS_A:  77.34  (  72.68   76.69   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     53     64     70     72     72     72     73     73     73     73     73     74     74     74     74     74     74     75     76     76 
GDT PERCENT_AT  60.92  73.56  80.46  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  86.21  87.36  87.36
GDT RMS_LOCAL    0.31   0.43   0.59   0.68   0.68   0.68   0.86   0.86   0.86   0.86   0.86   1.29   1.29   1.29   1.29   1.29   1.29   1.95   2.55   2.55
GDT RMS_ALL_AT  14.63  14.65  14.63  14.63  14.63  14.63  14.62  14.62  14.62  14.62  14.62  14.60  14.60  14.60  14.60  14.60  14.60  14.54  14.44  14.44

# Checking swapping
#   possible swapping detected:  E    34_A      E    34_A
#   possible swapping detected:  D    35_A      D    35_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:  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     1.440     0    0.512   1.316     6.232   71.905   54.021
LGA    L    16_A      L    16_A     1.370     0    0.012   0.072     1.674   85.952   81.548
LGA    I    17_A      I    17_A     0.612     0    0.019   0.627     2.737   95.238   87.560
LGA    I    18_A      I    18_A     0.312     0    0.015   0.103     0.562   97.619   97.619
LGA    K    19_A      K    19_A     0.367     0    0.046   0.610     1.755  100.000   91.799
LGA    A    20_A      A    20_A     0.147     0    0.024   0.035     0.351  100.000  100.000
LGA    Q    21_A      Q    21_A     0.123     0    0.022   0.104     0.384  100.000  100.000
LGA    L    22_A      L    22_A     0.392     0    0.053   0.073     0.974  100.000   95.238
LGA    G    23_A      G    23_A     0.232     0    0.042   0.042     0.433  100.000  100.000
LGA    E    24_A      E    24_A     0.500     0    0.026   0.573     1.630   92.857   89.630
LGA    D    25_A      D    25_A     0.311     0    0.023   0.941     3.524  100.000   82.262
LGA    I    26_A      I    26_A     0.687     0    0.055   0.136     1.195   88.214   89.345
LGA    R    27_A      R    27_A     0.957     0    0.059   1.107     3.776   92.857   85.455
LGA    R    28_A      R    28_A     0.671     0    0.041   1.025     3.167   90.476   83.506
LGA    I    29_A      I    29_A     0.632     0    0.015   0.432     0.860   92.857   91.667
LGA    P    30_A      P    30_A     0.460     0    0.042   0.081     0.710   95.238   93.197
LGA    I    31_A      I    31_A     0.499     0    0.022   0.545     1.437  100.000   92.976
LGA    H    32_A      H    32_A     0.491     0    0.222   1.187     3.044   90.595   83.000
LGA    N    33_A      N    33_A     0.658     0    0.033   0.837     2.730   92.857   82.024
LGA    E    34_A      E    34_A     0.403     0    0.108   0.594     1.796  100.000   93.810
LGA    D    35_A      D    35_A     0.394     0    0.113   0.963     3.772   97.619   80.774
LGA    I    36_A      I    36_A     0.141     0    0.034   0.065     0.744  100.000   98.810
LGA    T    37_A      T    37_A     0.170     0    0.034   0.127     0.373  100.000  100.000
LGA    Y    38_A      Y    38_A     0.191     0    0.022   0.082     0.646  100.000   99.206
LGA    D    39_A      D    39_A     0.209     0    0.040   0.352     1.317  100.000   97.679
LGA    E    40_A      E    40_A     0.233     0    0.032   0.275     1.047  100.000   97.937
LGA    L    41_A      L    41_A     0.134     0    0.024   0.080     0.241  100.000  100.000
LGA    V    42_A      V    42_A     0.244     0    0.025   0.056     0.357  100.000  100.000
LGA    L    43_A      L    43_A     0.300     0    0.031   0.076     0.720  100.000   96.429
LGA    M    44_A      M    44_A     0.206     0    0.059   0.346     1.899  100.000   95.417
LGA    M    45_A      M    45_A     0.218     0    0.050   0.334     0.833  100.000   97.619
LGA    Q    46_A      Q    46_A     0.524     0    0.027   0.295     1.206   92.857   90.529
LGA    R    47_A      R    47_A     0.520     0    0.050   1.096     6.450   95.238   66.580
LGA    V    48_A      V    48_A     0.325     0    0.070   1.274     2.413  100.000   88.571
LGA    F    49_A      F    49_A     0.195     0    0.034   0.068     0.509  100.000   99.134
LGA    R    50_A      R    50_A     0.301     0    0.533   1.356     6.483   86.905   68.615
LGA    G    51_A      G    51_A     1.176     0    0.075   0.075     1.555   86.190   86.190
LGA    K    52_A      K    52_A     0.176     0    0.146   0.786     2.064  100.000   89.841
LGA    L    53_A      L    53_A     1.355     0    0.029   0.078     1.970   77.143   78.274
LGA    L    54_A      L    54_A     2.016     0    0.060   0.126     2.302   66.786   66.786
LGA    S    55_A      S    55_A     2.314     0    0.081   0.629     4.976   68.810   60.635
LGA    N    56_A      N    56_A     1.603     0    0.043   1.200     5.902   77.143   62.024
LGA    D    57_A      D    57_A     0.892     0    0.060   0.225     1.591   88.214   86.012
LGA    E    58_A      E    58_A     0.313     0    0.042   0.653     2.008  100.000   91.905
LGA    V    59_A      V    59_A     0.193     0    0.091   0.133     0.664   97.619   98.639
LGA    T    60_A      T    60_A     0.215     0    0.044   0.348     1.284  100.000   97.347
LGA    I    61_A      I    61_A     0.072     0    0.016   0.102     0.344  100.000  100.000
LGA    K    62_A      K    62_A     0.199     0    0.037   0.328     1.285  100.000   97.937
LGA    Y    63_A      Y    63_A     0.170     0    0.026   0.136     0.546  100.000   99.206
LGA    K    64_A      K    64_A     0.318     0    0.031   0.995     5.872   95.238   72.646
LGA    A    65_A      A    65_A     0.946     0    0.107   0.134     1.144   88.214   86.857
LGA    E    66_A      E    66_A     1.030     0    0.610   0.723     3.401   75.833   79.947
LGA    R    67_A      R    67_A     1.376     0    0.416   1.521    11.586   83.690   43.074
LGA    G    68_A      G    68_A     0.907     0    0.058   0.058     1.265   90.595   90.595
LGA    D    69_A      D    69_A     0.466     0    0.065   1.146     3.990   97.619   80.774
LGA    L    70_A      L    70_A     0.420     0    0.247   0.297     1.392   92.976   94.107
LGA    I    71_A      I    71_A     0.249     0    0.022   0.662     2.062  100.000   95.595
LGA    T    72_A      T    72_A     0.284     0    0.025   0.126     0.695  100.000   98.639
LGA    I    73_A      I    73_A     0.253     0    0.020   0.097     0.428  100.000  100.000
LGA    F    74_A      F    74_A     0.391     0    0.022   0.051     0.680  100.000   97.403
LGA    D    75_A      D    75_A     0.481     0    0.055   0.532     1.869  100.000   94.226
LGA    S    76_A      S    76_A     0.406     0    0.050   0.072     0.456  100.000  100.000
LGA    S    77_A      S    77_A     0.659     0    0.034   0.531     1.056   95.238   90.635
LGA    D    78_A      D    78_A     0.413     0    0.026   0.073     0.879  100.000   96.429
LGA    L    79_A      L    79_A     0.205     0    0.017   0.040     0.351  100.000  100.000
LGA    S    80_A      S    80_A     0.443     0    0.022   0.640     2.272   97.619   90.952
LGA    F    81_A      F    81_A     0.340     0    0.039   0.060     0.961  100.000   94.805
LGA    A    82_A      A    82_A     0.199     0    0.035   0.031     0.373  100.000  100.000
LGA    I    83_A      I    83_A     0.408     0    0.030   0.105     0.804   97.619   94.048
LGA    Q    84_A      Q    84_A     0.395     0    0.019   0.950     4.767  100.000   76.349
LGA    C    85_A      C    85_A     0.305     0    0.190   0.204     1.392   92.976   95.317
LGA    S    86_A      S    86_A     0.453     0    0.594   0.733     4.352   75.476   70.794
LGA    R    87_A      R    87_A     4.476     0    0.467   1.234     8.943   27.619   33.290
LGA    I    88_A      I    88_A     8.413     0    0.127   0.581    10.815    8.690    5.119
LGA    L    89_A      L    89_A    12.882     0    0.052   1.369    17.185    0.000    0.000
LGA    K    90_A      K    90_A    14.934     0    0.032   0.779    17.286    0.000    4.815
LGA    L    91_A      L    91_A    22.129     0    0.046   0.077    25.293    0.000    0.000
LGA    T    92_A      T    92_A    26.470     0    0.036   1.086    29.884    0.000    0.000
LGA    L    93_A      L    93_A    33.966     0    0.081   0.102    35.769    0.000    0.000
LGA    F    94_A      F    94_A    39.340     0    0.083   0.099    42.658    0.000    0.000
LGA    V    95_A      V    95_A    46.673     0    0.022   0.047    50.395    0.000    0.000
LGA    N    96_A      N    96_A    52.264     0    0.023   0.244    56.988    0.000    0.000
LGA    G    97_A      G    97_A    47.530     0    0.115   0.115    48.875    0.000    0.000
LGA    Q    98_A      Q    98_A    44.644     0    0.062   1.065    49.030    0.000    0.000
LGA    P    99_A      P    99_A    37.866     0    0.610   0.583    39.882    0.000    0.000
LGA    R   100_A      R   100_A    41.070     0    0.336   1.124    41.951    0.000    0.000
LGA    P   101_A      P   101_A    43.798     0    0.677   0.628    45.560    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):    12.516         12.542                 12.536           78.628   74.174

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   96   87    4.0     73    0.86    81.322    81.006     7.608

LGA_LOCAL      RMSD:   0.859  Number of atoms:   73  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  14.624  Number of assigned atoms:   87 
Std_ASGN_ATOMS RMSD:  12.516  Standard rmsd on all 87 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.529523 * X  +  -0.808628 * Y  +  -0.256371 * Z  + -16.238922
  Y_new =   0.221590 * X  +   0.423579 * Y  +  -0.878339 * Z  +   9.586843
  Z_new =   0.818843 * X  +   0.408291 * Y  +   0.403479 * Z  +   3.776849 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.396328 -0.959392  0.791327   [DEG:   22.7079  -54.9691   45.3397 ]
ZXZ: -0.283992  1.155481  1.108253   [DEG:  -16.2715   66.2042   63.4982 ]
 
# END of job
