
#######################################################
#                                                     #
#                        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    13.97
  LCS_AVERAGE:     82.64

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    75      15_A - 89_A        1.91    14.38
  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    14.47
  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     19   68   70   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     19   68   70   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     54   68   70   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     54   68   70   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     54   68   70   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     54   68   70   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     54   68   70   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     54   68   70   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     54   68   70   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     54   68   70   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     54   68   70   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     54   68   70   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     49   68   70   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     51   68   70   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     49   68   70   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     54   68   70   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     54   68   70   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     54   68   70   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     54   68   70   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     54   68   70   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     54   68   70   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     54   68   70   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     54   68   70   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     54   68   70   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     54   68   70   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     54   68   70   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     54   68   70   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     54   68   70   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     54   68   70   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     54   68   70   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     54   68   70   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     54   68   70   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     54   68   70   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     54   68   70   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     54   68   70   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     54   68   70   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     34   68   70   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     54   68   70   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   21   69   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   36   70   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      7   60   70   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     54   68   70   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     54   68   70   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     36   68   70   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     54   68   70   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     54   68   70   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     54   68   70   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     54   68   70   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     54   68   70   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     54   68   70   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     54   68   70   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     30   68   70   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   65   70   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     48   68   70   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     54   68   70   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     54   68   70   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     54   68   70   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     54   68   70   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     54   68   70   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     54   68   70   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     54   68   70   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     54   68   70   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     53   68   70   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     54   68   70   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     54   68   70   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     54   68   70   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     54   68   70   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     54   68   70   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     54   68   70   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     54   68   70   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     54   68   70   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     54   68   70   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      3   10   19   31   60   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   46   58   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   18   18   20   27   34   42   54   68   75   75   76 
LCS_GDT     K    90_A     K    90_A     14   16   78      9   12   14   14   14   14   16   16   16   18   18   20   27   32   38   46   52   63   75   76 
LCS_GDT     L    91_A     L    91_A     14   16   78      9   12   14   14   14   14   16   16   16   18   18   20   21   22   22   23   26   28   29   31 
LCS_GDT     T    92_A     T    92_A     14   16   78      9   12   14   14   14   14   16   16   16   18   18   20   21   22   22   23   26   28   29   30 
LCS_GDT     L    93_A     L    93_A     14   16   19      9   12   14   14   14   14   16   16   16   18   18   20   21   22   22   23   26   28   29   30 
LCS_GDT     F    94_A     F    94_A     14   16   19      9   12   14   14   14   14   16   16   16   18   18   20   21   22   22   23   26   28   29   30 
LCS_GDT     V    95_A     V    95_A     14   16   19      9   12   14   14   14   14   16   16   16   18   18   20   21   22   22   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   18   18   20   21   22   22   23   25   26   28   30 
LCS_GDT     G    97_A     G    97_A     14   16   19      4   12   14   14   14   14   16   16   16   18   18   20   21   22   22   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   18   18   20   21   22   22   23   26   28   29   30 
LCS_GDT     P    99_A     P    99_A     14   16   19      3   12   14   14   14   14   16   16   16   18   18   20   21   22   22   23   26   28   29   30 
LCS_GDT     R   100_A     R   100_A     14   16   19      3    7   14   14   14   14   16   16   16   18   18   20   21   22   22   23   26   28   29   30 
LCS_GDT     P   101_A     P   101_A      3   16   19      3    3    3    8   12   14   16   16   16   18   18   20   21   22   22   23   26   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     54     68     70     72     72     73     73     73     73     73     74     74     74     74     74     74     74     75     75     76 
GDT PERCENT_AT  62.07  78.16  80.46  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    0.29   0.43   0.49   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   1.91   1.91   2.54
GDT RMS_ALL_AT  14.48  14.48  14.47  14.48  14.48  14.47  14.47  14.47  14.47  14.47  14.44  14.44  14.44  14.44  14.44  14.44  14.44  14.38  14.38  14.29

# 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:  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     0.938     0    0.503   1.315     8.193   82.143   53.439
LGA    L    16_A      L    16_A     1.047     0    0.009   0.096     1.144   88.333   84.881
LGA    I    17_A      I    17_A     0.488     0    0.048   0.618     2.398   97.619   90.833
LGA    I    18_A      I    18_A     0.157     0    0.016   0.101     0.540   97.619   98.810
LGA    K    19_A      K    19_A     0.350     0    0.070   0.337     2.204  100.000   90.899
LGA    A    20_A      A    20_A     0.233     0    0.011   0.029     0.455  100.000  100.000
LGA    Q    21_A      Q    21_A     0.139     0    0.011   0.099     0.548  100.000   98.942
LGA    L    22_A      L    22_A     0.406     0    0.058   0.080     1.083  100.000   94.107
LGA    G    23_A      G    23_A     0.289     0    0.037   0.037     0.399  100.000  100.000
LGA    E    24_A      E    24_A     0.284     0    0.023   1.005     5.406  100.000   77.672
LGA    D    25_A      D    25_A     0.254     0    0.060   0.912     3.648  100.000   80.476
LGA    I    26_A      I    26_A     0.526     0    0.079   0.127     0.983   92.857   92.857
LGA    R    27_A      R    27_A     0.770     0    0.039   0.758     3.050   90.476   81.948
LGA    R    28_A      R    28_A     0.683     0    0.038   0.904     3.880   90.476   76.926
LGA    I    29_A      I    29_A     0.675     0    0.013   0.411     1.155   92.857   90.536
LGA    P    30_A      P    30_A     0.546     0    0.022   0.061     0.778   95.238   93.197
LGA    I    31_A      I    31_A     0.245     0    0.048   0.529     1.360  100.000   94.167
LGA    H    32_A      H    32_A     0.538     0    0.167   0.270     1.343   88.214   87.810
LGA    N    33_A      N    33_A     0.529     0    0.022   0.798     2.969   95.238   82.321
LGA    E    34_A      E    34_A     0.260     0    0.047   0.405     2.313  100.000   91.958
LGA    D    35_A      D    35_A     0.490     0    0.042   1.223     3.910   97.619   80.774
LGA    I    36_A      I    36_A     0.294     0    0.031   0.069     0.845  100.000   96.429
LGA    T    37_A      T    37_A     0.164     0    0.019   0.114     0.307  100.000  100.000
LGA    Y    38_A      Y    38_A     0.170     0    0.019   0.071     0.331  100.000  100.000
LGA    D    39_A      D    39_A     0.216     0    0.036   0.091     0.569  100.000   98.810
LGA    E    40_A      E    40_A     0.255     0    0.016   0.153     0.445  100.000  100.000
LGA    L    41_A      L    41_A     0.088     0    0.032   0.089     0.228  100.000  100.000
LGA    V    42_A      V    42_A     0.181     0    0.030   0.047     0.262  100.000  100.000
LGA    L    43_A      L    43_A     0.296     0    0.032   0.274     0.936  100.000   97.619
LGA    M    44_A      M    44_A     0.212     0    0.048   0.729     2.022  100.000   88.810
LGA    M    45_A      M    45_A     0.090     0    0.037   0.091     0.275  100.000  100.000
LGA    Q    46_A      Q    46_A     0.293     0    0.015   0.208     0.824  100.000   97.884
LGA    R    47_A      R    47_A     0.168     0    0.045   1.284     5.058  100.000   81.169
LGA    V    48_A      V    48_A     0.264     0    0.099   1.251     2.600  100.000   87.483
LGA    F    49_A      F    49_A     0.255     0    0.018   0.100     0.557  100.000   98.268
LGA    R    50_A      R    50_A     0.192     0    0.551   1.334     5.676   85.119   74.848
LGA    G    51_A      G    51_A     1.142     0    0.093   0.093     1.381   85.952   85.952
LGA    K    52_A      K    52_A     0.397     0    0.083   0.806     2.183   95.238   89.788
LGA    L    53_A      L    53_A     1.729     0    0.112   0.120     2.488   72.976   73.988
LGA    L    54_A      L    54_A     1.664     0    0.064   0.154     2.357   75.000   72.917
LGA    S    55_A      S    55_A     1.461     0    0.092   0.132     1.664   81.548   78.651
LGA    N    56_A      N    56_A     0.438     0    0.024   0.748     1.879   97.619   90.714
LGA    D    57_A      D    57_A     0.360     0    0.060   0.083     0.752   95.238   94.048
LGA    E    58_A      E    58_A     0.754     0    0.046   0.511     2.438   95.238   86.720
LGA    V    59_A      V    59_A     0.502     0    0.067   0.077     0.663   95.238   94.558
LGA    T    60_A      T    60_A     0.393     0    0.053   0.149     0.720   95.238   94.558
LGA    I    61_A      I    61_A     0.143     0    0.015   0.100     0.503  100.000   98.810
LGA    K    62_A      K    62_A     0.137     0    0.054   0.148     0.688  100.000   98.942
LGA    Y    63_A      Y    63_A     0.219     0    0.012   0.132     0.686  100.000   97.619
LGA    K    64_A      K    64_A     0.175     0    0.035   0.803     4.530  100.000   79.365
LGA    A    65_A      A    65_A     0.414     0    0.032   0.037     0.521   97.619   98.095
LGA    E    66_A      E    66_A     0.889     0    0.625   0.609     3.239   78.095   75.291
LGA    R    67_A      R    67_A     1.495     0    0.295   1.193    10.434   85.952   44.805
LGA    G    68_A      G    68_A     0.734     0    0.106   0.106     0.986   90.476   90.476
LGA    D    69_A      D    69_A     0.592     0    0.017   1.133     3.492   95.238   82.381
LGA    L    70_A      L    70_A     0.268     0    0.105   0.152     0.768   97.619   97.619
LGA    I    71_A      I    71_A     0.114     0    0.016   0.106     0.223  100.000  100.000
LGA    T    72_A      T    72_A     0.110     0    0.014   0.079     0.335  100.000  100.000
LGA    I    73_A      I    73_A     0.282     0    0.027   0.112     0.526  100.000   98.810
LGA    F    74_A      F    74_A     0.286     0    0.049   1.286     6.036  100.000   70.087
LGA    D    75_A      D    75_A     0.280     0    0.058   0.090     0.311  100.000  100.000
LGA    S    76_A      S    76_A     0.238     0    0.055   0.050     0.358  100.000  100.000
LGA    S    77_A      S    77_A     0.546     0    0.050   0.583     1.302   97.619   93.730
LGA    D    78_A      D    78_A     0.316     0    0.015   0.052     0.652  100.000   97.619
LGA    L    79_A      L    79_A     0.125     0    0.011   0.023     0.230  100.000  100.000
LGA    S    80_A      S    80_A     0.346     0    0.023   0.066     0.481  100.000  100.000
LGA    F    81_A      F    81_A     0.424     0    0.037   0.096     0.985  100.000   93.939
LGA    A    82_A      A    82_A     0.176     0    0.046   0.043     0.254  100.000  100.000
LGA    I    83_A      I    83_A     0.282     0    0.022   0.093     0.656  100.000   97.619
LGA    Q    84_A      Q    84_A     0.336     0    0.036   0.939     5.018  100.000   75.767
LGA    C    85_A      C    85_A     0.337     0    0.120   0.138     1.071   92.976   92.143
LGA    S    86_A      S    86_A     0.499     0    0.590   0.749     4.136   75.476   69.683
LGA    R    87_A      R    87_A     4.302     0    0.486   1.270     8.924   27.619   37.835
LGA    I    88_A      I    88_A     8.517     0    0.192   0.619    10.941    7.143    4.345
LGA    L    89_A      L    89_A    12.920     0    0.073   0.139    18.960    0.000    0.000
LGA    K    90_A      K    90_A    15.024     0    0.041   0.572    17.398    0.000    2.540
LGA    L    91_A      L    91_A    22.256     0    0.039   0.064    25.519    0.000    0.000
LGA    T    92_A      T    92_A    26.492     0    0.044   1.084    29.884    0.000    0.000
LGA    L    93_A      L    93_A    34.002     0    0.071   0.978    35.568    0.000    0.000
LGA    F    94_A      F    94_A    39.251     0    0.013   0.091    42.702    0.000    0.000
LGA    V    95_A      V    95_A    46.454     0    0.015   0.038    50.024    0.000    0.000
LGA    N    96_A      N    96_A    52.041     0    0.022   0.088    56.197    0.000    0.000
LGA    G    97_A      G    97_A    47.208     0    0.015   0.015    48.593    0.000    0.000
LGA    Q    98_A      Q    98_A    43.749     0    0.055   1.049    47.933    0.000    0.000
LGA    P    99_A      P    99_A    37.098     0    0.674   0.613    39.088    0.000    0.000
LGA    R   100_A      R   100_A    40.055     0    0.407   1.181    42.480    0.000    0.000
LGA    P   101_A      P   101_A    42.735     0    0.699   0.589    44.630    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):    12.431         12.455                 12.465           79.643   74.980

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  101   87    4.0     73    0.76    82.471    81.519     8.536

LGA_LOCAL      RMSD:   0.755  Number of atoms:   73  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  14.470  Number of assigned atoms:   87 
Std_ASGN_ATOMS RMSD:  12.431  Standard rmsd on all 87 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.125037 * X  +   0.108698 * Y  +  -0.986180 * Z  + -14.683285
  Y_new =   0.991946 * X  +   0.006572 * Y  +   0.126492 * Z  +  17.714865
  Z_new =   0.020231 * X  +  -0.994053 * Y  +  -0.107001 * Z  +   6.158103 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.445405 -0.020232 -1.678025   [DEG:   82.8156   -1.1592  -96.1437 ]
ZXZ: -1.698365  1.678002  3.121243   [DEG:  -97.3091   96.1425  178.8341 ]
 
# END of job
