
#######################################################
#                                                     #
#                        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   89 (  636),  selected   89 , name one
# Molecule2: number of CA atoms   89 (  636),  selected   89 , 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:    89       1_A - 89_A        1.03     1.03
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    89       1_A - 89_A        1.03     1.03
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    88       1_A - 88_A        0.82     1.04
  LONGEST_CONTINUOUS_SEGMENT:    88       2_A - 89_A        0.92     1.04
  LCS_AVERAGE:     98.88

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   89
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     G     1_A     G     1_A     88   89   89      3    4    5   19   64   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     S     2_A     S     2_A     88   89   89      3    4    5    6    6   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A     3_A     A     3_A     88   89   89     51   85   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     D     4_A     D     4_A     88   89   89     75   85   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     L     5_A     L     5_A     88   89   89     75   85   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A     6_A     A     6_A     88   89   89     51   85   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     H     7_A     H     7_A     88   89   89     75   85   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G     8_A     G     8_A     88   89   89     75   85   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G     9_A     G     9_A     88   89   89     75   85   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Q    10_A     Q    10_A     88   89   89     75   85   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     V    11_A     V    11_A     88   89   89     75   85   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     F    12_A     F    12_A     88   89   89     75   85   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     S    13_A     S    13_A     88   89   89     75   85   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    14_A     A    14_A     88   89   89     75   85   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     N    15_A     N    15_A     88   89   89     75   85   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     C    16_A     C    16_A     88   89   89     75   85   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    17_A     A    17_A     88   89   89     75   85   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    18_A     A    18_A     88   89   89     75   85   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     C    19_A     C    19_A     88   89   89     75   85   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     H    20_A     H    20_A     88   89   89     75   85   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     L    21_A     L    21_A     88   89   89     75   85   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    22_A     G    22_A     88   89   89     75   85   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    23_A     G    23_A     88   89   89     75   85   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     R    24_A     R    24_A     88   89   89     75   85   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     N    25_A     N    25_A     88   89   89     75   85   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     V    26_A     V    26_A     88   89   89     75   85   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     V    27_A     V    27_A     88   89   89     72   85   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     N    28_A     N    28_A     88   89   89     75   85   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     P    29_A     P    29_A     88   89   89     75   85   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    30_A     A    30_A     88   89   89     75   85   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     K    31_A     K    31_A     88   89   89     75   85   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     T    32_A     T    32_A     88   89   89     75   85   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     L    33_A     L    33_A     88   89   89     75   85   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Q    34_A     Q    34_A     88   89   89     75   85   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     K    35_A     K    35_A     88   89   89     75   85   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    36_A     A    36_A     88   89   89     75   85   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     D    37_A     D    37_A     88   89   89     75   85   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     L    38_A     L    38_A     88   89   89     75   85   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     D    39_A     D    39_A     88   89   89     75   85   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Q    40_A     Q    40_A     88   89   89     75   85   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Y    41_A     Y    41_A     88   89   89     75   85   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    42_A     G    42_A     88   89   89     75   85   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     M    43_A     M    43_A     88   89   89     75   85   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    44_A     A    44_A     88   89   89     75   85   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     S    45_A     S    45_A     88   89   89     75   85   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     I    46_A     I    46_A     88   89   89     75   85   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     E    47_A     E    47_A     88   89   89     75   85   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    48_A     A    48_A     88   89   89     75   85   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     I    49_A     I    49_A     88   89   89     75   85   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     T    50_A     T    50_A     88   89   89     75   85   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     T    51_A     T    51_A     88   89   89     75   85   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Q    52_A     Q    52_A     88   89   89     75   85   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     V    53_A     V    53_A     88   89   89     75   85   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     T    54_A     T    54_A     88   89   89     75   85   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     N    55_A     N    55_A     88   89   89     75   85   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    56_A     G    56_A     88   89   89     75   85   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     K    57_A     K    57_A     88   89   89     75   85   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    58_A     G    58_A     88   89   89     70   85   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    59_A     A    59_A     88   89   89     75   85   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     M    60_A     M    60_A     88   89   89     75   85   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     P    61_A     P    61_A     88   89   89     63   85   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    62_A     A    62_A     88   89   89     63   85   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     F    63_A     F    63_A     88   89   89     75   85   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    64_A     G    64_A     88   89   89     75   85   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     S    65_A     S    65_A     88   89   89     73   85   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     K    66_A     K    66_A     88   89   89     75   85   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     L    67_A     L    67_A     88   89   89     75   85   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     S    68_A     S    68_A     88   89   89     75   85   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    69_A     A    69_A     88   89   89     75   85   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     D    70_A     D    70_A     88   89   89     75   85   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     D    71_A     D    71_A     88   89   89     75   85   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     I    72_A     I    72_A     88   89   89     75   85   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    73_A     A    73_A     88   89   89     75   85   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     D    74_A     D    74_A     88   89   89     75   85   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     V    75_A     V    75_A     88   89   89     75   85   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    76_A     A    76_A     88   89   89     75   85   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     S    77_A     S    77_A     88   89   89     75   85   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Y    78_A     Y    78_A     88   89   89     75   85   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     V    79_A     V    79_A     88   89   89     75   85   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     L    80_A     L    80_A     88   89   89     75   85   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     D    81_A     D    81_A     88   89   89     75   85   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Q    82_A     Q    82_A     88   89   89     75   85   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     S    83_A     S    83_A     88   89   89     75   85   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     E    84_A     E    84_A     88   89   89     53   85   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     K    85_A     K    85_A     88   89   89     46   85   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    86_A     G    86_A     88   89   89     50   85   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     W    87_A     W    87_A     88   89   89     75   85   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Q    88_A     Q    88_A     88   89   89      3    7   75   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    89_A     G    89_A     88   89   89      3    4    8   12   20   27   78   85   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_AVERAGE  LCS_A:  99.63  (  98.88  100.00  100.00 )

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     75     85     85     85     86     87     87     88     88     89     89     89     89     89     89     89     89     89     89     89 
GDT PERCENT_AT  84.27  95.51  95.51  95.51  96.63  97.75  97.75  98.88  98.88 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.28   0.37   0.37   0.37   0.49   0.67   0.69   0.82   0.82   1.03   1.03   1.03   1.03   1.03   1.03   1.03   1.03   1.03   1.03   1.03
GDT RMS_ALL_AT   1.05   1.05   1.05   1.05   1.05   1.04   1.04   1.04   1.04   1.03   1.03   1.03   1.03   1.03   1.03   1.03   1.03   1.03   1.03   1.03

# Checking swapping
#   possible swapping detected:  F    63_A      F    63_A
#   possible swapping detected:  Y    78_A      Y    78_A
#   possible swapping detected:  E    84_A      E    84_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     1_A      G     1_A     4.482     0    0.137   0.137     4.482   53.214   53.214
LGA    S     2_A      S     2_A     4.121     0    0.024   0.687     6.729   42.143   32.540
LGA    A     3_A      A     3_A     0.848     0    0.395   0.412     1.955   88.214   85.143
LGA    D     4_A      D     4_A     0.326     0    0.038   0.085     0.578   97.619   97.619
LGA    L     5_A      L     5_A     0.314     0    0.080   0.073     0.582  100.000   97.619
LGA    A     6_A      A     6_A     0.683     0    0.043   0.052     0.970   92.857   92.381
LGA    H     7_A      H     7_A     0.504     0    0.054   0.102     0.597   95.238   92.381
LGA    G     8_A      G     8_A     0.233     0    0.022   0.022     0.374  100.000  100.000
LGA    G     9_A      G     9_A     0.237     0    0.033   0.033     0.237  100.000  100.000
LGA    Q    10_A      Q    10_A     0.250     0    0.038   0.175     0.832  100.000   98.942
LGA    V    11_A      V    11_A     0.248     0    0.035   0.039     0.352  100.000  100.000
LGA    F    12_A      F    12_A     0.121     0    0.017   0.052     0.260  100.000  100.000
LGA    S    13_A      S    13_A     0.241     0    0.023   0.652     1.799   97.619   93.889
LGA    A    14_A      A    14_A     0.370     0    0.043   0.066     0.595   97.619   98.095
LGA    N    15_A      N    15_A     0.431     0    0.032   0.065     0.730   97.619   94.048
LGA    C    16_A      C    16_A     0.150     0    0.042   0.094     0.545  100.000   98.413
LGA    A    17_A      A    17_A     0.225     0    0.070   0.079     0.475  100.000  100.000
LGA    A    18_A      A    18_A     0.471     0    0.028   0.036     0.611  100.000   98.095
LGA    C    19_A      C    19_A     0.126     0    0.023   0.056     0.230  100.000  100.000
LGA    H    20_A      H    20_A     0.086     0    0.044   0.117     0.581  100.000   98.095
LGA    L    21_A      L    21_A     0.283     0    0.037   0.131     0.564  100.000   98.810
LGA    G    22_A      G    22_A     0.383     0    0.099   0.099     0.557   97.619   97.619
LGA    G    23_A      G    23_A     0.230     0    0.008   0.008     0.299  100.000  100.000
LGA    R    24_A      R    24_A     0.252     0    0.033   1.355     4.503  100.000   82.771
LGA    N    25_A      N    25_A     0.214     0    0.037   0.061     0.289  100.000  100.000
LGA    V    26_A      V    26_A     0.417     0    0.024   0.027     0.561   97.619   97.279
LGA    V    27_A      V    27_A     0.508     0    0.029   0.057     0.670   95.238   93.197
LGA    N    28_A      N    28_A     0.288     0    0.027   0.056     0.443  100.000  100.000
LGA    P    29_A      P    29_A     0.442     0    0.042   0.041     0.640  100.000   97.279
LGA    A    30_A      A    30_A     0.510     0    0.058   0.054     0.730   97.619   96.190
LGA    K    31_A      K    31_A     0.391     0    0.046   0.210     1.288  100.000   94.762
LGA    T    32_A      T    32_A     0.250     0    0.020   0.077     0.291  100.000  100.000
LGA    L    33_A      L    33_A     0.014     0    0.021   0.093     0.333  100.000  100.000
LGA    Q    34_A      Q    34_A     0.083     0    0.031   0.949     4.206  100.000   83.492
LGA    K    35_A      K    35_A     0.226     0    0.020   0.432     2.539  100.000   91.111
LGA    A    36_A      A    36_A     0.245     0    0.043   0.053     0.418  100.000  100.000
LGA    D    37_A      D    37_A     0.298     0    0.015   0.126     0.701  100.000   98.810
LGA    L    38_A      L    38_A     0.241     0    0.032   0.127     0.383  100.000  100.000
LGA    D    39_A      D    39_A     0.292     0    0.030   0.132     0.475  100.000  100.000
LGA    Q    40_A      Q    40_A     0.436     0    0.046   0.100     1.103   95.238   91.640
LGA    Y    41_A      Y    41_A     0.551     0    0.031   0.105     0.713   92.857   91.270
LGA    G    42_A      G    42_A     0.548     0    0.016   0.016     0.548   92.857   92.857
LGA    M    43_A      M    43_A     0.296     0    0.054   0.107     0.486  100.000  100.000
LGA    A    44_A      A    44_A     0.527     0    0.021   0.032     0.643   95.238   94.286
LGA    S    45_A      S    45_A     0.330     0    0.041   0.070     0.371  100.000  100.000
LGA    I    46_A      I    46_A     0.294     0    0.021   0.653     1.861  100.000   95.417
LGA    E    47_A      E    47_A     0.457     0    0.049   1.414     6.599  100.000   69.947
LGA    A    48_A      A    48_A     0.285     0    0.024   0.036     0.340  100.000  100.000
LGA    I    49_A      I    49_A     0.280     0    0.029   0.041     0.351  100.000  100.000
LGA    T    50_A      T    50_A     0.285     0    0.041   1.116     2.398  100.000   89.728
LGA    T    51_A      T    51_A     0.307     0    0.010   0.047     0.594  100.000   98.639
LGA    Q    52_A      Q    52_A     0.113     0    0.019   0.122     0.773  100.000   96.825
LGA    V    53_A      V    53_A     0.081     0    0.041   0.056     0.138  100.000  100.000
LGA    T    54_A      T    54_A     0.163     0    0.042   0.086     0.294  100.000  100.000
LGA    N    55_A      N    55_A     0.176     0    0.025   0.188     0.800  100.000   98.810
LGA    G    56_A      G    56_A     0.144     0    0.040   0.040     0.208  100.000  100.000
LGA    K    57_A      K    57_A     0.164     0    0.069   0.179     0.646  100.000   98.942
LGA    G    58_A      G    58_A     0.553     0    0.072   0.072     0.553   95.238   95.238
LGA    A    59_A      A    59_A     0.338     0    0.037   0.052     0.426  100.000  100.000
LGA    M    60_A      M    60_A     0.452     0    0.026   0.174     0.487  100.000  100.000
LGA    P    61_A      P    61_A     0.718     0    0.022   0.153     0.976   90.476   90.476
LGA    A    62_A      A    62_A     0.620     0    0.066   0.076     0.859   90.476   90.476
LGA    F    63_A      F    63_A     0.192     0    0.069   0.109     0.624  100.000   96.537
LGA    G    64_A      G    64_A     0.326     0    0.047   0.047     0.672   97.619   97.619
LGA    S    65_A      S    65_A     0.779     0    0.067   0.641     3.097   90.595   83.810
LGA    K    66_A      K    66_A     0.375     0    0.054   0.748     2.548  100.000   91.323
LGA    L    67_A      L    67_A     0.383     0    0.007   0.053     0.513   97.619   98.810
LGA    S    68_A      S    68_A     0.394     0    0.017   0.102     0.484  100.000  100.000
LGA    A    69_A      A    69_A     0.278     0    0.021   0.021     0.389  100.000  100.000
LGA    D    70_A      D    70_A     0.316     0    0.078   0.251     1.370  100.000   96.488
LGA    D    71_A      D    71_A     0.250     0    0.021   0.208     0.878  100.000   96.429
LGA    I    72_A      I    72_A     0.258     0    0.012   0.066     0.404  100.000  100.000
LGA    A    73_A      A    73_A     0.213     0    0.012   0.017     0.258  100.000  100.000
LGA    D    74_A      D    74_A     0.168     0    0.037   0.048     0.279  100.000  100.000
LGA    V    75_A      V    75_A     0.210     0    0.017   0.032     0.371  100.000  100.000
LGA    A    76_A      A    76_A     0.395     0    0.022   0.029     0.511   97.619   98.095
LGA    S    77_A      S    77_A     0.448     0    0.016   0.053     0.714  100.000   96.825
LGA    Y    78_A      Y    78_A     0.273     0    0.020   0.047     0.350  100.000  100.000
LGA    V    79_A      V    79_A     0.257     0    0.022   0.046     0.385  100.000  100.000
LGA    L    80_A      L    80_A     0.211     0    0.055   0.123     0.675  100.000   98.810
LGA    D    81_A      D    81_A     0.145     0    0.020   0.165     0.945  100.000   96.429
LGA    Q    82_A      Q    82_A     0.307     0    0.024   0.175     0.578  100.000   98.942
LGA    S    83_A      S    83_A     0.076     0    0.029   0.528     2.030  100.000   94.127
LGA    E    84_A      E    84_A     0.662     0    0.011   0.887     4.690   92.857   76.772
LGA    K    85_A      K    85_A     1.088     0    0.147   0.186     1.783   81.548   85.503
LGA    G    86_A      G    86_A     0.897     0    0.467   0.467     3.107   78.095   78.095
LGA    W    87_A      W    87_A     0.391     0    0.548   0.404     1.855   88.452   96.701
LGA    Q    88_A      Q    88_A     3.035     0    0.170   0.708     6.986   41.905   33.333
LGA    G    89_A      G    89_A     6.125     0    0.661   0.661     7.321   17.143   17.143

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       89     356    356  100.00     636    636  100.00                89
SUMMARY(RMSD_GDC):     1.034          1.071                  1.230           95.349   93.125

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   89   89    4.0     88    0.82    97.472    98.393     9.563

LGA_LOCAL      RMSD:   0.820  Number of atoms:   88  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.042  Number of assigned atoms:   89 
Std_ASGN_ATOMS RMSD:   1.034  Standard rmsd on all 89 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.046953 * X  +  -0.986143 * Y  +   0.159117 * Z  +  -3.883609
  Y_new =   0.983829 * X  +  -0.018090 * Y  +   0.178196 * Z  + -14.478533
  Z_new =  -0.172849 * X  +   0.164911 * Y  +   0.971045 * Z  +   1.473161 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.618485  0.173721  0.168224   [DEG:   92.7324    9.9535    9.6385 ]
ZXZ:  2.412696  0.241231 -0.808894   [DEG:  138.2373   13.8215  -46.3462 ]
 
# END of job
