
#######################################################
#                                                     #
#                        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        1.08     1.08
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    89       1_A - 89_A        1.08     1.08
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    88       1_A - 88_A        0.60     1.10
  LCS_AVERAGE:     97.80

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     11   84   86   87   88   88   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     S     2_A     S     2_A     88   89   89      3    4   64   86   88   88   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A     3_A     A     3_A     88   89   89     10   84   86   87   88   88   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     D     4_A     D     4_A     88   89   89     72   84   86   87   88   88   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     L     5_A     L     5_A     88   89   89     69   84   86   87   88   88   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A     6_A     A     6_A     88   89   89     23   84   86   87   88   88   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     H     7_A     H     7_A     88   89   89     52   84   86   87   88   88   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G     8_A     G     8_A     88   89   89     72   84   86   87   88   88   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G     9_A     G     9_A     88   89   89     72   84   86   87   88   88   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Q    10_A     Q    10_A     88   89   89     72   84   86   87   88   88   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     V    11_A     V    11_A     88   89   89     72   84   86   87   88   88   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     F    12_A     F    12_A     88   89   89     72   84   86   87   88   88   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     S    13_A     S    13_A     88   89   89     72   84   86   87   88   88   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    14_A     A    14_A     88   89   89     72   84   86   87   88   88   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     N    15_A     N    15_A     88   89   89     72   84   86   87   88   88   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     C    16_A     C    16_A     88   89   89     72   84   86   87   88   88   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    17_A     A    17_A     88   89   89     72   84   86   87   88   88   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    18_A     A    18_A     88   89   89     72   84   86   87   88   88   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     C    19_A     C    19_A     88   89   89     72   84   86   87   88   88   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     H    20_A     H    20_A     88   89   89     72   84   86   87   88   88   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     L    21_A     L    21_A     88   89   89     72   84   86   87   88   88   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    22_A     G    22_A     88   89   89     72   84   86   87   88   88   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    23_A     G    23_A     88   89   89     72   84   86   87   88   88   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     R    24_A     R    24_A     88   89   89     72   84   86   87   88   88   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     N    25_A     N    25_A     88   89   89     72   84   86   87   88   88   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     V    26_A     V    26_A     88   89   89     72   84   86   87   88   88   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     V    27_A     V    27_A     88   89   89     72   84   86   87   88   88   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     N    28_A     N    28_A     88   89   89     65   84   86   87   88   88   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     P    29_A     P    29_A     88   89   89     58   84   86   87   88   88   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    30_A     A    30_A     88   89   89     69   84   86   87   88   88   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     K    31_A     K    31_A     88   89   89     72   84   86   87   88   88   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     T    32_A     T    32_A     88   89   89     72   84   86   87   88   88   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     L    33_A     L    33_A     88   89   89     72   84   86   87   88   88   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Q    34_A     Q    34_A     88   89   89     72   84   86   87   88   88   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     K    35_A     K    35_A     88   89   89     72   84   86   87   88   88   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    36_A     A    36_A     88   89   89     72   84   86   87   88   88   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     D    37_A     D    37_A     88   89   89     72   84   86   87   88   88   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     L    38_A     L    38_A     88   89   89     72   84   86   87   88   88   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     D    39_A     D    39_A     88   89   89     72   84   86   87   88   88   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Q    40_A     Q    40_A     88   89   89     72   84   86   87   88   88   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Y    41_A     Y    41_A     88   89   89     72   84   86   87   88   88   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    42_A     G    42_A     88   89   89     72   84   86   87   88   88   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     M    43_A     M    43_A     88   89   89     72   84   86   87   88   88   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    44_A     A    44_A     88   89   89     72   84   86   87   88   88   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     S    45_A     S    45_A     88   89   89     72   84   86   87   88   88   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     I    46_A     I    46_A     88   89   89     72   84   86   87   88   88   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     E    47_A     E    47_A     88   89   89     65   84   86   87   88   88   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    48_A     A    48_A     88   89   89     72   84   86   87   88   88   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     I    49_A     I    49_A     88   89   89     72   84   86   87   88   88   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     T    50_A     T    50_A     88   89   89     72   84   86   87   88   88   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     T    51_A     T    51_A     88   89   89     72   84   86   87   88   88   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Q    52_A     Q    52_A     88   89   89     72   84   86   87   88   88   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     V    53_A     V    53_A     88   89   89     72   84   86   87   88   88   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     T    54_A     T    54_A     88   89   89     72   84   86   87   88   88   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     N    55_A     N    55_A     88   89   89     72   84   86   87   88   88   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    56_A     G    56_A     88   89   89     72   84   86   87   88   88   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     K    57_A     K    57_A     88   89   89     72   84   86   87   88   88   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    58_A     G    58_A     88   89   89     72   84   86   87   88   88   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    59_A     A    59_A     88   89   89     72   84   86   87   88   88   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     M    60_A     M    60_A     88   89   89     72   84   86   87   88   88   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     P    61_A     P    61_A     88   89   89     72   84   86   87   88   88   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    62_A     A    62_A     88   89   89     72   84   86   87   88   88   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     F    63_A     F    63_A     88   89   89     72   84   86   87   88   88   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    64_A     G    64_A     88   89   89     72   84   86   87   88   88   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     S    65_A     S    65_A     88   89   89     58   84   86   87   88   88   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     K    66_A     K    66_A     88   89   89     72   84   86   87   88   88   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     L    67_A     L    67_A     88   89   89     72   84   86   87   88   88   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     S    68_A     S    68_A     88   89   89     68   84   86   87   88   88   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    69_A     A    69_A     88   89   89     72   84   86   87   88   88   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     D    70_A     D    70_A     88   89   89     72   84   86   87   88   88   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     D    71_A     D    71_A     88   89   89     72   84   86   87   88   88   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     I    72_A     I    72_A     88   89   89     72   84   86   87   88   88   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    73_A     A    73_A     88   89   89     72   84   86   87   88   88   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     D    74_A     D    74_A     88   89   89     72   84   86   87   88   88   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     V    75_A     V    75_A     88   89   89     72   84   86   87   88   88   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    76_A     A    76_A     88   89   89     72   84   86   87   88   88   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     S    77_A     S    77_A     88   89   89     72   84   86   87   88   88   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Y    78_A     Y    78_A     88   89   89     72   84   86   87   88   88   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     V    79_A     V    79_A     88   89   89     72   84   86   87   88   88   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     L    80_A     L    80_A     88   89   89     72   84   86   87   88   88   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     D    81_A     D    81_A     88   89   89     72   84   86   87   88   88   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Q    82_A     Q    82_A     88   89   89     72   84   86   87   88   88   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     S    83_A     S    83_A     88   89   89     72   84   86   87   88   88   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     E    84_A     E    84_A     88   89   89     69   84   86   87   88   88   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     K    85_A     K    85_A     88   89   89     65   84   86   87   88   88   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    86_A     G    86_A     88   89   89     65   84   86   87   88   88   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     W    87_A     W    87_A     88   89   89     72   84   86   87   88   88   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Q    88_A     Q    88_A     88   89   89      3    5   65   87   88   88   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    89_A     G    89_A      3   89   89      3    3    3    5    5    7   18   21   49   86   89   89   89   89   89   89   89   89   89   89 
LCS_AVERAGE  LCS_A:  99.27  (  97.80  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     72     84     86     87     88     88     88     88     88     88     89     89     89     89     89     89     89     89     89     89 
GDT PERCENT_AT  80.90  94.38  96.63  97.75  98.88  98.88  98.88  98.88  98.88  98.88 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.31   0.38   0.42   0.53   0.60   0.60   0.60   0.60   0.60   0.60   1.08   1.08   1.08   1.08   1.08   1.08   1.08   1.08   1.08   1.08
GDT RMS_ALL_AT   1.11   1.11   1.11   1.10   1.10   1.10   1.10   1.10   1.10   1.10   1.08   1.08   1.08   1.08   1.08   1.08   1.08   1.08   1.08   1.08

# Checking swapping

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     1_A      G     1_A     1.247     0    0.101   0.101     2.011   75.119   75.119
LGA    S     2_A      S     2_A     2.703     0    0.066   0.595     5.760   68.929   55.714
LGA    A     3_A      A     3_A     0.987     0    0.274   0.266     1.745   81.667   79.905
LGA    D     4_A      D     4_A     0.424     0    0.072   0.162     0.951  100.000   95.238
LGA    L     5_A      L     5_A     0.611     0    0.103   1.150     2.706   90.476   81.964
LGA    A     6_A      A     6_A     1.186     0    0.065   0.072     1.539   88.214   85.143
LGA    H     7_A      H     7_A     0.753     0    0.031   1.090     2.316   95.238   84.571
LGA    G     8_A      G     8_A     0.237     0    0.006   0.006     0.367  100.000  100.000
LGA    G     9_A      G     9_A     0.417     0    0.022   0.022     0.417  100.000  100.000
LGA    Q    10_A      Q    10_A     0.323     0    0.022   0.402     1.557  100.000   92.804
LGA    V    11_A      V    11_A     0.337     0    0.023   0.072     0.490  100.000  100.000
LGA    F    12_A      F    12_A     0.249     0    0.009   0.065     0.320  100.000  100.000
LGA    S    13_A      S    13_A     0.289     0    0.032   0.513     1.862   97.619   93.889
LGA    A    14_A      A    14_A     0.409     0    0.017   0.025     0.462  100.000  100.000
LGA    N    15_A      N    15_A     0.467     0    0.026   0.059     0.615  100.000   96.429
LGA    C    16_A      C    16_A     0.273     0    0.028   0.037     0.292  100.000  100.000
LGA    A    17_A      A    17_A     0.197     0    0.030   0.043     0.256  100.000  100.000
LGA    A    18_A      A    18_A     0.227     0    0.017   0.018     0.240  100.000  100.000
LGA    C    19_A      C    19_A     0.190     0    0.042   0.050     0.386  100.000  100.000
LGA    H    20_A      H    20_A     0.209     0    0.037   0.058     0.330  100.000  100.000
LGA    L    21_A      L    21_A     0.179     0    0.032   0.150     1.054  100.000   95.298
LGA    G    22_A      G    22_A     0.311     0    0.035   0.035     0.332  100.000  100.000
LGA    G    23_A      G    23_A     0.267     0    0.028   0.028     0.320  100.000  100.000
LGA    R    24_A      R    24_A     0.272     0    0.021   1.127     2.865  100.000   88.658
LGA    N    25_A      N    25_A     0.267     0    0.021   0.099     0.412  100.000  100.000
LGA    V    26_A      V    26_A     0.349     0    0.026   1.270     2.991  100.000   88.844
LGA    V    27_A      V    27_A     0.324     0    0.032   0.123     0.770  100.000   98.639
LGA    N    28_A      N    28_A     0.564     0    0.026   0.853     3.872   92.857   77.738
LGA    P    29_A      P    29_A     0.771     0    0.088   0.119     1.181   90.476   89.184
LGA    A    30_A      A    30_A     0.516     0    0.030   0.031     0.903   92.857   92.381
LGA    K    31_A      K    31_A     0.385     0    0.032   1.114     3.892  100.000   84.974
LGA    T    32_A      T    32_A     0.058     0    0.015   0.043     0.247  100.000  100.000
LGA    L    33_A      L    33_A     0.155     0    0.023   0.083     0.160  100.000  100.000
LGA    Q    34_A      Q    34_A     0.215     0    0.013   0.995     4.248  100.000   84.339
LGA    K    35_A      K    35_A     0.447     0    0.010   0.697     2.746  100.000   92.063
LGA    A    36_A      A    36_A     0.476     0    0.025   0.025     0.626  100.000   98.095
LGA    D    37_A      D    37_A     0.238     0    0.012   0.169     0.801  100.000   98.810
LGA    L    38_A      L    38_A     0.289     0    0.022   0.119     0.506   97.619   98.810
LGA    D    39_A      D    39_A     0.511     0    0.032   0.316     0.905   92.857   92.857
LGA    Q    40_A      Q    40_A     0.457     0    0.060   1.062     2.948   95.238   89.048
LGA    Y    41_A      Y    41_A     0.405     0    0.025   0.141     1.279  100.000   92.976
LGA    G    42_A      G    42_A     0.419     0    0.031   0.031     0.524   97.619   97.619
LGA    M    43_A      M    43_A     0.535     0    0.044   0.114     0.768   92.857   96.429
LGA    A    44_A      A    44_A     0.542     0    0.008   0.031     0.661   95.238   94.286
LGA    S    45_A      S    45_A     0.276     0    0.017   0.034     0.296  100.000  100.000
LGA    I    46_A      I    46_A     0.228     0    0.031   0.151     0.538  100.000   98.810
LGA    E    47_A      E    47_A     0.555     0    0.049   0.278     3.099   97.619   82.434
LGA    A    48_A      A    48_A     0.323     0    0.033   0.039     0.355  100.000  100.000
LGA    I    49_A      I    49_A     0.292     0    0.021   0.036     0.343  100.000  100.000
LGA    T    50_A      T    50_A     0.318     0    0.027   1.125     2.391  100.000   88.571
LGA    T    51_A      T    51_A     0.244     0    0.012   1.184     2.623  100.000   87.755
LGA    Q    52_A      Q    52_A     0.210     0    0.021   0.363     0.847  100.000   97.884
LGA    V    53_A      V    53_A     0.173     0    0.014   0.045     0.226  100.000  100.000
LGA    T    54_A      T    54_A     0.193     0    0.030   0.080     0.411  100.000  100.000
LGA    N    55_A      N    55_A     0.309     0    0.026   0.988     2.090  100.000   91.190
LGA    G    56_A      G    56_A     0.449     0    0.029   0.029     0.449  100.000  100.000
LGA    K    57_A      K    57_A     0.288     0    0.033   0.175     1.004  100.000   96.878
LGA    G    58_A      G    58_A     0.354     0    0.394   0.394     3.566   81.190   81.190
LGA    A    59_A      A    59_A     0.312     0    0.064   0.101     0.559   97.619   98.095
LGA    M    60_A      M    60_A     0.325     0    0.006   0.079     0.389  100.000  100.000
LGA    P    61_A      P    61_A     0.348     0    0.030   0.080     0.385  100.000  100.000
LGA    A    62_A      A    62_A     0.355     0    0.024   0.026     0.587   97.619   96.190
LGA    F    63_A      F    63_A     0.073     0    0.020   0.079     0.285  100.000  100.000
LGA    G    64_A      G    64_A     0.530     0    0.042   0.042     0.994   92.857   92.857
LGA    S    65_A      S    65_A     0.862     0    0.132   0.619     3.401   90.476   82.222
LGA    K    66_A      K    66_A     0.564     0    0.071   1.098     2.990   95.238   85.926
LGA    L    67_A      L    67_A     0.509     0    0.015   0.081     0.658   90.476   95.238
LGA    S    68_A      S    68_A     0.632     0    0.024   0.043     0.755   95.238   93.651
LGA    A    69_A      A    69_A     0.446     0    0.019   0.025     0.528   97.619   96.190
LGA    D    70_A      D    70_A     0.554     0    0.023   1.003     3.672   97.619   83.750
LGA    D    71_A      D    71_A     0.141     0    0.021   0.285     1.211  100.000   96.488
LGA    I    72_A      I    72_A     0.228     0    0.011   0.053     0.398  100.000  100.000
LGA    A    73_A      A    73_A     0.233     0    0.017   0.027     0.233  100.000  100.000
LGA    D    74_A      D    74_A     0.175     0    0.008   0.102     0.717  100.000   98.810
LGA    V    75_A      V    75_A     0.125     0    0.009   0.026     0.135  100.000  100.000
LGA    A    76_A      A    76_A     0.147     0    0.011   0.011     0.177  100.000  100.000
LGA    S    77_A      S    77_A     0.089     0    0.006   0.700     2.225  100.000   94.127
LGA    Y    78_A      Y    78_A     0.096     0    0.022   0.063     0.138  100.000  100.000
LGA    V    79_A      V    79_A     0.034     0    0.016   0.044     0.150  100.000  100.000
LGA    L    80_A      L    80_A     0.135     0    0.010   0.300     1.368  100.000   95.298
LGA    D    81_A      D    81_A     0.126     0    0.028   0.139     0.673  100.000   97.619
LGA    Q    82_A      Q    82_A     0.090     0    0.016   1.046     2.881  100.000   92.222
LGA    S    83_A      S    83_A     0.154     0    0.020   0.562     1.614  100.000   95.476
LGA    E    84_A      E    84_A     0.546     0    0.018   0.354     2.841   92.857   82.116
LGA    K    85_A      K    85_A     0.665     0    0.093   0.721     2.853   88.214   82.063
LGA    G    86_A      G    86_A     0.579     0    0.510   0.510     3.096   80.476   80.476
LGA    W    87_A      W    87_A     0.314     0    0.551   0.410     1.433   90.595   97.313
LGA    Q    88_A      Q    88_A     2.935     0    0.046   1.174     7.046   38.333   32.011
LGA    G    89_A      G    89_A     8.682     0    0.648   0.648    10.349    5.000    5.000

# 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):     1.081          1.203                  1.326           95.213   92.019

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   89   89    4.0     88    0.60    97.753    98.778    12.526

LGA_LOCAL      RMSD:   0.603  Number of atoms:   88  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.098  Number of assigned atoms:   89 
Std_ASGN_ATOMS RMSD:   1.081  Standard rmsd on all 89 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.340166 * X  +   0.139704 * Y  +   0.929930 * Z  + -15.485385
  Y_new =  -0.081181 * X  +  -0.980848 * Y  +   0.177049 * Z  + -19.161467
  Z_new =   0.936855 * X  +  -0.135719 * Y  +  -0.322309 * Z  + -15.893701 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.234270 -1.213526 -2.743045   [DEG:  -13.4227  -69.5299 -157.1649 ]
ZXZ:  1.758935  1.898964  1.714662   [DEG:  100.7795  108.8026   98.2429 ]
 
# END of job
