
#######################################################
#                                                     #
#                        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        0.96     0.96
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    89       1_A - 89_A        0.96     0.96
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    89       1_A - 89_A        0.96     0.96
  LCS_AVERAGE:    100.00

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     89   89   89      3    9   17   40   66   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     S     2_A     S     2_A     89   89   89      3    4    4    5    6   37   85   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A     3_A     A     3_A     89   89   89      6   69   87   87   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     D     4_A     D     4_A     89   89   89     63   84   87   87   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     L     5_A     L     5_A     89   89   89     63   84   87   87   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A     6_A     A     6_A     89   89   89     63   84   87   87   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     H     7_A     H     7_A     89   89   89     63   84   87   87   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G     8_A     G     8_A     89   89   89     63   84   87   87   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G     9_A     G     9_A     89   89   89     63   84   87   87   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Q    10_A     Q    10_A     89   89   89     63   84   87   87   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     V    11_A     V    11_A     89   89   89     63   84   87   87   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     F    12_A     F    12_A     89   89   89     63   84   87   87   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     S    13_A     S    13_A     89   89   89     63   84   87   87   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    14_A     A    14_A     89   89   89     63   84   87   87   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     N    15_A     N    15_A     89   89   89     63   84   87   87   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     C    16_A     C    16_A     89   89   89     63   84   87   87   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    17_A     A    17_A     89   89   89     63   84   87   87   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    18_A     A    18_A     89   89   89     61   84   87   87   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     C    19_A     C    19_A     89   89   89     54   84   87   87   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     H    20_A     H    20_A     89   89   89     63   84   87   87   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     L    21_A     L    21_A     89   89   89     49   84   87   87   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    22_A     G    22_A     89   89   89     63   84   87   87   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    23_A     G    23_A     89   89   89     61   84   87   87   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     R    24_A     R    24_A     89   89   89     63   84   87   87   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     N    25_A     N    25_A     89   89   89     63   84   87   87   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     V    26_A     V    26_A     89   89   89     63   84   87   87   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     V    27_A     V    27_A     89   89   89     62   84   87   87   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     N    28_A     N    28_A     89   89   89     62   84   87   87   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     P    29_A     P    29_A     89   89   89     62   84   87   87   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    30_A     A    30_A     89   89   89     62   84   87   87   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     K    31_A     K    31_A     89   89   89     63   84   87   87   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     T    32_A     T    32_A     89   89   89     63   84   87   87   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     L    33_A     L    33_A     89   89   89     63   84   87   87   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Q    34_A     Q    34_A     89   89   89     63   84   87   87   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     K    35_A     K    35_A     89   89   89     59   84   87   87   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    36_A     A    36_A     89   89   89     63   84   87   87   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     D    37_A     D    37_A     89   89   89     63   84   87   87   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     L    38_A     L    38_A     89   89   89     63   84   87   87   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     D    39_A     D    39_A     89   89   89     16   84   87   87   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Q    40_A     Q    40_A     89   89   89     27   84   87   87   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Y    41_A     Y    41_A     89   89   89     13   84   87   87   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    42_A     G    42_A     89   89   89     27   84   87   87   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     M    43_A     M    43_A     89   89   89     63   84   87   87   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    44_A     A    44_A     89   89   89     63   84   87   87   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     S    45_A     S    45_A     89   89   89     63   84   87   87   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     I    46_A     I    46_A     89   89   89     63   84   87   87   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     E    47_A     E    47_A     89   89   89     63   84   87   87   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    48_A     A    48_A     89   89   89     63   84   87   87   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     I    49_A     I    49_A     89   89   89     63   84   87   87   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     T    50_A     T    50_A     89   89   89     63   84   87   87   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     T    51_A     T    51_A     89   89   89     63   84   87   87   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Q    52_A     Q    52_A     89   89   89     63   84   87   87   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     V    53_A     V    53_A     89   89   89     63   84   87   87   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     T    54_A     T    54_A     89   89   89     63   84   87   87   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     N    55_A     N    55_A     89   89   89     63   84   87   87   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    56_A     G    56_A     89   89   89     63   84   87   87   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     K    57_A     K    57_A     89   89   89     48   84   87   87   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    58_A     G    58_A     89   89   89     27   79   87   87   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    59_A     A    59_A     89   89   89     48   84   87   87   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     M    60_A     M    60_A     89   89   89     63   84   87   87   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     P    61_A     P    61_A     89   89   89     63   84   87   87   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    62_A     A    62_A     89   89   89     63   84   87   87   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     F    63_A     F    63_A     89   89   89     63   84   87   87   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    64_A     G    64_A     89   89   89     63   84   87   87   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     S    65_A     S    65_A     89   89   89     59   84   87   87   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     K    66_A     K    66_A     89   89   89     63   84   87   87   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     L    67_A     L    67_A     89   89   89     62   84   87   87   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     S    68_A     S    68_A     89   89   89     63   84   87   87   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    69_A     A    69_A     89   89   89     63   84   87   87   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     D    70_A     D    70_A     89   89   89     63   84   87   87   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     D    71_A     D    71_A     89   89   89     63   84   87   87   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     I    72_A     I    72_A     89   89   89     63   84   87   87   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    73_A     A    73_A     89   89   89     63   84   87   87   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     D    74_A     D    74_A     89   89   89     63   84   87   87   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     V    75_A     V    75_A     89   89   89     63   84   87   87   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    76_A     A    76_A     89   89   89     63   84   87   87   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     S    77_A     S    77_A     89   89   89     63   84   87   87   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Y    78_A     Y    78_A     89   89   89     63   84   87   87   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     V    79_A     V    79_A     89   89   89     63   84   87   87   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     L    80_A     L    80_A     89   89   89     63   84   87   87   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     D    81_A     D    81_A     89   89   89     63   84   87   87   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Q    82_A     Q    82_A     89   89   89     63   84   87   87   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     S    83_A     S    83_A     89   89   89     63   84   87   87   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     E    84_A     E    84_A     89   89   89     63   84   87   87   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     K    85_A     K    85_A     89   89   89     63   84   87   87   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    86_A     G    86_A     89   89   89     63   84   87   87   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     W    87_A     W    87_A     89   89   89     63   84   87   87   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Q    88_A     Q    88_A     89   89   89     26   84   87   87   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    89_A     G    89_A     89   89   89      0   15   87   87   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_AVERAGE  LCS_A: 100.00  ( 100.00  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     63     84     87     87     87     87     88     89     89     89     89     89     89     89     89     89     89     89     89     89 
GDT PERCENT_AT  70.79  94.38  97.75  97.75  97.75  97.75  98.88 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.27   0.43   0.49   0.49   0.49   0.49   0.73   0.96   0.96   0.96   0.96   0.96   0.96   0.96   0.96   0.96   0.96   0.96   0.96   0.96
GDT RMS_ALL_AT   0.99   0.98   0.99   0.99   0.99   0.99   0.97   0.96   0.96   0.96   0.96   0.96   0.96   0.96   0.96   0.96   0.96   0.96   0.96   0.96

# Checking swapping
#   possible swapping detected:  F    12_A      F    12_A
#   possible swapping detected:  Y    41_A      Y    41_A
#   possible swapping detected:  E    47_A      E    47_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     1_A      G     1_A     4.838     0    0.139   0.139     4.838   38.929   38.929
LGA    S     2_A      S     2_A     5.826     0    0.669   0.828     7.831   29.405   23.016
LGA    A     3_A      A     3_A     1.504     0    0.581   0.648     2.262   72.976   71.333
LGA    D     4_A      D     4_A     0.274     0    0.069   0.083     0.498  100.000  100.000
LGA    L     5_A      L     5_A     0.361     0    0.058   0.056     0.459  100.000  100.000
LGA    A     6_A      A     6_A     0.522     0    0.048   0.051     0.811   97.619   96.190
LGA    H     7_A      H     7_A     0.444     0    0.048   1.137     2.351  100.000   88.381
LGA    G     8_A      G     8_A     0.330     0    0.071   0.071     0.556   97.619   97.619
LGA    G     9_A      G     9_A     0.233     0    0.021   0.021     0.268  100.000  100.000
LGA    Q    10_A      Q    10_A     0.310     0    0.011   0.350     0.990   97.619   96.825
LGA    V    11_A      V    11_A     0.588     0    0.013   0.040     0.902   95.238   93.197
LGA    F    12_A      F    12_A     0.347     0    0.033   0.049     0.542  100.000   98.268
LGA    S    13_A      S    13_A     0.279     0    0.007   0.047     0.474  100.000  100.000
LGA    A    14_A      A    14_A     0.350     0    0.062   0.073     0.585   97.619   98.095
LGA    N    15_A      N    15_A     0.318     0    0.041   0.058     0.919  100.000   95.238
LGA    C    16_A      C    16_A     0.462     0    0.041   0.127     0.977   95.238   93.651
LGA    A    17_A      A    17_A     0.537     0    0.029   0.026     0.693   90.476   90.476
LGA    A    18_A      A    18_A     0.586     0    0.017   0.017     0.872   90.476   90.476
LGA    C    19_A      C    19_A     0.783     0    0.050   0.071     0.990   90.476   90.476
LGA    H    20_A      H    20_A     0.483     0    0.301   1.142     2.359   90.595   85.476
LGA    L    21_A      L    21_A     0.721     0    0.067   0.183     1.323   95.238   89.464
LGA    G    22_A      G    22_A     0.440     0    0.083   0.083     0.446  100.000  100.000
LGA    G    23_A      G    23_A     0.586     0    0.072   0.072     0.943   92.857   92.857
LGA    R    24_A      R    24_A     0.408     0    0.228   1.192     7.461   88.810   63.463
LGA    N    25_A      N    25_A     0.216     0    0.058   0.111     0.817   97.619   97.619
LGA    V    26_A      V    26_A     0.442     0    0.124   0.146     1.277   92.976   91.905
LGA    V    27_A      V    27_A     0.596     0    0.043   0.048     0.856   92.857   93.197
LGA    N    28_A      N    28_A     0.690     0    0.060   0.153     1.298   92.857   90.536
LGA    P    29_A      P    29_A     0.608     0    0.015   0.027     0.642   90.476   90.476
LGA    A    30_A      A    30_A     0.635     0    0.040   0.041     0.772   90.476   90.476
LGA    K    31_A      K    31_A     0.415     0    0.091   0.094     0.830   97.619   94.709
LGA    T    32_A      T    32_A     0.267     0    0.019   0.033     0.267  100.000  100.000
LGA    L    33_A      L    33_A     0.227     0    0.014   0.177     0.673  100.000   98.810
LGA    Q    34_A      Q    34_A     0.539     0    0.034   0.744     2.446   95.238   86.772
LGA    K    35_A      K    35_A     0.712     0    0.020   0.556     3.618   92.857   75.291
LGA    A    36_A      A    36_A     0.439     0    0.029   0.030     0.549   97.619   98.095
LGA    D    37_A      D    37_A     0.253     0    0.028   0.119     0.506  100.000   98.810
LGA    L    38_A      L    38_A     0.254     0    0.022   0.117     0.660   97.619   96.429
LGA    D    39_A      D    39_A     0.802     0    0.020   0.047     1.265   88.214   85.952
LGA    Q    40_A      Q    40_A     0.852     0    0.051   1.146     4.659   85.952   78.148
LGA    Y    41_A      Y    41_A     0.980     0    0.012   0.068     1.298   85.952   85.952
LGA    G    42_A      G    42_A     1.051     0    0.053   0.053     1.051   85.952   85.952
LGA    M    43_A      M    43_A     0.506     0    0.056   0.922     2.473   95.238   89.643
LGA    A    44_A      A    44_A     0.360     0    0.268   0.256     0.999   97.619   96.190
LGA    S    45_A      S    45_A     0.334     0    0.018   0.040     0.523   97.619   98.413
LGA    I    46_A      I    46_A     0.084     0    0.036   0.069     0.497  100.000  100.000
LGA    E    47_A      E    47_A     0.232     0    0.040   0.952     4.024  100.000   79.577
LGA    A    48_A      A    48_A     0.266     0    0.018   0.023     0.379  100.000  100.000
LGA    I    49_A      I    49_A     0.210     0    0.012   0.063     0.249  100.000  100.000
LGA    T    50_A      T    50_A     0.175     0    0.041   1.096     2.456  100.000   89.728
LGA    T    51_A      T    51_A     0.187     0    0.020   0.051     0.389  100.000  100.000
LGA    Q    52_A      Q    52_A     0.406     0    0.048   0.754     3.747  100.000   85.503
LGA    V    53_A      V    53_A     0.133     0    0.023   0.026     0.239  100.000  100.000
LGA    T    54_A      T    54_A     0.190     0    0.025   0.070     0.267  100.000  100.000
LGA    N    55_A      N    55_A     0.307     0    0.043   0.096     0.454  100.000  100.000
LGA    G    56_A      G    56_A     0.554     0    0.008   0.008     0.612   90.476   90.476
LGA    K    57_A      K    57_A     0.895     0    0.037   0.592     1.724   90.476   86.508
LGA    G    58_A      G    58_A     1.275     0    0.022   0.022     1.275   81.429   81.429
LGA    A    59_A      A    59_A     0.724     0    0.024   0.023     0.931   95.238   94.286
LGA    M    60_A      M    60_A     0.349     0    0.008   0.168     0.545  100.000   98.810
LGA    P    61_A      P    61_A     0.345     0    0.032   0.159     0.486  100.000  100.000
LGA    A    62_A      A    62_A     0.329     0    0.026   0.028     0.386  100.000  100.000
LGA    F    63_A      F    63_A     0.429     0    0.025   0.098     0.558   97.619   96.537
LGA    G    64_A      G    64_A     0.429     0    0.031   0.031     0.812   95.238   95.238
LGA    S    65_A      S    65_A     0.950     0    0.086   0.673     3.344   85.952   79.206
LGA    K    66_A      K    66_A     0.643     0    0.096   0.800     2.310   95.238   86.878
LGA    L    67_A      L    67_A     0.623     0    0.017   0.029     0.736   90.476   90.476
LGA    S    68_A      S    68_A     0.675     0    0.035   0.045     0.805   95.238   93.651
LGA    A    69_A      A    69_A     0.317     0    0.018   0.021     0.447  100.000  100.000
LGA    D    70_A      D    70_A     0.535     0    0.033   0.154     1.599   97.619   90.714
LGA    D    71_A      D    71_A     0.292     0    0.026   0.261     0.687  100.000   97.619
LGA    I    72_A      I    72_A     0.251     0    0.017   0.057     0.420  100.000  100.000
LGA    A    73_A      A    73_A     0.239     0    0.016   0.028     0.242  100.000  100.000
LGA    D    74_A      D    74_A     0.237     0    0.008   0.047     0.237  100.000  100.000
LGA    V    75_A      V    75_A     0.292     0    0.050   0.884     2.016  100.000   89.728
LGA    A    76_A      A    76_A     0.247     0    0.011   0.017     0.305  100.000  100.000
LGA    S    77_A      S    77_A     0.238     0    0.008   0.027     0.351  100.000  100.000
LGA    Y    78_A      Y    78_A     0.229     0    0.043   0.037     0.327  100.000  100.000
LGA    V    79_A      V    79_A     0.193     0    0.018   0.036     0.275  100.000  100.000
LGA    L    80_A      L    80_A     0.250     0    0.010   0.106     0.684  100.000   98.810
LGA    D    81_A      D    81_A     0.240     0    0.006   0.130     0.316  100.000  100.000
LGA    Q    82_A      Q    82_A     0.200     0    0.015   0.095     0.489  100.000  100.000
LGA    S    83_A      S    83_A     0.214     0    0.014   0.031     0.247  100.000  100.000
LGA    E    84_A      E    84_A     0.237     0    0.016   0.876     4.136  100.000   84.339
LGA    K    85_A      K    85_A     0.198     0    0.021   0.438     1.462  100.000   96.878
LGA    G    86_A      G    86_A     0.378     0    0.011   0.011     0.378  100.000  100.000
LGA    W    87_A      W    87_A     0.390     0    0.095   0.157     1.228   92.976   93.912
LGA    Q    88_A      Q    88_A     0.902     0    0.537   0.883     4.307   82.143   66.296
LGA    G    89_A      G    89_A     1.352     0    0.694   0.694     4.972   59.405   59.405

# 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):     0.962          0.966                  1.211           94.219   91.492

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   89   89    4.0     89    0.96    98.034    98.881     8.384

LGA_LOCAL      RMSD:   0.962  Number of atoms:   89  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.962  Number of assigned atoms:   89 
Std_ASGN_ATOMS RMSD:   0.962  Standard rmsd on all 89 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.122276 * X  +  -0.434740 * Y  +   0.892216 * Z  +   6.610734
  Y_new =  -0.915419 * X  +   0.396742 * Y  +   0.067860 * Z  + -23.898033
  Z_new =  -0.383480 * X  +  -0.808453 * Y  +  -0.446482 * Z  +  12.313582 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.703585  0.393562 -2.075378   [DEG:  -97.6082   22.5494 -118.9104 ]
ZXZ:  1.646708  2.033626 -2.698684   [DEG:   94.3494  116.5182 -154.6232 ]
 
# END of job
