
#######################################################
#                                                     #
#                        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        0.62     0.62
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    89       1_A - 89_A        0.62     0.62
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    89       1_A - 89_A        0.62     0.62
  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   19   38   84   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     S     2_A     S     2_A     89   89   89     25   84   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A     3_A     A     3_A     89   89   89     77   84   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     D     4_A     D     4_A     89   89   89     77   84   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     L     5_A     L     5_A     89   89   89     77   84   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A     6_A     A     6_A     89   89   89     44   84   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     H     7_A     H     7_A     89   89   89     77   84   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G     8_A     G     8_A     89   89   89     77   84   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G     9_A     G     9_A     89   89   89     77   84   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Q    10_A     Q    10_A     89   89   89     77   84   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     V    11_A     V    11_A     89   89   89     77   84   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     F    12_A     F    12_A     89   89   89     77   84   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     S    13_A     S    13_A     89   89   89     77   84   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    14_A     A    14_A     89   89   89     77   84   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     N    15_A     N    15_A     89   89   89     77   84   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     C    16_A     C    16_A     89   89   89     77   84   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    17_A     A    17_A     89   89   89     77   84   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    18_A     A    18_A     89   89   89     77   84   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     C    19_A     C    19_A     89   89   89     77   84   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     H    20_A     H    20_A     89   89   89     77   84   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     L    21_A     L    21_A     89   89   89     77   84   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    22_A     G    22_A     89   89   89     77   84   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    23_A     G    23_A     89   89   89     77   84   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     R    24_A     R    24_A     89   89   89     77   84   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     N    25_A     N    25_A     89   89   89     77   84   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     V    26_A     V    26_A     89   89   89     77   84   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     V    27_A     V    27_A     89   89   89     77   84   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     N    28_A     N    28_A     89   89   89     77   84   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     P    29_A     P    29_A     89   89   89     65   84   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    30_A     A    30_A     89   89   89     77   84   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     K    31_A     K    31_A     89   89   89     77   84   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     T    32_A     T    32_A     89   89   89     77   84   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     L    33_A     L    33_A     89   89   89     77   84   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Q    34_A     Q    34_A     89   89   89     77   84   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     K    35_A     K    35_A     89   89   89     77   84   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    36_A     A    36_A     89   89   89     72   84   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     D    37_A     D    37_A     89   89   89     77   84   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     L    38_A     L    38_A     89   89   89     77   84   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     D    39_A     D    39_A     89   89   89     77   84   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Q    40_A     Q    40_A     89   89   89     77   84   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Y    41_A     Y    41_A     89   89   89     77   84   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    42_A     G    42_A     89   89   89     77   84   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     M    43_A     M    43_A     89   89   89     77   84   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    44_A     A    44_A     89   89   89     77   84   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     S    45_A     S    45_A     89   89   89     77   84   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     I    46_A     I    46_A     89   89   89     77   84   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     E    47_A     E    47_A     89   89   89     77   84   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    48_A     A    48_A     89   89   89     77   84   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     I    49_A     I    49_A     89   89   89     77   84   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     T    50_A     T    50_A     89   89   89     77   84   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     T    51_A     T    51_A     89   89   89     77   84   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Q    52_A     Q    52_A     89   89   89     77   84   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     V    53_A     V    53_A     89   89   89     77   84   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     T    54_A     T    54_A     89   89   89     77   84   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     N    55_A     N    55_A     89   89   89     77   84   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    56_A     G    56_A     89   89   89     77   84   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     K    57_A     K    57_A     89   89   89     77   84   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    58_A     G    58_A     89   89   89     51   84   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    59_A     A    59_A     89   89   89     77   84   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     M    60_A     M    60_A     89   89   89     77   84   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     P    61_A     P    61_A     89   89   89     77   84   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    62_A     A    62_A     89   89   89     77   84   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     F    63_A     F    63_A     89   89   89     77   84   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    64_A     G    64_A     89   89   89     77   84   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     S    65_A     S    65_A     89   89   89     62   84   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     K    66_A     K    66_A     89   89   89     77   84   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     L    67_A     L    67_A     89   89   89     77   84   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     S    68_A     S    68_A     89   89   89     77   84   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    69_A     A    69_A     89   89   89     77   84   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     D    70_A     D    70_A     89   89   89     77   84   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     D    71_A     D    71_A     89   89   89     77   84   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     I    72_A     I    72_A     89   89   89     77   84   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    73_A     A    73_A     89   89   89     77   84   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     D    74_A     D    74_A     89   89   89     77   84   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     V    75_A     V    75_A     89   89   89     77   84   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    76_A     A    76_A     89   89   89     77   84   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     S    77_A     S    77_A     89   89   89     77   84   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Y    78_A     Y    78_A     89   89   89     77   84   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     V    79_A     V    79_A     89   89   89     77   84   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     L    80_A     L    80_A     89   89   89     77   84   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     D    81_A     D    81_A     89   89   89     77   84   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Q    82_A     Q    82_A     89   89   89     77   84   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     S    83_A     S    83_A     89   89   89     77   84   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     E    84_A     E    84_A     89   89   89     29   84   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     K    85_A     K    85_A     89   89   89     10   83   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    86_A     G    86_A     89   89   89     33   84   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     W    87_A     W    87_A     89   89   89     77   84   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Q    88_A     Q    88_A     89   89   89     21   83   87   88   89   89   89   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   27   85   88   89   89   89   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     77     84     87     88     89     89     89     89     89     89     89     89     89     89     89     89     89     89     89     89 
GDT PERCENT_AT  86.52  94.38  97.75  98.88 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.29   0.36   0.42   0.50   0.62   0.62   0.62   0.62   0.62   0.62   0.62   0.62   0.62   0.62   0.62   0.62   0.62   0.62   0.62   0.62
GDT RMS_ALL_AT   0.62   0.62   0.62   0.62   0.62   0.62   0.62   0.62   0.62   0.62   0.62   0.62   0.62   0.62   0.62   0.62   0.62   0.62   0.62   0.62

# Checking swapping
#   possible swapping detected:  D    37_A      D    37_A
#   possible swapping detected:  D    39_A      D    39_A
#   possible swapping detected:  E    47_A      E    47_A
#   possible swapping detected:  F    63_A      F    63_A
#   possible swapping detected:  D    81_A      D    81_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     1_A      G     1_A     3.408     0    0.051   0.051     4.817   45.476   45.476
LGA    S     2_A      S     2_A     0.985     0    0.178   0.250     1.807   86.071   84.524
LGA    A     3_A      A     3_A     0.386     0    0.170   0.164     0.618   97.619   96.190
LGA    D     4_A      D     4_A     0.268     0    0.000   0.124     0.550   97.619   97.619
LGA    L     5_A      L     5_A     0.225     0    0.053   0.042     0.563  100.000   98.810
LGA    A     6_A      A     6_A     0.656     0    0.084   0.085     0.936   95.238   94.286
LGA    H     7_A      H     7_A     0.432     0    0.080   1.161     2.492  100.000   88.143
LGA    G     8_A      G     8_A     0.087     0    0.078   0.078     0.253  100.000  100.000
LGA    G     9_A      G     9_A     0.363     0    0.083   0.083     0.363  100.000  100.000
LGA    Q    10_A      Q    10_A     0.314     0    0.007   0.094     0.961  100.000   95.767
LGA    V    11_A      V    11_A     0.059     0    0.068   0.074     0.145  100.000  100.000
LGA    F    12_A      F    12_A     0.126     0    0.075   0.061     0.276  100.000  100.000
LGA    S    13_A      S    13_A     0.381     0    0.000   0.008     0.667   95.238   96.825
LGA    A    14_A      A    14_A     0.402     0    0.000   0.050     0.587   97.619   98.095
LGA    N    15_A      N    15_A     0.367     0    0.000   0.053     0.524  100.000   98.810
LGA    C    16_A      C    16_A     0.157     0    0.000   0.095     0.266  100.000  100.000
LGA    A    17_A      A    17_A     0.236     0    0.095   0.088     0.397  100.000  100.000
LGA    A    18_A      A    18_A     0.303     0    0.052   0.072     0.371  100.000  100.000
LGA    C    19_A      C    19_A     0.141     0    0.000   0.000     0.210  100.000  100.000
LGA    H    20_A      H    20_A     0.056     0    0.000   0.115     0.396  100.000  100.000
LGA    L    21_A      L    21_A     0.231     0    0.076   0.151     0.629   97.619   97.619
LGA    G    22_A      G    22_A     0.431     0    0.082   0.082     0.431  100.000  100.000
LGA    G    23_A      G    23_A     0.305     0    0.000   0.000     0.344  100.000  100.000
LGA    R    24_A      R    24_A     0.316     0    0.000   0.725     2.091  100.000   87.662
LGA    N    25_A      N    25_A     0.296     0    0.068   0.171     0.575   97.619   98.810
LGA    V    26_A      V    26_A     0.507     0    0.000   0.044     0.699   92.857   91.837
LGA    V    27_A      V    27_A     0.446     0    0.064   0.068     0.492  100.000  100.000
LGA    N    28_A      N    28_A     0.410     0    0.084   0.879     3.532  100.000   82.262
LGA    P    29_A      P    29_A     0.651     0    0.031   0.072     0.922   90.476   90.476
LGA    A    30_A      A    30_A     0.552     0    0.014   0.014     0.701   97.619   96.190
LGA    K    31_A      K    31_A     0.443     0    0.045   0.866     3.648  100.000   86.508
LGA    T    32_A      T    32_A     0.150     0    0.038   0.038     0.287  100.000  100.000
LGA    L    33_A      L    33_A     0.061     0    0.053   0.077     0.318  100.000  100.000
LGA    Q    34_A      Q    34_A     0.175     0    0.063   0.570     2.223  100.000   95.026
LGA    K    35_A      K    35_A     0.339     0    0.000   0.638     2.835   97.619   91.005
LGA    A    36_A      A    36_A     0.547     0    0.081   0.099     0.708   92.857   92.381
LGA    D    37_A      D    37_A     0.353     0    0.000   0.600     2.359  100.000   92.024
LGA    L    38_A      L    38_A     0.192     0    0.000   0.119     0.334  100.000  100.000
LGA    D    39_A      D    39_A     0.224     0    0.000   0.802     3.356  100.000   83.988
LGA    Q    40_A      Q    40_A     0.260     0    0.000   0.902     5.208   97.619   76.349
LGA    Y    41_A      Y    41_A     0.353     0    0.000   0.340     1.828  100.000   89.246
LGA    G    42_A      G    42_A     0.312     0    0.000   0.000     0.319  100.000  100.000
LGA    M    43_A      M    43_A     0.191     0    0.087   0.121     0.458  100.000  100.000
LGA    A    44_A      A    44_A     0.522     0    0.000   0.000     0.667   95.238   94.286
LGA    S    45_A      S    45_A     0.162     0    0.000   0.078     0.236  100.000  100.000
LGA    I    46_A      I    46_A     0.092     0    0.071   0.661     2.288  100.000   95.595
LGA    E    47_A      E    47_A     0.504     0    0.095   0.990     4.839   97.619   75.185
LGA    A    48_A      A    48_A     0.279     0    0.065   0.041     0.352  100.000  100.000
LGA    I    49_A      I    49_A     0.273     0    0.000   0.039     0.375  100.000  100.000
LGA    T    50_A      T    50_A     0.311     0    0.000   1.130     2.366  100.000   88.571
LGA    T    51_A      T    51_A     0.382     0    0.000   0.000     0.550  100.000   98.639
LGA    Q    52_A      Q    52_A     0.235     0    0.074   0.313     0.988  100.000   97.884
LGA    V    53_A      V    53_A     0.193     0    0.000   0.000     0.213  100.000  100.000
LGA    T    54_A      T    54_A     0.272     0    0.069   0.099     0.372  100.000  100.000
LGA    N    55_A      N    55_A     0.360     0    0.060   0.312     1.042  100.000   96.488
LGA    G    56_A      G    56_A     0.277     0    0.000   0.000     0.310  100.000  100.000
LGA    K    57_A      K    57_A     0.129     0    0.049   0.132     0.359  100.000  100.000
LGA    G    58_A      G    58_A     0.754     0    0.086   0.086     0.754   92.857   92.857
LGA    A    59_A      A    59_A     0.547     0    0.000   0.012     0.615   92.857   94.286
LGA    M    60_A      M    60_A     0.304     0    0.000   0.140     0.601  100.000   98.810
LGA    P    61_A      P    61_A     0.316     0    0.079   0.168     0.753   97.619   95.918
LGA    A    62_A      A    62_A     0.406     0    0.113   0.117     0.812   97.619   98.095
LGA    F    63_A      F    63_A     0.116     0    0.029   0.107     0.505  100.000   99.134
LGA    G    64_A      G    64_A     0.324     0    0.658   0.658     3.197   85.119   85.119
LGA    S    65_A      S    65_A     0.805     0    0.136   0.156     1.488   90.595   87.540
LGA    K    66_A      K    66_A     0.453     0    0.076   1.061     6.240   97.619   75.873
LGA    L    67_A      L    67_A     0.221     0    0.061   0.060     0.238  100.000  100.000
LGA    S    68_A      S    68_A     0.149     0    0.090   0.183     0.550  100.000   98.413
LGA    A    69_A      A    69_A     0.261     0    0.054   0.069     0.349  100.000  100.000
LGA    D    70_A      D    70_A     0.191     0    0.090   0.199     0.960  100.000   96.429
LGA    D    71_A      D    71_A     0.159     0    0.000   0.121     0.439  100.000  100.000
LGA    I    72_A      I    72_A     0.188     0    0.080   0.105     0.354  100.000  100.000
LGA    A    73_A      A    73_A     0.257     0    0.000   0.000     0.379  100.000  100.000
LGA    D    74_A      D    74_A     0.176     0    0.056   0.236     0.726  100.000   97.619
LGA    V    75_A      V    75_A     0.107     0    0.000   0.054     0.140  100.000  100.000
LGA    A    76_A      A    76_A     0.175     0    0.000   0.000     0.335  100.000  100.000
LGA    S    77_A      S    77_A     0.370     0    0.000   0.624     1.788  100.000   93.889
LGA    Y    78_A      Y    78_A     0.143     0    0.052   0.086     0.248  100.000  100.000
LGA    V    79_A      V    79_A     0.115     0    0.000   0.000     0.306  100.000  100.000
LGA    L    80_A      L    80_A     0.489     0    0.070   1.396     3.306   97.619   83.571
LGA    D    81_A      D    81_A     0.445     0    0.023   0.142     0.801   97.619   95.238
LGA    Q    82_A      Q    82_A     0.237     0    0.049   1.021     2.187  100.000   92.169
LGA    S    83_A      S    83_A     0.284     0    0.066   0.529     2.010  100.000   94.127
LGA    E    84_A      E    84_A     0.975     0    0.041   0.146     2.251   85.952   78.783
LGA    K    85_A      K    85_A     1.290     0    0.121   0.231     1.932   79.286   76.667
LGA    G    86_A      G    86_A     1.131     0    0.591   0.591     3.923   72.024   72.024
LGA    W    87_A      W    87_A     0.266     0    0.067   0.145     0.836   95.238   97.279
LGA    Q    88_A      Q    88_A     1.205     0    0.679   0.986     7.138   72.024   52.804
LGA    G    89_A      G    89_A     2.489     0    0.648   0.648     2.489   70.952   70.952

# 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):     0.615          0.707                  1.054           96.596   93.485

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   89   89    4.0     89    0.62    98.315    99.310    12.445

LGA_LOCAL      RMSD:   0.615  Number of atoms:   89  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.615  Number of assigned atoms:   89 
Std_ASGN_ATOMS RMSD:   0.615  Standard rmsd on all 89 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.697106 * X  +  -0.503601 * Y  +  -0.510323 * Z  + 513.028992
  Y_new =  -0.081377 * X  +   0.762756 * Y  +  -0.641546 * Z  + 176.939423
  Z_new =   0.712335 * X  +  -0.405697 * Y  +  -0.572703 * Z  + 315.308411 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -3.025383 -0.792819 -2.525258   [DEG: -173.3417  -45.4252 -144.6866 ]
ZXZ: -0.671965  2.180596  2.088511   [DEG:  -38.5008  124.9389  119.6629 ]
 
# END of job
