
#######################################################
#                                                     #
#                        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   88 (  632),  selected   88 , name one
# Molecule2: number of CA atoms   89 (  636),  selected   88 , 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:    88       2_A - 89_A        0.93     0.93
  LCS_AVERAGE:     98.88

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    88       2_A - 89_A        0.93     0.93
  LCS_AVERAGE:     98.88

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    88       2_A - 89_A        0.93     0.93
  LCS_AVERAGE:     98.88

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   88
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     S     2_A     S     2_A     88   88   88      3    3    4   14   40   81   87   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     A     3_A     A     3_A     88   88   88     40   85   85   85   86   86   87   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     D     4_A     D     4_A     88   88   88     79   85   85   85   86   86   87   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     L     5_A     L     5_A     88   88   88     79   85   85   85   86   86   87   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     A     6_A     A     6_A     88   88   88     52   85   85   85   86   86   87   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     H     7_A     H     7_A     88   88   88     79   85   85   85   86   86   87   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     G     8_A     G     8_A     88   88   88     79   85   85   85   86   86   87   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     G     9_A     G     9_A     88   88   88     79   85   85   85   86   86   87   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     Q    10_A     Q    10_A     88   88   88     79   85   85   85   86   86   87   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     V    11_A     V    11_A     88   88   88     79   85   85   85   86   86   87   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     F    12_A     F    12_A     88   88   88     79   85   85   85   86   86   87   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     S    13_A     S    13_A     88   88   88     79   85   85   85   86   86   87   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     A    14_A     A    14_A     88   88   88     79   85   85   85   86   86   87   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     N    15_A     N    15_A     88   88   88     79   85   85   85   86   86   87   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     C    16_A     C    16_A     88   88   88     79   85   85   85   86   86   87   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     A    17_A     A    17_A     88   88   88     79   85   85   85   86   86   87   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     A    18_A     A    18_A     88   88   88     79   85   85   85   86   86   87   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     C    19_A     C    19_A     88   88   88     79   85   85   85   86   86   87   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     H    20_A     H    20_A     88   88   88     79   85   85   85   86   86   87   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     L    21_A     L    21_A     88   88   88     79   85   85   85   86   86   87   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     G    22_A     G    22_A     88   88   88     79   85   85   85   86   86   87   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     G    23_A     G    23_A     88   88   88     79   85   85   85   86   86   87   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     R    24_A     R    24_A     88   88   88     79   85   85   85   86   86   87   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     N    25_A     N    25_A     88   88   88     79   85   85   85   86   86   87   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     V    26_A     V    26_A     88   88   88     79   85   85   85   86   86   87   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     V    27_A     V    27_A     88   88   88     79   85   85   85   86   86   87   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     N    28_A     N    28_A     88   88   88     79   85   85   85   86   86   87   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     P    29_A     P    29_A     88   88   88     79   85   85   85   86   86   87   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     A    30_A     A    30_A     88   88   88     79   85   85   85   86   86   87   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     K    31_A     K    31_A     88   88   88     79   85   85   85   86   86   87   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     T    32_A     T    32_A     88   88   88     79   85   85   85   86   86   87   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     L    33_A     L    33_A     88   88   88     79   85   85   85   86   86   87   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     Q    34_A     Q    34_A     88   88   88     79   85   85   85   86   86   87   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     K    35_A     K    35_A     88   88   88     79   85   85   85   86   86   87   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     A    36_A     A    36_A     88   88   88     79   85   85   85   86   86   87   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     D    37_A     D    37_A     88   88   88     79   85   85   85   86   86   87   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     L    38_A     L    38_A     88   88   88     79   85   85   85   86   86   87   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     D    39_A     D    39_A     88   88   88     79   85   85   85   86   86   87   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     Q    40_A     Q    40_A     88   88   88     79   85   85   85   86   86   87   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     Y    41_A     Y    41_A     88   88   88     79   85   85   85   86   86   87   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     G    42_A     G    42_A     88   88   88     79   85   85   85   86   86   87   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     M    43_A     M    43_A     88   88   88     79   85   85   85   86   86   87   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     A    44_A     A    44_A     88   88   88     79   85   85   85   86   86   87   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     S    45_A     S    45_A     88   88   88     79   85   85   85   86   86   87   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     I    46_A     I    46_A     88   88   88     79   85   85   85   86   86   87   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     E    47_A     E    47_A     88   88   88     79   85   85   85   86   86   87   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     A    48_A     A    48_A     88   88   88     79   85   85   85   86   86   87   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     I    49_A     I    49_A     88   88   88     79   85   85   85   86   86   87   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     T    50_A     T    50_A     88   88   88     79   85   85   85   86   86   87   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     T    51_A     T    51_A     88   88   88     79   85   85   85   86   86   87   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     Q    52_A     Q    52_A     88   88   88     79   85   85   85   86   86   87   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     V    53_A     V    53_A     88   88   88     79   85   85   85   86   86   87   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     T    54_A     T    54_A     88   88   88     79   85   85   85   86   86   87   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     N    55_A     N    55_A     88   88   88     79   85   85   85   86   86   87   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     G    56_A     G    56_A     88   88   88     79   85   85   85   86   86   87   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     K    57_A     K    57_A     88   88   88     79   85   85   85   86   86   87   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     G    58_A     G    58_A     88   88   88     37   85   85   85   86   86   87   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     A    59_A     A    59_A     88   88   88     79   85   85   85   86   86   87   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     M    60_A     M    60_A     88   88   88     79   85   85   85   86   86   87   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     P    61_A     P    61_A     88   88   88     79   85   85   85   86   86   87   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     A    62_A     A    62_A     88   88   88     79   85   85   85   86   86   87   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     F    63_A     F    63_A     88   88   88     79   85   85   85   86   86   87   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     G    64_A     G    64_A     88   88   88     79   85   85   85   86   86   87   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     S    65_A     S    65_A     88   88   88     79   85   85   85   86   86   87   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     K    66_A     K    66_A     88   88   88     79   85   85   85   86   86   87   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     L    67_A     L    67_A     88   88   88     79   85   85   85   86   86   87   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     S    68_A     S    68_A     88   88   88     79   85   85   85   86   86   87   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     A    69_A     A    69_A     88   88   88     79   85   85   85   86   86   87   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     D    70_A     D    70_A     88   88   88     79   85   85   85   86   86   87   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     D    71_A     D    71_A     88   88   88     79   85   85   85   86   86   87   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     I    72_A     I    72_A     88   88   88     79   85   85   85   86   86   87   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     A    73_A     A    73_A     88   88   88     79   85   85   85   86   86   87   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     D    74_A     D    74_A     88   88   88     79   85   85   85   86   86   87   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     V    75_A     V    75_A     88   88   88     79   85   85   85   86   86   87   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     A    76_A     A    76_A     88   88   88     79   85   85   85   86   86   87   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     S    77_A     S    77_A     88   88   88     79   85   85   85   86   86   87   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     Y    78_A     Y    78_A     88   88   88     79   85   85   85   86   86   87   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     V    79_A     V    79_A     88   88   88     79   85   85   85   86   86   87   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     L    80_A     L    80_A     88   88   88     79   85   85   85   86   86   87   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     D    81_A     D    81_A     88   88   88     79   85   85   85   86   86   87   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     Q    82_A     Q    82_A     88   88   88     79   85   85   85   86   86   87   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     S    83_A     S    83_A     88   88   88     79   85   85   85   86   86   87   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     E    84_A     E    84_A     88   88   88     72   85   85   85   86   86   87   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     K    85_A     K    85_A     88   88   88     58   85   85   85   86   86   87   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     G    86_A     G    86_A     88   88   88     56   85   85   85   86   86   87   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     W    87_A     W    87_A     88   88   88     79   85   85   85   86   86   87   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     Q    88_A     Q    88_A     88   88   88      0    6    7   39   86   86   87   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     G    89_A     G    89_A     88   88   88      0    3    4    4   35   44   54   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_AVERAGE  LCS_A:  98.88  (  98.88   98.88   98.88 )

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     79     85     85     85     86     86     87     87     88     88     88     88     88     88     88     88     88     88     88     88 
GDT PERCENT_AT  88.76  95.51  95.51  95.51  96.63  96.63  97.75  97.75  98.88  98.88  98.88  98.88  98.88  98.88  98.88  98.88  98.88  98.88  98.88  98.88
GDT RMS_LOCAL    0.27   0.34   0.34   0.34   0.48   0.48   0.68   0.68   0.93   0.93   0.93   0.93   0.93   0.93   0.93   0.93   0.93   0.93   0.93   0.93
GDT RMS_ALL_AT   0.94   0.95   0.95   0.95   0.94   0.94   0.94   0.94   0.93   0.93   0.93   0.93   0.93   0.93   0.93   0.93   0.93   0.93   0.93   0.93

# Checking swapping
#   possible swapping detected:  E    47_A      E    47_A
#   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    S     2_A      S     2_A     4.444     0    0.072   0.078     7.414   37.500   28.333
LGA    A     3_A      A     3_A     0.885     0    0.368   0.378     1.760   88.214   85.143
LGA    D     4_A      D     4_A     0.490     0    0.022   0.081     0.831   97.619   95.238
LGA    L     5_A      L     5_A     0.359     0    0.057   0.069     0.544  100.000   97.619
LGA    A     6_A      A     6_A     0.673     0    0.046   0.052     0.939   92.857   92.381
LGA    H     7_A      H     7_A     0.490     0    0.040   1.160     2.296   97.619   85.524
LGA    G     8_A      G     8_A     0.284     0    0.034   0.034     0.402  100.000  100.000
LGA    G     9_A      G     9_A     0.298     0    0.019   0.019     0.298  100.000  100.000
LGA    Q    10_A      Q    10_A     0.279     0    0.025   0.280     0.866  100.000   97.884
LGA    V    11_A      V    11_A     0.266     0    0.021   0.036     0.369  100.000  100.000
LGA    F    12_A      F    12_A     0.139     0    0.020   0.052     0.234  100.000  100.000
LGA    S    13_A      S    13_A     0.286     0    0.019   0.615     1.856  100.000   95.476
LGA    A    14_A      A    14_A     0.396     0    0.037   0.051     0.573   97.619   98.095
LGA    N    15_A      N    15_A     0.472     0    0.014   0.034     0.681   97.619   94.048
LGA    C    16_A      C    16_A     0.124     0    0.029   0.085     0.428  100.000  100.000
LGA    A    17_A      A    17_A     0.192     0    0.072   0.073     0.451  100.000  100.000
LGA    A    18_A      A    18_A     0.386     0    0.024   0.027     0.459  100.000  100.000
LGA    C    19_A      C    19_A     0.207     0    0.009   0.036     0.348  100.000  100.000
LGA    H    20_A      H    20_A     0.141     0    0.021   0.143     0.628  100.000   98.095
LGA    L    21_A      L    21_A     0.240     0    0.059   0.137     0.610  100.000   97.619
LGA    G    22_A      G    22_A     0.399     0    0.053   0.053     0.516   97.619   97.619
LGA    G    23_A      G    23_A     0.229     0    0.017   0.017     0.298  100.000  100.000
LGA    R    24_A      R    24_A     0.177     0    0.035   1.388     4.687  100.000   82.121
LGA    N    25_A      N    25_A     0.200     0    0.090   0.139     0.395  100.000  100.000
LGA    V    26_A      V    26_A     0.419     0    0.033   0.039     0.523   97.619   98.639
LGA    V    27_A      V    27_A     0.422     0    0.006   0.026     0.476  100.000  100.000
LGA    N    28_A      N    28_A     0.307     0    0.059   0.098     0.398  100.000  100.000
LGA    P    29_A      P    29_A     0.444     0    0.018   0.339     1.837  100.000   93.401
LGA    A    30_A      A    30_A     0.210     0    0.137   0.133     0.707   97.619   98.095
LGA    K    31_A      K    31_A     0.209     0    0.008   0.757     3.318  100.000   88.307
LGA    T    32_A      T    32_A     0.108     0    0.020   0.098     0.197  100.000  100.000
LGA    L    33_A      L    33_A     0.125     0    0.019   0.089     0.400  100.000  100.000
LGA    Q    34_A      Q    34_A     0.091     0    0.012   0.958     4.158  100.000   84.339
LGA    K    35_A      K    35_A     0.294     0    0.019   0.409     2.425  100.000   91.905
LGA    A    36_A      A    36_A     0.261     0    0.055   0.066     0.404  100.000  100.000
LGA    D    37_A      D    37_A     0.186     0    0.015   0.263     0.780  100.000   98.810
LGA    L    38_A      L    38_A     0.187     0    0.023   0.124     0.283  100.000  100.000
LGA    D    39_A      D    39_A     0.162     0    0.016   0.108     0.350  100.000  100.000
LGA    Q    40_A      Q    40_A     0.321     0    0.047   0.096     0.943   97.619   94.709
LGA    Y    41_A      Y    41_A     0.365     0    0.008   0.091     0.715  100.000   97.619
LGA    G    42_A      G    42_A     0.316     0    0.039   0.039     0.371  100.000  100.000
LGA    M    43_A      M    43_A     0.247     0    0.043   0.966     3.718  100.000   92.917
LGA    A    44_A      A    44_A     0.376     0    0.016   0.017     0.447  100.000  100.000
LGA    S    45_A      S    45_A     0.177     0    0.010   0.056     0.193  100.000  100.000
LGA    I    46_A      I    46_A     0.142     0    0.017   0.076     0.229  100.000  100.000
LGA    E    47_A      E    47_A     0.409     0    0.089   0.217     2.917  100.000   83.439
LGA    A    48_A      A    48_A     0.175     0    0.024   0.024     0.276  100.000  100.000
LGA    I    49_A      I    49_A     0.158     0    0.012   0.032     0.213  100.000  100.000
LGA    T    50_A      T    50_A     0.232     0    0.060   1.143     2.452  100.000   88.571
LGA    T    51_A      T    51_A     0.230     0    0.018   0.040     0.359  100.000  100.000
LGA    Q    52_A      Q    52_A     0.252     0    0.033   0.700     1.914  100.000   92.804
LGA    V    53_A      V    53_A     0.061     0    0.025   0.033     0.085  100.000  100.000
LGA    T    54_A      T    54_A     0.134     0    0.023   0.053     0.224  100.000  100.000
LGA    N    55_A      N    55_A     0.196     0    0.010   0.146     0.685  100.000   98.810
LGA    G    56_A      G    56_A     0.259     0    0.059   0.059     0.317  100.000  100.000
LGA    K    57_A      K    57_A     0.469     0    0.037   0.150     1.400  100.000   91.693
LGA    G    58_A      G    58_A     0.862     0    0.097   0.097     0.862   90.476   90.476
LGA    A    59_A      A    59_A     0.344     0    0.038   0.048     0.522   97.619   98.095
LGA    M    60_A      M    60_A     0.245     0    0.021   0.142     0.428  100.000  100.000
LGA    P    61_A      P    61_A     0.453     0    0.020   0.153     0.607   97.619   95.918
LGA    A    62_A      A    62_A     0.497     0    0.082   0.094     0.821   92.857   92.381
LGA    F    63_A      F    63_A     0.161     0    0.027   0.102     0.488  100.000  100.000
LGA    G    64_A      G    64_A     0.223     0    0.061   0.061     0.484  100.000  100.000
LGA    S    65_A      S    65_A     0.591     0    0.087   0.654     2.845   90.595   85.000
LGA    K    66_A      K    66_A     0.365     0    0.036   0.872     3.191  100.000   89.683
LGA    L    67_A      L    67_A     0.382     0    0.021   0.039     0.456  100.000  100.000
LGA    S    68_A      S    68_A     0.369     0    0.019   0.120     0.421  100.000  100.000
LGA    A    69_A      A    69_A     0.188     0    0.016   0.022     0.272  100.000  100.000
LGA    D    70_A      D    70_A     0.320     0    0.075   0.269     1.777  100.000   91.905
LGA    D    71_A      D    71_A     0.217     0    0.020   0.170     0.618  100.000   98.810
LGA    I    72_A      I    72_A     0.201     0    0.027   0.062     0.343  100.000  100.000
LGA    A    73_A      A    73_A     0.170     0    0.021   0.022     0.205  100.000  100.000
LGA    D    74_A      D    74_A     0.085     0    0.023   0.062     0.462  100.000  100.000
LGA    V    75_A      V    75_A     0.136     0    0.032   0.046     0.285  100.000  100.000
LGA    A    76_A      A    76_A     0.274     0    0.025   0.029     0.356  100.000  100.000
LGA    S    77_A      S    77_A     0.275     0    0.025   0.048     0.501  100.000   98.413
LGA    Y    78_A      Y    78_A     0.174     0    0.017   0.037     0.328  100.000  100.000
LGA    V    79_A      V    79_A     0.170     0    0.016   0.040     0.280  100.000  100.000
LGA    L    80_A      L    80_A     0.112     0    0.033   0.089     0.539  100.000   98.810
LGA    D    81_A      D    81_A     0.128     0    0.024   0.168     1.075  100.000   95.298
LGA    Q    82_A      Q    82_A     0.245     0    0.028   0.184     0.673  100.000   98.942
LGA    S    83_A      S    83_A     0.035     0    0.018   0.497     1.931  100.000   95.476
LGA    E    84_A      E    84_A     0.620     0    0.014   0.871     4.638   92.857   76.772
LGA    K    85_A      K    85_A     0.972     0    0.151   0.181     1.707   83.810   87.513
LGA    G    86_A      G    86_A     0.883     0    0.479   0.479     3.121   78.095   78.095
LGA    W    87_A      W    87_A     0.483     0    0.536   0.395     1.828   88.452   96.701
LGA    Q    88_A      Q    88_A     3.123     0    0.495   0.801     7.282   40.833   32.487
LGA    G    89_A      G    89_A     6.070     0    0.689   0.689     6.771   18.810   18.810

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       88     352    352  100.00     632    632  100.00                89
SUMMARY(RMSD_GDC):     0.927          1.011                  1.205           95.186   92.796

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   88   89    4.0     87    0.68    96.910    97.713    11.153

LGA_LOCAL      RMSD:   0.680  Number of atoms:   87  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.936  Number of assigned atoms:   88 
Std_ASGN_ATOMS RMSD:   0.927  Standard rmsd on all 88 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.715735 * X  +  -0.616896 * Y  +  -0.327357 * Z  +  -3.206368
  Y_new =   0.697944 * X  +  -0.615452 * Y  +  -0.366186 * Z  + -11.916317
  Z_new =   0.024426 * X  +  -0.490569 * Y  +   0.871060 * Z  +   6.143400 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.368779 -0.024429 -0.512911   [DEG:  135.7210   -1.3997  -29.3876 ]
ZXZ: -0.729469  0.513440  3.091842   [DEG:  -41.7955   29.4180  177.1495 ]
 
# END of job
