
#######################################################
#                                                     #
#                        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        0.90     0.90
  LCS_AVERAGE:     98.88

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    88       2_A - 89_A        0.90     0.90
  LCS_AVERAGE:     98.88

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    88       2_A - 89_A        0.90     0.90
  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    6   41   83   87   88   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     A     3_A     A     3_A     88   88   88     19   85   85   85   86   86   87   88   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     D     4_A     D     4_A     88   88   88     77   85   85   85   86   86   87   88   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     L     5_A     L     5_A     88   88   88     77   85   85   85   86   86   87   88   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     A     6_A     A     6_A     88   88   88     74   85   85   85   86   86   87   88   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     H     7_A     H     7_A     88   88   88     77   85   85   85   86   86   87   88   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     G     8_A     G     8_A     88   88   88     77   85   85   85   86   86   87   88   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     G     9_A     G     9_A     88   88   88     77   85   85   85   86   86   87   88   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     Q    10_A     Q    10_A     88   88   88     77   85   85   85   86   86   87   88   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     V    11_A     V    11_A     88   88   88     77   85   85   85   86   86   87   88   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     F    12_A     F    12_A     88   88   88     77   85   85   85   86   86   87   88   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     S    13_A     S    13_A     88   88   88     77   85   85   85   86   86   87   88   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     A    14_A     A    14_A     88   88   88     74   85   85   85   86   86   87   88   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     N    15_A     N    15_A     88   88   88     66   85   85   85   86   86   87   88   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     C    16_A     C    16_A     88   88   88     77   85   85   85   86   86   87   88   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     A    17_A     A    17_A     88   88   88     77   85   85   85   86   86   87   88   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     A    18_A     A    18_A     88   88   88     77   85   85   85   86   86   87   88   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     C    19_A     C    19_A     88   88   88     77   85   85   85   86   86   87   88   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     H    20_A     H    20_A     88   88   88     77   85   85   85   86   86   87   88   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     L    21_A     L    21_A     88   88   88     77   85   85   85   86   86   87   88   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     G    22_A     G    22_A     88   88   88     77   85   85   85   86   86   87   88   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     G    23_A     G    23_A     88   88   88     77   85   85   85   86   86   87   88   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     R    24_A     R    24_A     88   88   88     77   85   85   85   86   86   87   88   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     N    25_A     N    25_A     88   88   88     77   85   85   85   86   86   87   88   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     V    26_A     V    26_A     88   88   88     77   85   85   85   86   86   87   88   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     V    27_A     V    27_A     88   88   88     77   85   85   85   86   86   87   88   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     N    28_A     N    28_A     88   88   88     77   85   85   85   86   86   87   88   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     P    29_A     P    29_A     88   88   88     77   85   85   85   86   86   87   88   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     A    30_A     A    30_A     88   88   88     77   85   85   85   86   86   87   88   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     K    31_A     K    31_A     88   88   88     77   85   85   85   86   86   87   88   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     T    32_A     T    32_A     88   88   88     77   85   85   85   86   86   87   88   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     L    33_A     L    33_A     88   88   88     77   85   85   85   86   86   87   88   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     Q    34_A     Q    34_A     88   88   88     77   85   85   85   86   86   87   88   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     K    35_A     K    35_A     88   88   88     77   85   85   85   86   86   87   88   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     A    36_A     A    36_A     88   88   88     77   85   85   85   86   86   87   88   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     D    37_A     D    37_A     88   88   88     77   85   85   85   86   86   87   88   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     L    38_A     L    38_A     88   88   88     77   85   85   85   86   86   87   88   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     D    39_A     D    39_A     88   88   88     77   85   85   85   86   86   87   88   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     Q    40_A     Q    40_A     88   88   88     77   85   85   85   86   86   87   88   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     Y    41_A     Y    41_A     88   88   88     77   85   85   85   86   86   87   88   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     G    42_A     G    42_A     88   88   88     77   85   85   85   86   86   87   88   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     M    43_A     M    43_A     88   88   88     77   85   85   85   86   86   87   88   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     A    44_A     A    44_A     88   88   88     77   85   85   85   86   86   87   88   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     S    45_A     S    45_A     88   88   88     77   85   85   85   86   86   87   88   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     I    46_A     I    46_A     88   88   88     77   85   85   85   86   86   87   88   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     E    47_A     E    47_A     88   88   88     77   85   85   85   86   86   87   88   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     A    48_A     A    48_A     88   88   88     77   85   85   85   86   86   87   88   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     I    49_A     I    49_A     88   88   88     77   85   85   85   86   86   87   88   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     T    50_A     T    50_A     88   88   88     77   85   85   85   86   86   87   88   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     T    51_A     T    51_A     88   88   88     77   85   85   85   86   86   87   88   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     Q    52_A     Q    52_A     88   88   88     77   85   85   85   86   86   87   88   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     V    53_A     V    53_A     88   88   88     77   85   85   85   86   86   87   88   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     T    54_A     T    54_A     88   88   88     77   85   85   85   86   86   87   88   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     N    55_A     N    55_A     88   88   88     77   85   85   85   86   86   87   88   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     G    56_A     G    56_A     88   88   88     77   85   85   85   86   86   87   88   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     K    57_A     K    57_A     88   88   88     77   85   85   85   86   86   87   88   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     G    58_A     G    58_A     88   88   88     68   85   85   85   86   86   87   88   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     A    59_A     A    59_A     88   88   88     77   85   85   85   86   86   87   88   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     M    60_A     M    60_A     88   88   88     77   85   85   85   86   86   87   88   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     P    61_A     P    61_A     88   88   88     77   85   85   85   86   86   87   88   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     A    62_A     A    62_A     88   88   88     77   85   85   85   86   86   87   88   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     F    63_A     F    63_A     88   88   88     77   85   85   85   86   86   87   88   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     G    64_A     G    64_A     88   88   88     77   85   85   85   86   86   87   88   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     S    65_A     S    65_A     88   88   88     77   85   85   85   86   86   87   88   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     K    66_A     K    66_A     88   88   88     77   85   85   85   86   86   87   88   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     L    67_A     L    67_A     88   88   88     77   85   85   85   86   86   87   88   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     S    68_A     S    68_A     88   88   88     77   85   85   85   86   86   87   88   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     A    69_A     A    69_A     88   88   88     77   85   85   85   86   86   87   88   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     D    70_A     D    70_A     88   88   88     77   85   85   85   86   86   87   88   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     D    71_A     D    71_A     88   88   88     77   85   85   85   86   86   87   88   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     I    72_A     I    72_A     88   88   88     77   85   85   85   86   86   87   88   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     A    73_A     A    73_A     88   88   88     77   85   85   85   86   86   87   88   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     D    74_A     D    74_A     88   88   88     77   85   85   85   86   86   87   88   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     V    75_A     V    75_A     88   88   88     77   85   85   85   86   86   87   88   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     A    76_A     A    76_A     88   88   88     77   85   85   85   86   86   87   88   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     S    77_A     S    77_A     88   88   88     77   85   85   85   86   86   87   88   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     Y    78_A     Y    78_A     88   88   88     77   85   85   85   86   86   87   88   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     V    79_A     V    79_A     88   88   88     77   85   85   85   86   86   87   88   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     L    80_A     L    80_A     88   88   88     77   85   85   85   86   86   87   88   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     D    81_A     D    81_A     88   88   88     77   85   85   85   86   86   87   88   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     Q    82_A     Q    82_A     88   88   88     77   85   85   85   86   86   87   88   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     S    83_A     S    83_A     88   88   88     77   85   85   85   86   86   87   88   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     E    84_A     E    84_A     88   88   88     66   85   85   85   86   86   87   88   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     K    85_A     K    85_A     88   88   88     44   85   85   85   86   86   87   88   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     G    86_A     G    86_A     88   88   88     39   85   85   85   86   86   87   88   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     W    87_A     W    87_A     88   88   88     77   85   85   85   86   86   87   88   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   85   86   86   87   88   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    3   23   40   47   57   88   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     77     85     85     85     86     86     87     88     88     88     88     88     88     88     88     88     88     88     88     88 
GDT PERCENT_AT  86.52  95.51  95.51  95.51  96.63  96.63  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  98.88
GDT RMS_LOCAL    0.27   0.34   0.34   0.34   0.48   0.48   0.68   0.90   0.90   0.90   0.90   0.90   0.90   0.90   0.90   0.90   0.90   0.90   0.90   0.90
GDT RMS_ALL_AT   0.91   0.92   0.92   0.92   0.91   0.91   0.90   0.90   0.90   0.90   0.90   0.90   0.90   0.90   0.90   0.90   0.90   0.90   0.90   0.90

# Checking swapping
#   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:  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     4.486     0    0.056   0.065     7.390   37.500   28.333
LGA    A     3_A      A     3_A     0.872     0    0.384   0.398     1.912   88.214   85.143
LGA    D     4_A      D     4_A     0.558     0    0.025   0.111     1.074   95.238   91.726
LGA    L     5_A      L     5_A     0.455     0    0.061   0.100     0.660  100.000   96.429
LGA    A     6_A      A     6_A     0.620     0    0.051   0.061     0.802   92.857   92.381
LGA    H     7_A      H     7_A     0.549     0    0.045   0.139     0.597   92.857   91.429
LGA    G     8_A      G     8_A     0.436     0    0.035   0.035     0.525   97.619   97.619
LGA    G     9_A      G     9_A     0.322     0    0.021   0.021     0.388  100.000  100.000
LGA    Q    10_A      Q    10_A     0.431     0    0.020   0.109     0.544   95.238   96.825
LGA    V    11_A      V    11_A     0.531     0    0.024   0.050     0.725   95.238   93.197
LGA    F    12_A      F    12_A     0.341     0    0.016   0.087     0.414  100.000  100.000
LGA    S    13_A      S    13_A     0.384     0    0.025   0.616     2.050   95.238   90.952
LGA    A    14_A      A    14_A     0.543     0    0.043   0.054     0.756   90.476   92.381
LGA    N    15_A      N    15_A     0.623     0    0.018   0.037     0.807   90.476   90.476
LGA    C    16_A      C    16_A     0.233     0    0.026   0.080     0.513  100.000   98.413
LGA    A    17_A      A    17_A     0.258     0    0.056   0.057     0.462  100.000  100.000
LGA    A    18_A      A    18_A     0.366     0    0.030   0.035     0.399  100.000  100.000
LGA    C    19_A      C    19_A     0.369     0    0.044   0.053     0.423  100.000  100.000
LGA    H    20_A      H    20_A     0.344     0    0.025   0.153     0.681  100.000   98.095
LGA    L    21_A      L    21_A     0.461     0    0.060   0.112     0.527   97.619   98.810
LGA    G    22_A      G    22_A     0.434     0    0.054   0.054     0.569   97.619   97.619
LGA    G    23_A      G    23_A     0.342     0    0.011   0.011     0.380  100.000  100.000
LGA    R    24_A      R    24_A     0.324     0    0.026   1.440     5.469  100.000   79.221
LGA    N    25_A      N    25_A     0.345     0    0.084   0.136     0.428  100.000  100.000
LGA    V    26_A      V    26_A     0.574     0    0.030   0.034     0.648   90.476   91.837
LGA    V    27_A      V    27_A     0.470     0    0.008   0.046     0.644   95.238   97.279
LGA    N    28_A      N    28_A     0.402     0    0.063   0.135     0.456  100.000  100.000
LGA    P    29_A      P    29_A     0.593     0    0.014   0.324     2.026   95.238   88.231
LGA    A    30_A      A    30_A     0.094     0    0.121   0.120     0.785   97.619   98.095
LGA    K    31_A      K    31_A     0.392     0    0.013   0.760     3.073  100.000   88.201
LGA    T    32_A      T    32_A     0.134     0    0.018   0.149     0.353  100.000  100.000
LGA    L    33_A      L    33_A     0.133     0    0.021   0.097     0.360  100.000  100.000
LGA    Q    34_A      Q    34_A     0.088     0    0.017   0.961     4.169  100.000   84.339
LGA    K    35_A      K    35_A     0.262     0    0.027   0.663     2.926  100.000   93.122
LGA    A    36_A      A    36_A     0.265     0    0.053   0.065     0.388  100.000  100.000
LGA    D    37_A      D    37_A     0.202     0    0.014   0.200     0.786  100.000   98.810
LGA    L    38_A      L    38_A     0.200     0    0.022   0.117     0.317  100.000  100.000
LGA    D    39_A      D    39_A     0.257     0    0.045   0.790     3.446  100.000   83.988
LGA    Q    40_A      Q    40_A     0.304     0    0.052   0.197     1.130   97.619   93.704
LGA    Y    41_A      Y    41_A     0.286     0    0.011   0.085     0.445  100.000  100.000
LGA    G    42_A      G    42_A     0.272     0    0.056   0.056     0.272  100.000  100.000
LGA    M    43_A      M    43_A     0.161     0    0.043   0.121     0.408  100.000  100.000
LGA    A    44_A      A    44_A     0.445     0    0.018   0.020     0.566  100.000   98.095
LGA    S    45_A      S    45_A     0.253     0    0.019   0.053     0.293  100.000  100.000
LGA    I    46_A      I    46_A     0.279     0    0.017   0.665     1.853  100.000   95.417
LGA    E    47_A      E    47_A     0.486     0    0.091   0.219     3.051  100.000   81.640
LGA    A    48_A      A    48_A     0.178     0    0.024   0.024     0.298  100.000  100.000
LGA    I    49_A      I    49_A     0.217     0    0.026   0.028     0.265  100.000  100.000
LGA    T    50_A      T    50_A     0.257     0    0.053   1.154     2.408  100.000   88.571
LGA    T    51_A      T    51_A     0.318     0    0.016   0.037     0.422  100.000  100.000
LGA    Q    52_A      Q    52_A     0.149     0    0.025   0.271     0.755  100.000   97.884
LGA    V    53_A      V    53_A     0.120     0    0.023   0.036     0.162  100.000  100.000
LGA    T    54_A      T    54_A     0.209     0    0.028   0.055     0.298  100.000  100.000
LGA    N    55_A      N    55_A     0.288     0    0.021   0.181     0.843  100.000   98.810
LGA    G    56_A      G    56_A     0.249     0    0.044   0.044     0.257  100.000  100.000
LGA    K    57_A      K    57_A     0.179     0    0.080   0.146     0.764  100.000   97.884
LGA    G    58_A      G    58_A     0.627     0    0.100   0.100     0.627   92.857   92.857
LGA    A    59_A      A    59_A     0.310     0    0.034   0.043     0.407  100.000  100.000
LGA    M    60_A      M    60_A     0.296     0    0.016   0.178     0.551  100.000   98.810
LGA    P    61_A      P    61_A     0.355     0    0.017   0.126     0.593  100.000   97.279
LGA    A    62_A      A    62_A     0.454     0    0.070   0.080     0.798   95.238   96.190
LGA    F    63_A      F    63_A     0.151     0    0.026   0.086     0.469  100.000  100.000
LGA    G    64_A      G    64_A     0.311     0    0.071   0.071     0.525   97.619   97.619
LGA    S    65_A      S    65_A     0.416     0    0.089   0.652     2.660   92.976   86.587
LGA    K    66_A      K    66_A     0.179     0    0.048   0.931     3.462  100.000   89.683
LGA    L    67_A      L    67_A     0.209     0    0.019   0.036     0.328  100.000  100.000
LGA    S    68_A      S    68_A     0.286     0    0.015   0.166     0.736  100.000   98.413
LGA    A    69_A      A    69_A     0.247     0    0.015   0.019     0.293  100.000  100.000
LGA    D    70_A      D    70_A     0.262     0    0.098   0.254     1.515  100.000   94.226
LGA    D    71_A      D    71_A     0.176     0    0.020   0.141     0.769  100.000   96.429
LGA    I    72_A      I    72_A     0.205     0    0.020   0.063     0.364  100.000  100.000
LGA    A    73_A      A    73_A     0.101     0    0.018   0.024     0.135  100.000  100.000
LGA    D    74_A      D    74_A     0.112     0    0.032   0.102     0.447  100.000  100.000
LGA    V    75_A      V    75_A     0.250     0    0.036   0.042     0.363  100.000  100.000
LGA    A    76_A      A    76_A     0.374     0    0.029   0.032     0.480  100.000  100.000
LGA    S    77_A      S    77_A     0.388     0    0.023   0.048     0.535  100.000   98.413
LGA    Y    78_A      Y    78_A     0.208     0    0.022   0.046     0.431  100.000  100.000
LGA    V    79_A      V    79_A     0.244     0    0.009   0.033     0.383  100.000  100.000
LGA    L    80_A      L    80_A     0.212     0    0.033   0.073     0.557  100.000   98.810
LGA    D    81_A      D    81_A     0.213     0    0.022   0.172     1.182  100.000   94.167
LGA    Q    82_A      Q    82_A     0.354     0    0.030   0.181     0.678   97.619   97.884
LGA    S    83_A      S    83_A     0.073     0    0.019   0.492     1.848  100.000   95.476
LGA    E    84_A      E    84_A     0.713     0    0.018   0.858     4.605   92.857   76.772
LGA    K    85_A      K    85_A     1.125     0    0.116   0.174     1.719   81.548   84.497
LGA    G    86_A      G    86_A     0.944     0    0.475   0.475     3.257   78.095   78.095
LGA    W    87_A      W    87_A     0.277     0    0.545   0.407     1.762   90.833   95.340
LGA    Q    88_A      Q    88_A     2.947     0    0.336   0.997     6.926   45.119   35.979
LGA    G    89_A      G    89_A     5.383     0    0.712   0.712     5.927   26.548   26.548

# 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):     0.896          0.971                  1.192           94.761   92.416

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   88   89    4.0     88    0.90    97.191    97.773     8.837

LGA_LOCAL      RMSD:   0.896  Number of atoms:   88  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.896  Number of assigned atoms:   88 
Std_ASGN_ATOMS RMSD:   0.896  Standard rmsd on all 88 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.297303 * X  +   0.034519 * Y  +   0.954159 * Z  +  -0.754561
  Y_new =   0.920052 * X  +  -0.256727 * Y  +   0.295964 * Z  + -13.800646
  Z_new =   0.255175 * X  +   0.965867 * Y  +   0.044567 * Z  +   4.996812 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.883343 -0.258029  1.524687   [DEG:  107.9076  -14.7839   87.3581 ]
ZXZ:  1.871569  1.526214  0.258291   [DEG:  107.2330   87.4456   14.7990 ]
 
# END of job
