
#######################################################
#                                                     #
#                        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        0.74     0.74
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    89       1_A - 89_A        0.74     0.74
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    89       1_A - 89_A        0.74     0.74
  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   13   35   73   88   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      3    4    4    9   58   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     15   85   87   87   88   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     64   85   87   87   88   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     64   85   87   87   88   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     64   85   87   87   88   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     64   85   87   87   88   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     64   85   87   87   88   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     64   85   87   87   88   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     64   85   87   87   88   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     64   85   87   87   88   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     64   85   87   87   88   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     64   85   87   87   88   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     64   85   87   87   88   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     64   85   87   87   88   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     64   85   87   87   88   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     63   85   87   87   88   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     60   85   87   87   88   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     53   85   87   87   88   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     64   85   87   87   88   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     48   85   87   87   88   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     64   85   87   87   88   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     60   85   87   87   88   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     64   85   87   87   88   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     64   85   87   87   88   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     64   85   87   87   88   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     61   85   87   87   88   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     61   85   87   87   88   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     61   85   87   87   88   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     61   85   87   87   88   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     64   85   87   87   88   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     64   85   87   87   88   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     64   85   87   87   88   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     64   85   87   87   88   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     63   85   87   87   88   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     64   85   87   87   88   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     64   85   87   87   88   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     64   85   87   87   88   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     57   85   87   87   88   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     58   85   87   87   88   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     31   85   87   87   88   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     31   85   87   87   88   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     64   85   87   87   88   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     64   85   87   87   88   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     64   85   87   87   88   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     64   85   87   87   88   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     64   85   87   87   88   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     64   85   87   87   88   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     64   85   87   87   88   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     64   85   87   87   88   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     64   85   87   87   88   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     64   85   87   87   88   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     64   85   87   87   88   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     64   85   87   87   88   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     64   85   87   87   88   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     63   85   87   87   88   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     53   85   87   87   88   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     19   76   87   87   88   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     63   85   87   87   88   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     64   85   87   87   88   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     64   85   87   87   88   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     64   85   87   87   88   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     64   85   87   87   88   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     64   85   87   87   88   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     50   85   87   87   88   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     64   85   87   87   88   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     63   85   87   87   88   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     64   85   87   87   88   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     64   85   87   87   88   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     64   85   87   87   88   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     64   85   87   87   88   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     64   85   87   87   88   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     64   85   87   87   88   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     64   85   87   87   88   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     64   85   87   87   88   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     64   85   87   87   88   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     64   85   87   87   88   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     64   85   87   87   88   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     64   85   87   87   88   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     64   85   87   87   88   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     64   85   87   87   88   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     64   85   87   87   88   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     64   85   87   87   88   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     64   85   87   87   88   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     64   85   87   87   88   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     64   85   87   87   88   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     64   85   87   87   88   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     41   85   87   87   88   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      2   47   87   87   88   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     64     85     87     87     88     89     89     89     89     89     89     89     89     89     89     89     89     89     89     89 
GDT PERCENT_AT  71.91  95.51  97.75  97.75  98.88 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.28   0.43   0.47   0.47   0.59   0.74   0.74   0.74   0.74   0.74   0.74   0.74   0.74   0.74   0.74   0.74   0.74   0.74   0.74   0.74
GDT RMS_ALL_AT   0.76   0.76   0.76   0.76   0.75   0.74   0.74   0.74   0.74   0.74   0.74   0.74   0.74   0.74   0.74   0.74   0.74   0.74   0.74   0.74

# 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     3.242     0    0.139   0.139     3.242   53.571   53.571
LGA    S     2_A      S     2_A     4.199     0    0.107   0.583     6.057   47.143   38.651
LGA    A     3_A      A     3_A     1.077     0    0.464   0.491     1.862   81.548   79.810
LGA    D     4_A      D     4_A     0.362     0    0.065   0.077     0.791   97.619   95.238
LGA    L     5_A      L     5_A     0.343     0    0.051   0.055     0.402  100.000  100.000
LGA    A     6_A      A     6_A     0.454     0    0.038   0.042     0.687  100.000   98.095
LGA    H     7_A      H     7_A     0.375     0    0.050   1.139     2.398  100.000   90.095
LGA    G     8_A      G     8_A     0.401     0    0.020   0.020     0.430  100.000  100.000
LGA    G     9_A      G     9_A     0.278     0    0.036   0.036     0.303  100.000  100.000
LGA    Q    10_A      Q    10_A     0.393     0    0.011   0.356     1.181   95.238   94.762
LGA    V    11_A      V    11_A     0.603     0    0.014   0.040     0.890   92.857   91.837
LGA    F    12_A      F    12_A     0.279     0    0.033   0.051     0.473  100.000  100.000
LGA    S    13_A      S    13_A     0.335     0    0.007   0.046     0.497  100.000  100.000
LGA    A    14_A      A    14_A     0.415     0    0.063   0.073     0.638   97.619   98.095
LGA    N    15_A      N    15_A     0.300     0    0.041   0.057     0.897  100.000   95.238
LGA    C    16_A      C    16_A     0.421     0    0.042   0.128     0.918   97.619   95.238
LGA    A    17_A      A    17_A     0.524     0    0.028   0.025     0.678   90.476   90.476
LGA    A    18_A      A    18_A     0.585     0    0.017   0.017     0.879   90.476   90.476
LGA    C    19_A      C    19_A     0.763     0    0.051   0.072     0.982   90.476   90.476
LGA    H    20_A      H    20_A     0.464     0    0.301   1.141     2.388   90.595   86.286
LGA    L    21_A      L    21_A     0.739     0    0.059   0.176     1.278   95.238   89.464
LGA    G    22_A      G    22_A     0.283     0    0.074   0.074     0.389  100.000  100.000
LGA    G    23_A      G    23_A     0.582     0    0.069   0.069     0.984   92.857   92.857
LGA    R    24_A      R    24_A     0.458     0    0.228   1.191     7.494   86.548   62.641
LGA    N    25_A      N    25_A     0.245     0    0.057   0.107     0.752   97.619   97.619
LGA    V    26_A      V    26_A     0.380     0    0.122   0.144     1.236   92.976   91.905
LGA    V    27_A      V    27_A     0.552     0    0.042   0.046     0.810   92.857   93.197
LGA    N    28_A      N    28_A     0.671     0    0.059   0.152     1.242   90.476   89.345
LGA    P    29_A      P    29_A     0.597     0    0.014   0.026     0.635   90.476   90.476
LGA    A    30_A      A    30_A     0.625     0    0.039   0.040     0.747   90.476   90.476
LGA    K    31_A      K    31_A     0.404     0    0.095   0.097     0.741   97.619   94.709
LGA    T    32_A      T    32_A     0.208     0    0.016   0.036     0.230  100.000  100.000
LGA    L    33_A      L    33_A     0.162     0    0.022   0.163     0.675  100.000   98.810
LGA    Q    34_A      Q    34_A     0.371     0    0.037   0.738     2.306  100.000   90.952
LGA    K    35_A      K    35_A     0.612     0    0.021   0.552     3.557   95.238   77.354
LGA    A    36_A      A    36_A     0.421     0    0.026   0.027     0.500   97.619   98.095
LGA    D    37_A      D    37_A     0.207     0    0.028   0.122     0.481  100.000  100.000
LGA    L    38_A      L    38_A     0.200     0    0.018   0.124     0.523  100.000   98.810
LGA    D    39_A      D    39_A     0.706     0    0.021   0.050     1.132   92.857   90.536
LGA    Q    40_A      Q    40_A     0.739     0    0.051   1.147     4.757   88.214   78.095
LGA    Y    41_A      Y    41_A     0.891     0    0.014   0.067     1.255   88.214   86.706
LGA    G    42_A      G    42_A     1.006     0    0.056   0.056     1.006   88.214   88.214
LGA    M    43_A      M    43_A     0.481     0    0.056   0.901     2.346   97.619   90.833
LGA    A    44_A      A    44_A     0.276     0    0.269   0.257     1.044   95.357   94.381
LGA    S    45_A      S    45_A     0.243     0    0.019   0.040     0.442  100.000  100.000
LGA    I    46_A      I    46_A     0.088     0    0.036   0.067     0.488  100.000  100.000
LGA    E    47_A      E    47_A     0.272     0    0.040   0.952     4.144  100.000   78.519
LGA    A    48_A      A    48_A     0.225     0    0.016   0.021     0.314  100.000  100.000
LGA    I    49_A      I    49_A     0.199     0    0.011   0.062     0.245  100.000  100.000
LGA    T    50_A      T    50_A     0.201     0    0.040   1.095     2.330  100.000   91.088
LGA    T    51_A      T    51_A     0.134     0    0.020   0.053     0.315  100.000  100.000
LGA    Q    52_A      Q    52_A     0.416     0    0.045   0.801     3.791  100.000   86.508
LGA    V    53_A      V    53_A     0.170     0    0.023   0.027     0.222  100.000  100.000
LGA    T    54_A      T    54_A     0.158     0    0.025   0.070     0.224  100.000  100.000
LGA    N    55_A      N    55_A     0.215     0    0.043   0.097     0.365  100.000  100.000
LGA    G    56_A      G    56_A     0.535     0    0.007   0.007     0.567   92.857   92.857
LGA    K    57_A      K    57_A     0.825     0    0.031   0.113     1.480   90.476   86.455
LGA    G    58_A      G    58_A     1.235     0    0.022   0.022     1.235   81.429   81.429
LGA    A    59_A      A    59_A     0.721     0    0.024   0.024     0.916   92.857   92.381
LGA    M    60_A      M    60_A     0.375     0    0.010   0.169     0.624  100.000   98.810
LGA    P    61_A      P    61_A     0.298     0    0.031   0.157     0.432  100.000  100.000
LGA    A    62_A      A    62_A     0.228     0    0.027   0.029     0.293  100.000  100.000
LGA    F    63_A      F    63_A     0.366     0    0.024   0.098     0.597  100.000   97.403
LGA    G    64_A      G    64_A     0.382     0    0.030   0.030     0.781   95.238   95.238
LGA    S    65_A      S    65_A     0.861     0    0.085   0.673     3.308   88.214   82.222
LGA    K    66_A      K    66_A     0.615     0    0.096   0.801     2.220   95.238   86.878
LGA    L    67_A      L    67_A     0.589     0    0.017   0.028     0.705   90.476   90.476
LGA    S    68_A      S    68_A     0.550     0    0.035   0.046     0.657   95.238   93.651
LGA    A    69_A      A    69_A     0.162     0    0.017   0.020     0.302  100.000  100.000
LGA    D    70_A      D    70_A     0.460     0    0.032   0.152     1.473  100.000   94.107
LGA    D    71_A      D    71_A     0.216     0    0.026   0.261     0.671  100.000   98.810
LGA    I    72_A      I    72_A     0.184     0    0.016   0.057     0.324  100.000  100.000
LGA    A    73_A      A    73_A     0.182     0    0.015   0.028     0.190  100.000  100.000
LGA    D    74_A      D    74_A     0.184     0    0.008   0.044     0.189  100.000  100.000
LGA    V    75_A      V    75_A     0.204     0    0.049   0.884     1.971  100.000   92.245
LGA    A    76_A      A    76_A     0.167     0    0.011   0.017     0.223  100.000  100.000
LGA    S    77_A      S    77_A     0.136     0    0.006   0.023     0.224  100.000  100.000
LGA    Y    78_A      Y    78_A     0.165     0    0.041   0.032     0.224  100.000  100.000
LGA    V    79_A      V    79_A     0.125     0    0.027   0.034     0.169  100.000  100.000
LGA    L    80_A      L    80_A     0.165     0    0.008   0.109     0.611  100.000   98.810
LGA    D    81_A      D    81_A     0.143     0    0.006   0.130     0.346  100.000  100.000
LGA    Q    82_A      Q    82_A     0.119     0    0.018   0.080     0.296  100.000  100.000
LGA    S    83_A      S    83_A     0.212     0    0.004   0.653     2.140  100.000   94.127
LGA    E    84_A      E    84_A     0.269     0    0.014   0.874     4.238  100.000   83.492
LGA    K    85_A      K    85_A     0.154     0    0.023   0.436     1.276  100.000   96.878
LGA    G    86_A      G    86_A     0.313     0    0.018   0.018     0.315  100.000  100.000
LGA    W    87_A      W    87_A     0.461     0    0.100   0.139     1.361   92.976   95.952
LGA    Q    88_A      Q    88_A     0.936     0    0.543   0.871     4.309   82.143   66.296
LGA    G    89_A      G    89_A     1.305     0    0.449   0.449     4.182   62.500   62.500

# 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):     0.744          0.779                  1.106           95.004   92.258

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   89   89    4.0     89    0.74    98.315    99.246    10.546

LGA_LOCAL      RMSD:   0.744  Number of atoms:   89  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.744  Number of assigned atoms:   89 
Std_ASGN_ATOMS RMSD:   0.744  Standard rmsd on all 89 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.576773 * X  +  -0.815107 * Y  +   0.054165 * Z  +   4.903353
  Y_new =  -0.007766 * X  +   0.060831 * Y  +   0.998118 * Z  + -24.623440
  Z_new =  -0.816868 * X  +  -0.576108 * Y  +   0.028755 * Z  +  12.720901 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.013464  0.955959 -1.520925   [DEG:   -0.7714   54.7724  -87.1426 ]
ZXZ:  3.087379  1.542037 -2.185047   [DEG:  176.8938   88.3522 -125.1940 ]
 
# END of job
