
#######################################################
#                                                     #
#                        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        0.78     0.78
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    89       1_A - 89_A        0.78     0.78
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    89       1_A - 89_A        0.78     0.78
  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   12   37   74   87   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   10   84   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   86   86   87   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   86   86   87   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   86   86   87   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   86   86   87   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   86   86   87   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   86   86   87   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   86   86   87   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   86   86   87   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   86   86   87   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   86   86   87   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   86   86   87   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   86   86   87   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   86   86   87   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   86   86   87   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     64   85   86   86   87   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     59   85   86   86   87   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     52   85   86   86   87   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   86   86   87   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     61   85   86   86   87   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   86   86   87   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     64   85   86   86   87   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     27   85   86   86   87   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   86   86   87   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   86   86   87   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     64   85   86   86   87   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     59   85   86   86   87   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     59   85   86   86   87   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     58   85   86   86   87   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   86   86   87   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   86   86   87   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   86   86   87   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     63   85   86   86   87   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     29   85   86   86   87   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   86   86   87   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   86   86   87   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   86   86   87   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     58   85   86   86   87   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     34   85   86   86   87   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     27   85   86   86   87   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     27   85   86   86   87   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   86   86   87   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   86   86   87   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   86   86   87   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   86   86   87   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   86   86   87   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   86   86   87   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   86   86   87   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   86   86   87   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   86   86   87   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   86   86   87   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   86   86   87   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   86   86   87   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   86   86   87   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   86   86   87   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   86   86   87   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     20   79   86   86   87   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     53   85   86   86   87   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   86   86   87   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   86   86   87   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   86   86   87   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   86   86   87   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   86   86   87   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     49   85   86   86   87   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   86   86   87   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     64   85   86   86   87   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   86   86   87   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   86   86   87   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   86   86   87   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   86   86   87   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   86   86   87   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   86   86   87   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   86   86   87   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   86   86   87   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   86   86   87   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   86   86   87   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   86   86   87   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   86   86   87   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   86   86   87   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   86   86   87   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   86   86   87   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   86   86   87   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   86   86   87   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   86   86   87   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     47   85   86   86   87   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     47   85   86   86   87   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   86   86   87   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   16   32   84   87   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     86     86     87     89     89     89     89     89     89     89     89     89     89     89     89     89     89     89 
GDT PERCENT_AT  71.91  95.51  96.63  96.63  97.75 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.29   0.44   0.46   0.46   0.53   0.78   0.78   0.78   0.78   0.78   0.78   0.78   0.78   0.78   0.78   0.78   0.78   0.78   0.78   0.78
GDT RMS_ALL_AT   0.80   0.79   0.79   0.79   0.79   0.78   0.78   0.78   0.78   0.78   0.78   0.78   0.78   0.78   0.78   0.78   0.78   0.78   0.78   0.78

# 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     3.223     0    0.140   0.140     3.223   53.571   53.571
LGA    S     2_A      S     2_A     4.215     0    0.108   0.582     6.074   47.143   38.651
LGA    A     3_A      A     3_A     1.039     0    0.463   0.491     1.858   81.548   79.810
LGA    D     4_A      D     4_A     0.333     0    0.065   0.077     0.783   97.619   95.238
LGA    L     5_A      L     5_A     0.338     0    0.051   0.053     0.426  100.000  100.000
LGA    A     6_A      A     6_A     0.444     0    0.038   0.041     0.669  100.000   98.095
LGA    H     7_A      H     7_A     0.362     0    0.049   1.139     2.388  100.000   90.095
LGA    G     8_A      G     8_A     0.406     0    0.020   0.020     0.450  100.000  100.000
LGA    G     9_A      G     9_A     0.305     0    0.037   0.037     0.323  100.000  100.000
LGA    Q    10_A      Q    10_A     0.401     0    0.011   0.355     1.154   95.238   94.762
LGA    V    11_A      V    11_A     0.615     0    0.014   0.041     0.907   92.857   91.837
LGA    F    12_A      F    12_A     0.310     0    0.034   0.050     0.496  100.000  100.000
LGA    S    13_A      S    13_A     0.255     0    0.007   0.046     0.427  100.000  100.000
LGA    A    14_A      A    14_A     0.371     0    0.063   0.073     0.593   97.619   98.095
LGA    N    15_A      N    15_A     0.327     0    0.041   0.058     0.900  100.000   95.238
LGA    C    16_A      C    16_A     0.418     0    0.038   0.126     0.928   97.619   95.238
LGA    A    17_A      A    17_A     0.451     0    0.026   0.024     0.602   97.619   98.095
LGA    A    18_A      A    18_A     0.566     0    0.015   0.015     0.806   92.857   92.381
LGA    C    19_A      C    19_A     0.680     0    0.034   0.056     0.889   90.476   90.476
LGA    H    20_A      H    20_A     0.329     0    0.320   1.149     2.444   92.976   87.238
LGA    L    21_A      L    21_A     0.604     0    0.032   0.179     0.811   90.476   90.476
LGA    G    22_A      G    22_A     0.469     0    0.059   0.059     0.484  100.000  100.000
LGA    G    23_A      G    23_A     0.490     0    0.066   0.066     0.957   95.238   95.238
LGA    R    24_A      R    24_A     0.564     0    0.225   1.102     6.560   84.167   66.017
LGA    N    25_A      N    25_A     0.238     0    0.058   0.110     0.681   97.619   97.619
LGA    V    26_A      V    26_A     0.285     0    0.125   0.147     1.156   92.976   94.626
LGA    V    27_A      V    27_A     0.433     0    0.043   0.048     0.664   95.238   95.918
LGA    N    28_A      N    28_A     0.549     0    0.064   0.159     1.119   97.619   92.917
LGA    P    29_A      P    29_A     0.545     0    0.015   0.028     0.621   90.476   90.476
LGA    A    30_A      A    30_A     0.613     0    0.038   0.038     0.725   90.476   90.476
LGA    K    31_A      K    31_A     0.472     0    0.098   0.102     0.675   97.619   95.767
LGA    T    32_A      T    32_A     0.352     0    0.023   0.031     0.363  100.000  100.000
LGA    L    33_A      L    33_A     0.183     0    0.012   0.189     0.582  100.000   98.810
LGA    Q    34_A      Q    34_A     0.619     0    0.032   1.003     5.307   95.238   75.714
LGA    K    35_A      K    35_A     0.717     0    0.019   0.553     3.585   92.857   75.291
LGA    A    36_A      A    36_A     0.489     0    0.031   0.032     0.591   97.619   96.190
LGA    D    37_A      D    37_A     0.294     0    0.027   0.105     0.605  100.000   98.810
LGA    L    38_A      L    38_A     0.212     0    0.021   0.111     0.642   97.619   96.429
LGA    D    39_A      D    39_A     0.725     0    0.021   0.046     1.230   90.595   88.274
LGA    Q    40_A      Q    40_A     0.744     0    0.051   1.146     4.807   88.214   77.196
LGA    Y    41_A      Y    41_A     0.941     0    0.013   0.067     1.248   85.952   85.952
LGA    G    42_A      G    42_A     1.058     0    0.058   0.058     1.058   88.214   88.214
LGA    M    43_A      M    43_A     0.519     0    0.057   0.908     2.272   95.238   88.512
LGA    A    44_A      A    44_A     0.263     0    0.271   0.258     1.055   95.357   94.381
LGA    S    45_A      S    45_A     0.239     0    0.018   0.040     0.431  100.000  100.000
LGA    I    46_A      I    46_A     0.079     0    0.036   0.070     0.508  100.000   98.810
LGA    E    47_A      E    47_A     0.254     0    0.040   0.952     4.121  100.000   79.577
LGA    A    48_A      A    48_A     0.210     0    0.016   0.023     0.297  100.000  100.000
LGA    I    49_A      I    49_A     0.179     0    0.011   0.062     0.226  100.000  100.000
LGA    T    50_A      T    50_A     0.182     0    0.040   1.096     2.336  100.000   91.088
LGA    T    51_A      T    51_A     0.146     0    0.020   0.053     0.326  100.000  100.000
LGA    Q    52_A      Q    52_A     0.424     0    0.046   0.801     3.847  100.000   85.503
LGA    V    53_A      V    53_A     0.176     0    0.023   0.027     0.227  100.000  100.000
LGA    T    54_A      T    54_A     0.163     0    0.026   0.070     0.231  100.000  100.000
LGA    N    55_A      N    55_A     0.214     0    0.042   0.097     0.371  100.000  100.000
LGA    G    56_A      G    56_A     0.518     0    0.008   0.008     0.549   92.857   92.857
LGA    K    57_A      K    57_A     0.813     0    0.030   0.111     1.498   90.476   86.455
LGA    G    58_A      G    58_A     1.219     0    0.022   0.022     1.219   81.429   81.429
LGA    A    59_A      A    59_A     0.714     0    0.024   0.024     0.903   92.857   92.381
LGA    M    60_A      M    60_A     0.365     0    0.009   0.164     0.642  100.000   98.810
LGA    P    61_A      P    61_A     0.287     0    0.030   0.156     0.429  100.000  100.000
LGA    A    62_A      A    62_A     0.215     0    0.026   0.029     0.279  100.000  100.000
LGA    F    63_A      F    63_A     0.365     0    0.024   0.099     0.577  100.000   97.403
LGA    G    64_A      G    64_A     0.389     0    0.031   0.031     0.776   95.238   95.238
LGA    S    65_A      S    65_A     0.843     0    0.085   0.672     3.293   88.214   82.222
LGA    K    66_A      K    66_A     0.593     0    0.095   0.803     2.211   95.238   86.878
LGA    L    67_A      L    67_A     0.561     0    0.017   0.028     0.679   90.476   90.476
LGA    S    68_A      S    68_A     0.525     0    0.035   0.045     0.635   97.619   95.238
LGA    A    69_A      A    69_A     0.157     0    0.018   0.022     0.286  100.000  100.000
LGA    D    70_A      D    70_A     0.449     0    0.032   0.152     1.445  100.000   94.107
LGA    D    71_A      D    71_A     0.209     0    0.026   0.260     0.649  100.000   98.810
LGA    I    72_A      I    72_A     0.188     0    0.017   0.058     0.306  100.000  100.000
LGA    A    73_A      A    73_A     0.181     0    0.015   0.028     0.190  100.000  100.000
LGA    D    74_A      D    74_A     0.185     0    0.008   0.045     0.189  100.000  100.000
LGA    V    75_A      V    75_A     0.214     0    0.049   0.885     1.996  100.000   92.245
LGA    A    76_A      A    76_A     0.176     0    0.009   0.017     0.218  100.000  100.000
LGA    S    77_A      S    77_A     0.146     0    0.008   0.025     0.232  100.000  100.000
LGA    Y    78_A      Y    78_A     0.176     0    0.040   0.038     0.231  100.000  100.000
LGA    V    79_A      V    79_A     0.158     0    0.019   0.037     0.229  100.000  100.000
LGA    L    80_A      L    80_A     0.188     0    0.008   0.103     0.616  100.000   98.810
LGA    D    81_A      D    81_A     0.146     0    0.004   0.060     0.146  100.000  100.000
LGA    Q    82_A      Q    82_A     0.137     0    0.017   0.110     0.505  100.000   98.942
LGA    S    83_A      S    83_A     0.159     0    0.008   0.033     0.245  100.000  100.000
LGA    E    84_A      E    84_A     0.129     0    0.012   0.884     4.180  100.000   84.339
LGA    K    85_A      K    85_A     0.244     0    0.019   0.505     1.612  100.000   94.868
LGA    G    86_A      G    86_A     0.644     0    0.017   0.017     0.752   92.857   92.857
LGA    W    87_A      W    87_A     0.761     0    0.107   0.177     1.856   83.810   89.932
LGA    Q    88_A      Q    88_A     0.920     0    0.639   0.857     4.477   86.429   66.667
LGA    G    89_A      G    89_A     2.483     0    0.435   0.435     4.944   48.095   48.095

# 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):     0.780          0.820                  1.130           94.737   91.979

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   89   89    4.0     89    0.78    98.034    99.009    10.114

LGA_LOCAL      RMSD:   0.780  Number of atoms:   89  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.780  Number of assigned atoms:   89 
Std_ASGN_ATOMS RMSD:   0.780  Standard rmsd on all 89 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.932737 * X  +  -0.092103 * Y  +   0.348596 * Z  +   6.724524
  Y_new =  -0.335499 * X  +  -0.132433 * Y  +  -0.932685 * Z  + -25.626278
  Z_new =   0.132069 * X  +  -0.986904 * Y  +   0.092624 * Z  +  11.767429 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.796309 -0.132455 -1.477217   [DEG: -160.2167   -7.5891  -84.6383 ]
ZXZ:  0.357679  1.478039  3.008562   [DEG:   20.4935   84.6854  172.3779 ]
 
# END of job
