
#######################################################
#                                                     #
#                        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        0.83     0.83
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    89       1_A - 89_A        0.83     0.83
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    89       1_A - 89_A        0.83     0.83
  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    3    5   12   53   88   88   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    3    5    6    6   88   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A     3_A     A     3_A     89   89   89     53   84   87   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     D     4_A     D     4_A     89   89   89     75   84   87   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     L     5_A     L     5_A     89   89   89     75   84   87   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A     6_A     A     6_A     89   89   89     63   84   87   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     H     7_A     H     7_A     89   89   89     75   84   87   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G     8_A     G     8_A     89   89   89     75   84   87   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G     9_A     G     9_A     89   89   89     75   84   87   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Q    10_A     Q    10_A     89   89   89     75   84   87   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     V    11_A     V    11_A     89   89   89     75   84   87   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     F    12_A     F    12_A     89   89   89     75   84   87   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     S    13_A     S    13_A     89   89   89     75   84   87   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    14_A     A    14_A     89   89   89     75   84   87   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     N    15_A     N    15_A     89   89   89     75   84   87   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     C    16_A     C    16_A     89   89   89     75   84   87   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    17_A     A    17_A     89   89   89     75   84   87   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    18_A     A    18_A     89   89   89     75   84   87   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     C    19_A     C    19_A     89   89   89     75   84   87   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     H    20_A     H    20_A     89   89   89     75   84   87   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     L    21_A     L    21_A     89   89   89     75   84   87   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    22_A     G    22_A     89   89   89     75   84   87   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    23_A     G    23_A     89   89   89     75   84   87   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     R    24_A     R    24_A     89   89   89     75   84   87   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     N    25_A     N    25_A     89   89   89     75   84   87   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     V    26_A     V    26_A     89   89   89     75   84   87   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     V    27_A     V    27_A     89   89   89     75   84   87   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     N    28_A     N    28_A     89   89   89     75   84   87   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     P    29_A     P    29_A     89   89   89     75   84   87   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    30_A     A    30_A     89   89   89     75   84   87   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     K    31_A     K    31_A     89   89   89     75   84   87   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     T    32_A     T    32_A     89   89   89     75   84   87   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     L    33_A     L    33_A     89   89   89     75   84   87   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Q    34_A     Q    34_A     89   89   89     75   84   87   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     K    35_A     K    35_A     89   89   89     75   84   87   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    36_A     A    36_A     89   89   89     75   84   87   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     D    37_A     D    37_A     89   89   89     75   84   87   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     L    38_A     L    38_A     89   89   89     75   84   87   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     D    39_A     D    39_A     89   89   89     75   84   87   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Q    40_A     Q    40_A     89   89   89     75   84   87   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Y    41_A     Y    41_A     89   89   89     75   84   87   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    42_A     G    42_A     89   89   89     75   84   87   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     M    43_A     M    43_A     89   89   89     75   84   87   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    44_A     A    44_A     89   89   89     75   84   87   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     S    45_A     S    45_A     89   89   89     75   84   87   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     I    46_A     I    46_A     89   89   89     75   84   87   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     E    47_A     E    47_A     89   89   89     75   84   87   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    48_A     A    48_A     89   89   89     75   84   87   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     I    49_A     I    49_A     89   89   89     75   84   87   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     T    50_A     T    50_A     89   89   89     75   84   87   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     T    51_A     T    51_A     89   89   89     75   84   87   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Q    52_A     Q    52_A     89   89   89     75   84   87   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     V    53_A     V    53_A     89   89   89     75   84   87   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     T    54_A     T    54_A     89   89   89     75   84   87   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     N    55_A     N    55_A     89   89   89     75   84   87   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    56_A     G    56_A     89   89   89     75   84   87   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     K    57_A     K    57_A     89   89   89     37   84   87   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    58_A     G    58_A     89   89   89     30   76   87   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    59_A     A    59_A     89   89   89     17   84   87   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     M    60_A     M    60_A     89   89   89     44   84   87   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     P    61_A     P    61_A     89   89   89     44   84   87   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    62_A     A    62_A     89   89   89     59   84   87   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     F    63_A     F    63_A     89   89   89     75   84   87   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    64_A     G    64_A     89   89   89     75   84   87   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     S    65_A     S    65_A     89   89   89     75   84   87   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     K    66_A     K    66_A     89   89   89     75   84   87   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     L    67_A     L    67_A     89   89   89     75   84   87   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     S    68_A     S    68_A     89   89   89     75   84   87   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    69_A     A    69_A     89   89   89     75   84   87   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     D    70_A     D    70_A     89   89   89     75   84   87   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     D    71_A     D    71_A     89   89   89     75   84   87   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     I    72_A     I    72_A     89   89   89     75   84   87   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    73_A     A    73_A     89   89   89     75   84   87   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     D    74_A     D    74_A     89   89   89     75   84   87   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     V    75_A     V    75_A     89   89   89     75   84   87   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    76_A     A    76_A     89   89   89     75   84   87   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     S    77_A     S    77_A     89   89   89     75   84   87   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Y    78_A     Y    78_A     89   89   89     75   84   87   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     V    79_A     V    79_A     89   89   89     75   84   87   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     L    80_A     L    80_A     89   89   89     75   84   87   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     D    81_A     D    81_A     89   89   89     75   84   87   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Q    82_A     Q    82_A     89   89   89     75   84   87   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     S    83_A     S    83_A     89   89   89     75   84   87   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     E    84_A     E    84_A     89   89   89     75   84   87   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     K    85_A     K    85_A     89   89   89     41   84   87   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    86_A     G    86_A     89   89   89     46   84   87   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     W    87_A     W    87_A     89   89   89     75   84   87   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Q    88_A     Q    88_A     89   89   89      4   69   87   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    89_A     G    89_A     89   89   89      3   69   87   87   87   88   88   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     75     84     87     87     87     88     88     89     89     89     89     89     89     89     89     89     89     89     89     89 
GDT PERCENT_AT  84.27  94.38  97.75  97.75  97.75  98.88  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
GDT RMS_LOCAL    0.28   0.39   0.50   0.50   0.50   0.66   0.66   0.83   0.83   0.83   0.83   0.83   0.83   0.83   0.83   0.83   0.83   0.83   0.83   0.83
GDT RMS_ALL_AT   0.85   0.84   0.84   0.84   0.84   0.83   0.83   0.83   0.83   0.83   0.83   0.83   0.83   0.83   0.83   0.83   0.83   0.83   0.83   0.83

# 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    G     1_A      G     1_A     4.651     0    0.086   0.086     4.651   46.429   46.429
LGA    S     2_A      S     2_A     3.988     0    0.028   0.688     6.563   43.690   34.206
LGA    A     3_A      A     3_A     0.808     0    0.382   0.396     1.732   88.214   85.143
LGA    D     4_A      D     4_A     0.301     0    0.035   0.077     0.670   97.619   97.619
LGA    L     5_A      L     5_A     0.313     0    0.078   0.073     0.491  100.000  100.000
LGA    A     6_A      A     6_A     0.652     0    0.053   0.062     0.920   92.857   92.381
LGA    H     7_A      H     7_A     0.505     0    0.055   0.096     0.549   95.238   93.333
LGA    G     8_A      G     8_A     0.303     0    0.020   0.020     0.421  100.000  100.000
LGA    G     9_A      G     9_A     0.247     0    0.034   0.034     0.268  100.000  100.000
LGA    Q    10_A      Q    10_A     0.292     0    0.035   0.187     0.733  100.000   98.942
LGA    V    11_A      V    11_A     0.302     0    0.033   0.036     0.394  100.000  100.000
LGA    F    12_A      F    12_A     0.184     0    0.018   0.069     0.307  100.000  100.000
LGA    S    13_A      S    13_A     0.086     0    0.022   0.653     1.925  100.000   95.476
LGA    A    14_A      A    14_A     0.222     0    0.039   0.062     0.456  100.000  100.000
LGA    N    15_A      N    15_A     0.359     0    0.041   0.069     0.556   97.619   97.619
LGA    C    16_A      C    16_A     0.131     0    0.044   0.104     0.537  100.000   98.413
LGA    A    17_A      A    17_A     0.141     0    0.082   0.092     0.516   97.619   98.095
LGA    A    18_A      A    18_A     0.376     0    0.022   0.029     0.438  100.000  100.000
LGA    C    19_A      C    19_A     0.246     0    0.026   0.054     0.354  100.000  100.000
LGA    H    20_A      H    20_A     0.089     0    0.063   0.137     0.643  100.000   98.095
LGA    L    21_A      L    21_A     0.244     0    0.027   0.130     0.691  100.000   97.619
LGA    G    22_A      G    22_A     0.394     0    0.091   0.091     0.653   97.619   97.619
LGA    G    23_A      G    23_A     0.316     0    0.017   0.017     0.374  100.000  100.000
LGA    R    24_A      R    24_A     0.283     0    0.034   1.491     5.187  100.000   80.390
LGA    N    25_A      N    25_A     0.287     0    0.031   0.058     0.322  100.000  100.000
LGA    V    26_A      V    26_A     0.505     0    0.028   0.031     0.627   92.857   93.197
LGA    V    27_A      V    27_A     0.562     0    0.013   0.053     0.680   92.857   91.837
LGA    N    28_A      N    28_A     0.372     0    0.022   0.064     0.551  100.000   98.810
LGA    P    29_A      P    29_A     0.533     0    0.035   0.038     0.798   95.238   93.197
LGA    A    30_A      A    30_A     0.407     0    0.053   0.049     0.622  100.000   98.095
LGA    K    31_A      K    31_A     0.333     0    0.053   0.360     1.713  100.000   96.984
LGA    T    32_A      T    32_A     0.260     0    0.021   0.083     0.271  100.000  100.000
LGA    L    33_A      L    33_A     0.073     0    0.017   0.095     0.320  100.000  100.000
LGA    Q    34_A      Q    34_A     0.051     0    0.031   0.946     4.184  100.000   84.339
LGA    K    35_A      K    35_A     0.131     0    0.033   0.699     3.085  100.000   92.328
LGA    A    36_A      A    36_A     0.303     0    0.035   0.045     0.441  100.000  100.000
LGA    D    37_A      D    37_A     0.368     0    0.010   0.136     0.756  100.000   98.810
LGA    L    38_A      L    38_A     0.312     0    0.031   0.078     0.342  100.000  100.000
LGA    D    39_A      D    39_A     0.332     0    0.035   0.096     0.400  100.000  100.000
LGA    Q    40_A      Q    40_A     0.485     0    0.044   0.077     1.132   95.238   91.587
LGA    Y    41_A      Y    41_A     0.420     0    0.036   0.087     0.493  100.000  100.000
LGA    G    42_A      G    42_A     0.458     0    0.023   0.023     0.472  100.000  100.000
LGA    M    43_A      M    43_A     0.359     0    0.071   0.113     0.573  100.000   98.810
LGA    A    44_A      A    44_A     0.531     0    0.020   0.038     0.572   95.238   94.286
LGA    S    45_A      S    45_A     0.292     0    0.055   0.052     0.365  100.000  100.000
LGA    I    46_A      I    46_A     0.242     0    0.028   0.650     1.980  100.000   96.607
LGA    E    47_A      E    47_A     0.541     0    0.071   0.191     2.950   97.619   81.376
LGA    A    48_A      A    48_A     0.266     0    0.021   0.033     0.339  100.000  100.000
LGA    I    49_A      I    49_A     0.323     0    0.021   0.032     0.370  100.000  100.000
LGA    T    50_A      T    50_A     0.373     0    0.060   1.128     2.414  100.000   89.728
LGA    T    51_A      T    51_A     0.421     0    0.010   0.033     0.634  100.000   95.918
LGA    Q    52_A      Q    52_A     0.435     0    0.023   0.820     2.421  100.000   90.847
LGA    V    53_A      V    53_A     0.174     0    0.035   0.049     0.232  100.000  100.000
LGA    T    54_A      T    54_A     0.227     0    0.045   0.092     0.447  100.000  100.000
LGA    N    55_A      N    55_A     0.225     0    0.025   0.166     0.726  100.000   98.810
LGA    G    56_A      G    56_A     0.245     0    0.048   0.048     0.387  100.000  100.000
LGA    K    57_A      K    57_A     0.871     0    0.039   0.163     2.133   90.595   81.746
LGA    G    58_A      G    58_A     1.551     0    0.054   0.054     1.551   79.286   79.286
LGA    A    59_A      A    59_A     1.230     0    0.051   0.062     1.310   81.429   81.429
LGA    M    60_A      M    60_A     0.710     0    0.030   0.246     0.882   90.476   92.857
LGA    P    61_A      P    61_A     0.699     0    0.039   0.206     1.026   90.476   89.184
LGA    A    62_A      A    62_A     0.617     0    0.077   0.090     1.011   88.214   88.667
LGA    F    63_A      F    63_A     0.237     0    0.074   0.105     0.612  100.000   97.403
LGA    G    64_A      G    64_A     0.299     0    0.040   0.040     0.581   97.619   97.619
LGA    S    65_A      S    65_A     0.587     0    0.081   0.644     2.621   90.595   85.000
LGA    K    66_A      K    66_A     0.378     0    0.050   0.754     2.865  100.000   89.418
LGA    L    67_A      L    67_A     0.332     0    0.012   0.060     0.449  100.000  100.000
LGA    S    68_A      S    68_A     0.370     0    0.013   0.091     0.439  100.000  100.000
LGA    A    69_A      A    69_A     0.310     0    0.022   0.021     0.371  100.000  100.000
LGA    D    70_A      D    70_A     0.322     0    0.079   0.288     1.446  100.000   96.488
LGA    D    71_A      D    71_A     0.215     0    0.023   0.191     0.845  100.000   98.810
LGA    I    72_A      I    72_A     0.306     0    0.011   0.062     0.444  100.000  100.000
LGA    A    73_A      A    73_A     0.254     0    0.012   0.017     0.314  100.000  100.000
LGA    D    74_A      D    74_A     0.205     0    0.041   0.053     0.319  100.000  100.000
LGA    V    75_A      V    75_A     0.225     0    0.016   0.040     0.372  100.000  100.000
LGA    A    76_A      A    76_A     0.428     0    0.019   0.026     0.546   97.619   96.190
LGA    S    77_A      S    77_A     0.467     0    0.019   0.053     0.718  100.000   96.825
LGA    Y    78_A      Y    78_A     0.296     0    0.029   0.042     0.375  100.000  100.000
LGA    V    79_A      V    79_A     0.285     0    0.019   0.046     0.433  100.000  100.000
LGA    L    80_A      L    80_A     0.292     0    0.054   0.125     0.684  100.000   98.810
LGA    D    81_A      D    81_A     0.194     0    0.021   0.161     0.842  100.000   96.429
LGA    Q    82_A      Q    82_A     0.318     0    0.022   0.171     0.636  100.000   97.884
LGA    S    83_A      S    83_A     0.117     0    0.017   0.529     1.990  100.000   95.476
LGA    E    84_A      E    84_A     0.480     0    0.016   0.901     4.538   95.238   77.831
LGA    K    85_A      K    85_A     0.847     0    0.100   0.165     1.318   88.214   89.471
LGA    G    86_A      G    86_A     0.854     0    0.420   0.420     3.012   78.095   78.095
LGA    W    87_A      W    87_A     0.224     0    0.300   0.248     0.844   97.619   97.279
LGA    Q    88_A      Q    88_A     1.733     0    0.085   0.724     4.309   75.000   66.296
LGA    G    89_A      G    89_A     1.837     0    0.623   0.623     5.790   52.619   52.619

# 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):     0.827          0.857                  1.022           95.720   93.461

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   89   89    4.0     89    0.83    98.034    98.950     9.605

LGA_LOCAL      RMSD:   0.827  Number of atoms:   89  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.827  Number of assigned atoms:   89 
Std_ASGN_ATOMS RMSD:   0.827  Standard rmsd on all 89 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.047231 * X  +  -0.857457 * Y  +   0.512383 * Z  +  -2.914578
  Y_new =   0.918192 * X  +   0.164708 * Y  +   0.360271 * Z  + -14.052399
  Z_new =  -0.393311 * X  +   0.487482 * Y  +   0.779531 * Z  +   2.720715 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.622190  0.404230  0.558853   [DEG:   92.9446   23.1607   32.0199 ]
ZXZ:  2.183619  0.676880 -0.678886   [DEG:  125.1121   38.7824  -38.8973 ]
 
# END of job
