
#######################################################
#                                                     #
#                        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        0.81     0.81
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    89       1_A - 89_A        0.81     0.81
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    89       1_A - 89_A        0.81     0.81
  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   39   68   88   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    3    5    6    6   88   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     23   85   86   87   87   88   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     76   85   86   87   87   88   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     76   85   86   87   87   88   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     50   85   86   87   87   88   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     76   85   86   87   87   88   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     76   85   86   87   87   88   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     76   85   86   87   87   88   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     76   85   86   87   87   88   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     76   85   86   87   87   88   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     76   85   86   87   87   88   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     76   85   86   87   87   88   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     76   85   86   87   87   88   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     76   85   86   87   87   88   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     76   85   86   87   87   88   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     76   85   86   87   87   88   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     75   85   86   87   87   88   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     76   85   86   87   87   88   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     76   85   86   87   87   88   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     76   85   86   87   87   88   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     75   85   86   87   87   88   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     76   85   86   87   87   88   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     76   85   86   87   87   88   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     76   85   86   87   87   88   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     76   85   86   87   87   88   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     74   85   86   87   87   88   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     76   85   86   87   87   88   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     76   85   86   87   87   88   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     76   85   86   87   87   88   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     76   85   86   87   87   88   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     76   85   86   87   87   88   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     76   85   86   87   87   88   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     76   85   86   87   87   88   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     76   85   86   87   87   88   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     76   85   86   87   87   88   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     76   85   86   87   87   88   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     76   85   86   87   87   88   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     76   85   86   87   87   88   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     76   85   86   87   87   88   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     76   85   86   87   87   88   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     76   85   86   87   87   88   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     76   85   86   87   87   88   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     76   85   86   87   87   88   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     76   85   86   87   87   88   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     76   85   86   87   87   88   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     75   85   86   87   87   88   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     76   85   86   87   87   88   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     76   85   86   87   87   88   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     76   85   86   87   87   88   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     76   85   86   87   87   88   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     76   85   86   87   87   88   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     76   85   86   87   87   88   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     76   85   86   87   87   88   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     76   85   86   87   87   88   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     76   85   86   87   87   88   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     42   85   86   87   87   88   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     17   84   86   87   87   88   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     42   85   86   87   87   88   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     76   85   86   87   87   88   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     76   85   86   87   87   88   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     76   85   86   87   87   88   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     76   85   86   87   87   88   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     76   85   86   87   87   88   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     76   85   86   87   87   88   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     76   85   86   87   87   88   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     76   85   86   87   87   88   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     76   85   86   87   87   88   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     76   85   86   87   87   88   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     76   85   86   87   87   88   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     76   85   86   87   87   88   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     76   85   86   87   87   88   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     76   85   86   87   87   88   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     76   85   86   87   87   88   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     76   85   86   87   87   88   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     76   85   86   87   87   88   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     76   85   86   87   87   88   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     76   85   86   87   87   88   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     76   85   86   87   87   88   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     76   85   86   87   87   88   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     76   85   86   87   87   88   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     76   85   86   87   87   88   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     76   85   86   87   87   88   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     76   85   86   87   87   88   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     76   85   86   87   87   88   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     76   85   86   87   87   88   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     76   85   86   87   87   88   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     49   85   86   87   87   88   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   24   56   87   87   88   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     76     85     86     87     87     88     89     89     89     89     89     89     89     89     89     89     89     89     89     89 
GDT PERCENT_AT  85.39  95.51  96.63  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
GDT RMS_LOCAL    0.29   0.36   0.39   0.47   0.47   0.65   0.81   0.81   0.81   0.81   0.81   0.81   0.81   0.81   0.81   0.81   0.81   0.81   0.81   0.81
GDT RMS_ALL_AT   0.82   0.82   0.82   0.82   0.82   0.81   0.81   0.81   0.81   0.81   0.81   0.81   0.81   0.81   0.81   0.81   0.81   0.81   0.81   0.81

# 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     4.410     0    0.043   0.043     4.426   53.214   53.214
LGA    S     2_A      S     2_A     4.150     0    0.029   0.617     7.736   40.357   30.317
LGA    A     3_A      A     3_A     0.804     0    0.392   0.409     1.665   88.214   85.143
LGA    D     4_A      D     4_A     0.350     0    0.034   0.073     0.715   97.619   97.619
LGA    L     5_A      L     5_A     0.323     0    0.080   0.082     0.473  100.000  100.000
LGA    A     6_A      A     6_A     0.722     0    0.063   0.072     1.001   92.857   90.571
LGA    H     7_A      H     7_A     0.545     0    0.054   1.157     2.376   95.238   85.429
LGA    G     8_A      G     8_A     0.261     0    0.022   0.022     0.410  100.000  100.000
LGA    G     9_A      G     9_A     0.289     0    0.034   0.034     0.289  100.000  100.000
LGA    Q    10_A      Q    10_A     0.294     0    0.032   0.421     1.270  100.000   96.878
LGA    V    11_A      V    11_A     0.253     0    0.034   0.039     0.371  100.000  100.000
LGA    F    12_A      F    12_A     0.146     0    0.017   0.058     0.373  100.000  100.000
LGA    S    13_A      S    13_A     0.256     0    0.026   0.654     1.891   97.619   93.889
LGA    A    14_A      A    14_A     0.293     0    0.044   0.067     0.495  100.000  100.000
LGA    N    15_A      N    15_A     0.373     0    0.030   0.064     0.650   97.619   96.429
LGA    C    16_A      C    16_A     0.132     0    0.046   0.099     0.416  100.000  100.000
LGA    A    17_A      A    17_A     0.187     0    0.086   0.096     0.487  100.000  100.000
LGA    A    18_A      A    18_A     0.493     0    0.026   0.032     0.626   97.619   96.190
LGA    C    19_A      C    19_A     0.250     0    0.023   0.052     0.482  100.000  100.000
LGA    H    20_A      H    20_A     0.060     0    0.075   0.164     0.466  100.000  100.000
LGA    L    21_A      L    21_A     0.288     0    0.027   0.139     0.811  100.000   97.619
LGA    G    22_A      G    22_A     0.440     0    0.072   0.072     0.585   97.619   97.619
LGA    G    23_A      G    23_A     0.216     0    0.035   0.035     0.309  100.000  100.000
LGA    R    24_A      R    24_A     0.223     0    0.028   1.340     3.854  100.000   82.900
LGA    N    25_A      N    25_A     0.185     0    0.029   0.054     0.212  100.000  100.000
LGA    V    26_A      V    26_A     0.421     0    0.030   0.034     0.565   97.619   98.639
LGA    V    27_A      V    27_A     0.473     0    0.018   0.049     0.651   95.238   94.558
LGA    N    28_A      N    28_A     0.283     0    0.036   0.067     0.382  100.000  100.000
LGA    P    29_A      P    29_A     0.341     0    0.030   0.033     0.550  100.000   98.639
LGA    A    30_A      A    30_A     0.353     0    0.063   0.059     0.602  100.000   98.095
LGA    K    31_A      K    31_A     0.267     0    0.067   0.167     1.189  100.000   95.820
LGA    T    32_A      T    32_A     0.170     0    0.022   0.085     0.172  100.000  100.000
LGA    L    33_A      L    33_A     0.076     0    0.018   0.107     0.480  100.000  100.000
LGA    Q    34_A      Q    34_A     0.093     0    0.033   0.958     4.129  100.000   82.698
LGA    K    35_A      K    35_A     0.114     0    0.022   0.438     2.066  100.000   95.026
LGA    A    36_A      A    36_A     0.285     0    0.039   0.049     0.444  100.000  100.000
LGA    D    37_A      D    37_A     0.323     0    0.010   0.125     0.693  100.000   98.810
LGA    L    38_A      L    38_A     0.300     0    0.026   0.107     0.352  100.000  100.000
LGA    D    39_A      D    39_A     0.377     0    0.031   0.076     0.507   97.619   98.810
LGA    Q    40_A      Q    40_A     0.582     0    0.042   0.117     1.285   92.857   90.529
LGA    Y    41_A      Y    41_A     0.498     0    0.034   0.082     0.583   92.857   95.238
LGA    G    42_A      G    42_A     0.543     0    0.019   0.019     0.543   92.857   92.857
LGA    M    43_A      M    43_A     0.392     0    0.074   0.116     0.758  100.000   96.429
LGA    A    44_A      A    44_A     0.484     0    0.023   0.037     0.516   97.619   96.190
LGA    S    45_A      S    45_A     0.310     0    0.052   0.049     0.357  100.000  100.000
LGA    I    46_A      I    46_A     0.229     0    0.027   0.057     0.291  100.000  100.000
LGA    E    47_A      E    47_A     0.619     0    0.073   0.192     3.065   97.619   78.783
LGA    A    48_A      A    48_A     0.335     0    0.019   0.027     0.387  100.000  100.000
LGA    I    49_A      I    49_A     0.286     0    0.022   0.030     0.354  100.000  100.000
LGA    T    50_A      T    50_A     0.389     0    0.053   1.120     2.524  100.000   88.639
LGA    T    51_A      T    51_A     0.506     0    0.010   0.036     0.748   95.238   93.197
LGA    Q    52_A      Q    52_A     0.481     0    0.027   0.787     2.252  100.000   90.847
LGA    V    53_A      V    53_A     0.121     0    0.031   0.049     0.212  100.000  100.000
LGA    T    54_A      T    54_A     0.259     0    0.043   0.078     0.433  100.000  100.000
LGA    N    55_A      N    55_A     0.315     0    0.027   0.130     0.590  100.000   97.619
LGA    G    56_A      G    56_A     0.237     0    0.043   0.043     0.464  100.000  100.000
LGA    K    57_A      K    57_A     0.783     0    0.049   0.170     2.136   92.857   82.751
LGA    G    58_A      G    58_A     1.461     0    0.056   0.056     1.461   81.429   81.429
LGA    A    59_A      A    59_A     0.977     0    0.053   0.068     1.121   88.214   88.667
LGA    M    60_A      M    60_A     0.472     0    0.032   0.234     0.647   97.619   98.810
LGA    P    61_A      P    61_A     0.497     0    0.031   0.150     0.814   92.857   91.837
LGA    A    62_A      A    62_A     0.508     0    0.062   0.071     0.789   90.476   90.476
LGA    F    63_A      F    63_A     0.243     0    0.067   0.102     0.602  100.000   98.268
LGA    G    64_A      G    64_A     0.254     0    0.022   0.022     0.397  100.000  100.000
LGA    S    65_A      S    65_A     0.558     0    0.084   0.642     2.351   90.595   86.270
LGA    K    66_A      K    66_A     0.527     0    0.043   0.767     3.228   95.238   83.598
LGA    L    67_A      L    67_A     0.426     0    0.011   0.053     0.516   97.619   98.810
LGA    S    68_A      S    68_A     0.474     0    0.020   0.066     0.602  100.000   96.825
LGA    A    69_A      A    69_A     0.261     0    0.016   0.020     0.372  100.000  100.000
LGA    D    70_A      D    70_A     0.404     0    0.084   0.294     1.518  100.000   93.036
LGA    D    71_A      D    71_A     0.296     0    0.023   0.183     0.695  100.000   97.619
LGA    I    72_A      I    72_A     0.278     0    0.012   0.071     0.451  100.000  100.000
LGA    A    73_A      A    73_A     0.272     0    0.011   0.015     0.323  100.000  100.000
LGA    D    74_A      D    74_A     0.185     0    0.033   0.062     0.510  100.000   98.810
LGA    V    75_A      V    75_A     0.190     0    0.018   0.045     0.358  100.000  100.000
LGA    A    76_A      A    76_A     0.389     0    0.014   0.021     0.490  100.000  100.000
LGA    S    77_A      S    77_A     0.371     0    0.029   0.056     0.644  100.000   98.413
LGA    Y    78_A      Y    78_A     0.257     0    0.019   0.034     0.359  100.000  100.000
LGA    V    79_A      V    79_A     0.269     0    0.022   0.051     0.463  100.000  100.000
LGA    L    80_A      L    80_A     0.270     0    0.051   0.117     0.754  100.000   98.810
LGA    D    81_A      D    81_A     0.217     0    0.018   0.122     0.531  100.000   98.810
LGA    Q    82_A      Q    82_A     0.227     0    0.030   0.999     2.189  100.000   92.169
LGA    S    83_A      S    83_A     0.150     0    0.021   0.526     2.095  100.000   94.127
LGA    E    84_A      E    84_A     0.393     0    0.020   0.879     4.541  100.000   80.741
LGA    K    85_A      K    85_A     0.410     0    0.059   0.147     0.620   97.619   97.884
LGA    G    86_A      G    86_A     0.291     0    0.012   0.012     0.291  100.000  100.000
LGA    W    87_A      W    87_A     0.238     0    0.119   0.112     0.645   97.619   97.959
LGA    Q    88_A      Q    88_A     0.835     0    0.095   0.532     1.774   88.214   86.508
LGA    G    89_A      G    89_A     2.447     0    0.658   0.658     4.060   59.881   59.881

# 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):     0.805          0.759                  0.961           96.491   94.132

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   89   89    4.0     89    0.81    98.315    99.019     9.829

LGA_LOCAL      RMSD:   0.805  Number of atoms:   89  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.805  Number of assigned atoms:   89 
Std_ASGN_ATOMS RMSD:   0.805  Standard rmsd on all 89 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.512304 * X  +  -0.586044 * Y  +   0.627771 * Z  +   0.505443
  Y_new =   0.613090 * X  +   0.761449 * Y  +   0.210513 * Z  + -14.330078
  Z_new =  -0.601386 * X  +   0.277034 * Y  +   0.749391 * Z  +   0.910962 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.874715  0.645235  0.354097   [DEG:   50.1175   36.9692   20.2883 ]
ZXZ:  1.894346  0.723654 -1.139114   [DEG:  108.5380   41.4623  -65.2664 ]
 
# END of job
