
#######################################################
#                                                     #
#                        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        1.17     1.17
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    89       1_A - 89_A        1.17     1.17
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    88       1_A - 88_A        0.82     1.18
  LCS_AVERAGE:     98.86

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     88   89   89      3    4   13   70   86   87   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     S     2_A     S     2_A     88   89   89      3    4    4    6   78   87   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A     3_A     A     3_A     88   89   89     17   84   85   85   86   87   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     D     4_A     D     4_A     88   89   89     68   84   85   85   86   87   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     L     5_A     L     5_A     88   89   89     67   84   85   85   86   87   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A     6_A     A     6_A     88   89   89     64   84   85   85   86   87   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     H     7_A     H     7_A     88   89   89     68   84   85   85   86   87   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G     8_A     G     8_A     88   89   89     68   84   85   85   86   87   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G     9_A     G     9_A     88   89   89     68   84   85   85   86   87   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Q    10_A     Q    10_A     88   89   89     68   84   85   85   86   87   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     V    11_A     V    11_A     88   89   89     68   84   85   85   86   87   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     F    12_A     F    12_A     88   89   89     68   84   85   85   86   87   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     S    13_A     S    13_A     88   89   89     68   84   85   85   86   87   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    14_A     A    14_A     88   89   89     68   84   85   85   86   87   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     N    15_A     N    15_A     88   89   89     68   84   85   85   86   87   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     C    16_A     C    16_A     88   89   89     68   84   85   85   86   87   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    17_A     A    17_A     88   89   89     68   84   85   85   86   87   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    18_A     A    18_A     88   89   89     68   84   85   85   86   87   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     C    19_A     C    19_A     88   89   89     68   84   85   85   86   87   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     H    20_A     H    20_A     88   89   89     68   84   85   85   86   87   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     L    21_A     L    21_A     88   89   89     68   84   85   85   86   87   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    22_A     G    22_A     88   89   89     62   84   85   85   86   87   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    23_A     G    23_A     88   89   89     68   84   85   85   86   87   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     R    24_A     R    24_A     88   89   89     68   84   85   85   86   87   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     N    25_A     N    25_A     88   89   89     68   84   85   85   86   87   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     V    26_A     V    26_A     88   89   89     68   84   85   85   86   87   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     V    27_A     V    27_A     88   89   89     66   84   85   85   86   87   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     N    28_A     N    28_A     88   89   89     61   84   85   85   86   87   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     P    29_A     P    29_A     88   89   89     53   84   85   85   86   87   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    30_A     A    30_A     88   89   89     68   84   85   85   86   87   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     K    31_A     K    31_A     88   89   89     68   84   85   85   86   87   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     T    32_A     T    32_A     88   89   89     68   84   85   85   86   87   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     L    33_A     L    33_A     88   89   89     68   84   85   85   86   87   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Q    34_A     Q    34_A     88   89   89     68   84   85   85   86   87   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     K    35_A     K    35_A     88   89   89     68   84   85   85   86   87   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    36_A     A    36_A     88   89   89     68   84   85   85   86   87   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     D    37_A     D    37_A     88   89   89     68   84   85   85   86   87   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     L    38_A     L    38_A     88   89   89     68   84   85   85   86   87   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     D    39_A     D    39_A     88   89   89     68   84   85   85   86   87   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Q    40_A     Q    40_A     88   89   89     68   84   85   85   86   87   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Y    41_A     Y    41_A     88   89   89     68   84   85   85   86   87   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    42_A     G    42_A     88   89   89     68   84   85   85   86   87   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     M    43_A     M    43_A     88   89   89     68   84   85   85   86   87   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    44_A     A    44_A     88   89   89     68   84   85   85   86   87   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     S    45_A     S    45_A     88   89   89     68   84   85   85   86   87   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     I    46_A     I    46_A     88   89   89     68   84   85   85   86   87   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     E    47_A     E    47_A     88   89   89     67   84   85   85   86   87   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    48_A     A    48_A     88   89   89     68   84   85   85   86   87   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     I    49_A     I    49_A     88   89   89     68   84   85   85   86   87   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     T    50_A     T    50_A     88   89   89     68   84   85   85   86   87   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     T    51_A     T    51_A     88   89   89     68   84   85   85   86   87   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Q    52_A     Q    52_A     88   89   89     68   84   85   85   86   87   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     V    53_A     V    53_A     88   89   89     68   84   85   85   86   87   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     T    54_A     T    54_A     88   89   89     68   84   85   85   86   87   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     N    55_A     N    55_A     88   89   89     68   84   85   85   86   87   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    56_A     G    56_A     88   89   89     68   84   85   85   86   87   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     K    57_A     K    57_A     88   89   89     68   84   85   85   86   87   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    58_A     G    58_A     88   89   89     66   84   85   85   86   87   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    59_A     A    59_A     88   89   89     68   84   85   85   86   87   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     M    60_A     M    60_A     88   89   89     68   84   85   85   86   87   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     P    61_A     P    61_A     88   89   89     68   84   85   85   86   87   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    62_A     A    62_A     88   89   89     68   84   85   85   86   87   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     F    63_A     F    63_A     88   89   89     68   84   85   85   86   87   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    64_A     G    64_A     88   89   89     54   84   85   85   86   87   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     S    65_A     S    65_A     88   89   89     14   84   85   85   86   87   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     K    66_A     K    66_A     88   89   89     62   84   85   85   86   87   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     L    67_A     L    67_A     88   89   89     62   84   85   85   86   87   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     S    68_A     S    68_A     88   89   89     62   84   85   85   86   87   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    69_A     A    69_A     88   89   89     68   84   85   85   86   87   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     D    70_A     D    70_A     88   89   89     68   84   85   85   86   87   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     D    71_A     D    71_A     88   89   89     68   84   85   85   86   87   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     I    72_A     I    72_A     88   89   89     68   84   85   85   86   87   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    73_A     A    73_A     88   89   89     68   84   85   85   86   87   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     D    74_A     D    74_A     88   89   89     68   84   85   85   86   87   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     V    75_A     V    75_A     88   89   89     68   84   85   85   86   87   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    76_A     A    76_A     88   89   89     68   84   85   85   86   87   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     S    77_A     S    77_A     88   89   89     68   84   85   85   86   87   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Y    78_A     Y    78_A     88   89   89     68   84   85   85   86   87   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     V    79_A     V    79_A     88   89   89     68   84   85   85   86   87   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     L    80_A     L    80_A     88   89   89     68   84   85   85   86   87   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     D    81_A     D    81_A     88   89   89     68   84   85   85   86   87   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Q    82_A     Q    82_A     88   89   89     68   84   85   85   86   87   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     S    83_A     S    83_A     88   89   89     68   84   85   85   86   87   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     E    84_A     E    84_A     88   89   89     20   84   85   85   86   87   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     K    85_A     K    85_A     88   89   89     13   75   85   85   86   87   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    86_A     G    86_A     88   89   89     24   84   85   85   86   87   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     W    87_A     W    87_A     88   89   89     68   84   85   85   86   87   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Q    88_A     Q    88_A     88   89   89      9   38   67   84   86   87   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    89_A     G    89_A     87   89   89      3    3    3    3    4   14   18   22   35   40   89   89   89   89   89   89   89   89   89   89 
LCS_AVERAGE  LCS_A:  99.62  (  98.86  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     68     84     85     85     86     87     88     88     88     88     89     89     89     89     89     89     89     89     89     89 
GDT PERCENT_AT  76.40  94.38  95.51  95.51  96.63  97.75  98.88  98.88  98.88  98.88 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.30   0.42   0.45   0.45   0.55   0.66   0.82   0.82   0.82   0.82   1.17   1.17   1.17   1.17   1.17   1.17   1.17   1.17   1.17   1.17
GDT RMS_ALL_AT   1.18   1.19   1.19   1.19   1.18   1.18   1.18   1.18   1.18   1.18   1.17   1.17   1.17   1.17   1.17   1.17   1.17   1.17   1.17   1.17

# Checking swapping
#   possible swapping detected:  F    12_A      F    12_A
#   possible swapping detected:  D    81_A      D    81_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     1_A      G     1_A     3.431     0    0.391   0.391     4.024   58.690   58.690
LGA    S     2_A      S     2_A     4.533     0    0.029   0.606     8.354   37.500   27.460
LGA    A     3_A      A     3_A     0.970     0    0.488   0.516     2.002   83.810   80.000
LGA    D     4_A      D     4_A     0.360     0    0.019   0.451     1.438   92.857   90.595
LGA    L     5_A      L     5_A     0.632     0    0.044   0.947     3.194   95.238   85.536
LGA    A     6_A      A     6_A     0.690     0    0.037   0.041     1.013   92.857   90.571
LGA    H     7_A      H     7_A     0.326     0    0.030   0.250     0.747  100.000   97.143
LGA    G     8_A      G     8_A     0.142     0    0.033   0.033     0.199  100.000  100.000
LGA    G     9_A      G     9_A     0.259     0    0.038   0.038     0.259  100.000  100.000
LGA    Q    10_A      Q    10_A     0.134     0    0.030   0.937     3.796  100.000   81.958
LGA    V    11_A      V    11_A     0.239     0    0.022   0.069     0.491  100.000  100.000
LGA    F    12_A      F    12_A     0.224     0    0.024   0.083     0.424  100.000  100.000
LGA    S    13_A      S    13_A     0.253     0    0.040   0.668     2.170  100.000   94.127
LGA    A    14_A      A    14_A     0.383     0    0.099   0.099     0.900   95.238   96.190
LGA    N    15_A      N    15_A     0.417     0    0.100   0.129     1.156   92.976   95.298
LGA    C    16_A      C    16_A     0.302     0    0.036   0.173     0.590  100.000   98.413
LGA    A    17_A      A    17_A     0.420     0    0.075   0.070     0.728  100.000   98.095
LGA    A    18_A      A    18_A     0.557     0    0.098   0.095     0.860   92.857   92.381
LGA    C    19_A      C    19_A     0.382     0    0.099   0.101     0.672   97.619   98.413
LGA    H    20_A      H    20_A     0.247     0    0.114   0.182     0.632   97.619   95.238
LGA    L    21_A      L    21_A     0.211     0    0.012   1.207     3.090   97.619   87.202
LGA    G    22_A      G    22_A     0.705     0    0.070   0.070     0.705   92.857   92.857
LGA    G    23_A      G    23_A     0.291     0    0.048   0.048     0.478  100.000  100.000
LGA    R    24_A      R    24_A     0.259     0    0.038   1.348     5.285  100.000   80.390
LGA    N    25_A      N    25_A     0.270     0    0.033   0.120     0.406  100.000  100.000
LGA    V    26_A      V    26_A     0.459     0    0.079   0.101     0.629   97.619   94.558
LGA    V    27_A      V    27_A     0.502     0    0.055   0.065     0.545   95.238   97.279
LGA    N    28_A      N    28_A     0.654     0    0.074   0.162     0.828   90.476   92.857
LGA    P    29_A      P    29_A     0.831     0    0.088   0.154     1.066   88.214   87.891
LGA    A    30_A      A    30_A     0.381     0    0.147   0.146     1.135   95.357   94.381
LGA    K    31_A      K    31_A     0.182     0    0.110   0.276     3.349  100.000   83.545
LGA    T    32_A      T    32_A     0.284     0    0.033   0.038     0.317  100.000  100.000
LGA    L    33_A      L    33_A     0.302     0    0.085   0.157     1.065  100.000   94.107
LGA    Q    34_A      Q    34_A     0.327     0    0.011   1.090     4.721  100.000   81.005
LGA    K    35_A      K    35_A     0.474     0    0.021   0.865     3.820  100.000   85.608
LGA    A    36_A      A    36_A     0.542     0    0.049   0.050     0.553   95.238   94.286
LGA    D    37_A      D    37_A     0.386     0    0.027   0.263     1.179  100.000   96.488
LGA    L    38_A      L    38_A     0.131     0    0.050   0.078     0.739  100.000   96.429
LGA    D    39_A      D    39_A     0.363     0    0.029   0.083     0.987  100.000   95.238
LGA    Q    40_A      Q    40_A     0.181     0    0.034   0.773     3.511  100.000   85.026
LGA    Y    41_A      Y    41_A     0.345     0    0.206   0.269     1.863   97.619   86.190
LGA    G    42_A      G    42_A     0.244     0    0.121   0.121     0.415  100.000  100.000
LGA    M    43_A      M    43_A     0.202     0    0.122   0.112     0.706   97.619   95.238
LGA    A    44_A      A    44_A     0.381     0    0.169   0.167     1.231   92.976   94.381
LGA    S    45_A      S    45_A     0.306     0    0.034   0.570     1.431  100.000   95.317
LGA    I    46_A      I    46_A     0.359     0    0.028   1.021     3.294  100.000   83.988
LGA    E    47_A      E    47_A     0.534     0    0.067   1.098     4.035   97.619   81.905
LGA    A    48_A      A    48_A     0.371     0    0.017   0.033     0.454  100.000  100.000
LGA    I    49_A      I    49_A     0.364     0    0.022   1.049     2.375  100.000   87.798
LGA    T    50_A      T    50_A     0.314     0    0.035   0.067     0.704  100.000   95.918
LGA    T    51_A      T    51_A     0.270     0    0.023   1.165     2.770  100.000   88.844
LGA    Q    52_A      Q    52_A     0.188     0    0.029   0.991     2.634  100.000   92.222
LGA    V    53_A      V    53_A     0.159     0    0.025   0.121     0.539  100.000   98.639
LGA    T    54_A      T    54_A     0.173     0    0.043   0.092     0.588  100.000   98.639
LGA    N    55_A      N    55_A     0.246     0    0.111   0.296     0.755  100.000   97.619
LGA    G    56_A      G    56_A     0.318     0    0.049   0.049     0.448  100.000  100.000
LGA    K    57_A      K    57_A     0.184     0    0.062   0.897     2.823  100.000   87.407
LGA    G    58_A      G    58_A     0.472     0    0.041   0.041     0.472  100.000  100.000
LGA    A    59_A      A    59_A     0.296     0    0.142   0.140     0.700   97.619   96.190
LGA    M    60_A      M    60_A     0.320     0    0.041   0.280     0.911  100.000   98.810
LGA    P    61_A      P    61_A     0.318     0    0.031   0.077     0.482  100.000  100.000
LGA    A    62_A      A    62_A     0.228     0    0.079   0.111     0.746   97.619   98.095
LGA    F    63_A      F    63_A     0.360     0    0.104   0.187     0.929   95.238   94.805
LGA    G    64_A      G    64_A     0.921     0    0.670   0.670     3.837   76.667   76.667
LGA    S    65_A      S    65_A     0.793     0    0.058   0.716     2.652   88.214   83.413
LGA    K    66_A      K    66_A     0.814     0    0.166   1.246     2.362   90.476   81.799
LGA    L    67_A      L    67_A     0.727     0    0.035   0.076     0.925   90.476   90.476
LGA    S    68_A      S    68_A     0.810     0    0.044   0.052     0.851   90.476   90.476
LGA    A    69_A      A    69_A     0.626     0    0.034   0.043     0.667   90.476   90.476
LGA    D    70_A      D    70_A     0.629     0    0.044   0.808     2.640   95.238   83.274
LGA    D    71_A      D    71_A     0.271     0    0.022   0.122     0.907  100.000   98.810
LGA    I    72_A      I    72_A     0.306     0    0.022   0.101     0.398  100.000  100.000
LGA    A    73_A      A    73_A     0.357     0    0.025   0.044     0.357  100.000  100.000
LGA    D    74_A      D    74_A     0.258     0    0.021   0.110     0.510  100.000   98.810
LGA    V    75_A      V    75_A     0.128     0    0.022   0.092     0.362  100.000  100.000
LGA    A    76_A      A    76_A     0.151     0    0.038   0.043     0.258  100.000  100.000
LGA    S    77_A      S    77_A     0.173     0    0.034   0.051     0.173  100.000  100.000
LGA    Y    78_A      Y    78_A     0.173     0    0.028   0.171     0.875  100.000   97.619
LGA    V    79_A      V    79_A     0.098     0    0.027   0.129     0.563  100.000   98.639
LGA    L    80_A      L    80_A     0.305     0    0.021   0.981     3.862  100.000   87.202
LGA    D    81_A      D    81_A     0.410     0    0.029   0.489     1.588  100.000   93.036
LGA    Q    82_A      Q    82_A     0.258     0    0.023   1.023     3.071  100.000   87.302
LGA    S    83_A      S    83_A     0.368     0    0.043   0.600     2.500   95.238   89.365
LGA    E    84_A      E    84_A     1.152     0    0.037   1.021     5.752   83.690   62.804
LGA    K    85_A      K    85_A     1.441     0    0.046   1.063     3.108   81.429   77.143
LGA    G    86_A      G    86_A     0.833     0    0.475   0.475     3.105   78.095   78.095
LGA    W    87_A      W    87_A     0.538     0    0.573   0.514     2.215   84.048   90.034
LGA    Q    88_A      Q    88_A     2.913     0    0.079   1.102     6.850   42.381   35.503
LGA    G    89_A      G    89_A     8.001     0    0.577   0.577    12.321    6.548    6.548

# 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):     1.166          1.337                  1.529           93.929   89.761

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   89   89    4.0     88    0.82    97.191    98.320     9.533

LGA_LOCAL      RMSD:   0.823  Number of atoms:   88  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.179  Number of assigned atoms:   89 
Std_ASGN_ATOMS RMSD:   1.166  Standard rmsd on all 89 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.192831 * X  +   0.919476 * Y  +  -0.342608 * Z  + -10.886843
  Y_new =  -0.272590 * X  +   0.385615 * Y  +   0.881474 * Z  + -45.754688
  Z_new =   0.942609 * X  +  -0.076584 * Y  +   0.324998 * Z  + -64.808456 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.955120 -1.230359 -0.231421   [DEG:  -54.7243  -70.4944  -13.2594 ]
ZXZ: -2.770885  1.239786  1.651865   [DEG: -158.7600   71.0345   94.6449 ]
 
# END of job
