
#######################################################
#                                                     #
#                        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        0.70     1.19
  LCS_AVERAGE:     97.80

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   35   83   86   87   88   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   26   78   88   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     52   84   85   86   87   88   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     70   84   85   86   87   88   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     70   84   85   86   87   88   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     70   84   85   86   87   88   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     70   84   85   86   87   88   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     70   84   85   86   87   88   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     70   84   85   86   87   88   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     70   84   85   86   87   88   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     70   84   85   86   87   88   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     70   84   85   86   87   88   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     70   84   85   86   87   88   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     70   84   85   86   87   88   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     70   84   85   86   87   88   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     70   84   85   86   87   88   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     70   84   85   86   87   88   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     70   84   85   86   87   88   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     70   84   85   86   87   88   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     70   84   85   86   87   88   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     70   84   85   86   87   88   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     69   84   85   86   87   88   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     70   84   85   86   87   88   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     70   84   85   86   87   88   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     70   84   85   86   87   88   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     70   84   85   86   87   88   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     70   84   85   86   87   88   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     70   84   85   86   87   88   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     67   84   85   86   87   88   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     70   84   85   86   87   88   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     70   84   85   86   87   88   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     70   84   85   86   87   88   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     70   84   85   86   87   88   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     70   84   85   86   87   88   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     70   84   85   86   87   88   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     70   84   85   86   87   88   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     70   84   85   86   87   88   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     70   84   85   86   87   88   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     35   84   85   86   87   88   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     50   84   85   86   87   88   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     59   84   85   86   87   88   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     70   84   85   86   87   88   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     70   84   85   86   87   88   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     61   84   85   86   87   88   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     70   84   85   86   87   88   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     70   84   85   86   87   88   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     70   84   85   86   87   88   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     70   84   85   86   87   88   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     70   84   85   86   87   88   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     70   84   85   86   87   88   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     70   84   85   86   87   88   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     70   84   85   86   87   88   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     70   84   85   86   87   88   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     70   84   85   86   87   88   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     70   84   85   86   87   88   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     70   84   85   86   87   88   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     70   84   85   86   87   88   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     70   84   85   86   87   88   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     70   84   85   86   87   88   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     70   84   85   86   87   88   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     70   84   85   86   87   88   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     70   84   85   86   87   88   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     70   84   85   86   87   88   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     70   84   85   86   87   88   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     44   84   85   86   87   88   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     67   84   85   86   87   88   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     70   84   85   86   87   88   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     70   84   85   86   87   88   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     70   84   85   86   87   88   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     70   84   85   86   87   88   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     70   84   85   86   87   88   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     70   84   85   86   87   88   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     70   84   85   86   87   88   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     70   84   85   86   87   88   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     70   84   85   86   87   88   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     70   84   85   86   87   88   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     70   84   85   86   87   88   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     70   84   85   86   87   88   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     70   84   85   86   87   88   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     70   84   85   86   87   88   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     70   84   85   86   87   88   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     70   84   85   86   87   88   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     70   84   85   86   87   88   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     47   84   85   86   87   88   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      9   83   85   86   87   88   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     35   84   85   86   87   88   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     70   84   85   86   87   88   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      6   12   58   86   87   88   88   88   88   88   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    89_A     G    89_A      3   89   89      3    3    3    6    7    9   17   18   33   81   89   89   89   89   89   89   89   89   89   89 
LCS_AVERAGE  LCS_A:  99.27  (  97.80  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     70     84     85     86     87     88     88     88     88     88     89     89     89     89     89     89     89     89     89     89 
GDT PERCENT_AT  78.65  94.38  95.51  96.63  97.75  98.88  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    0.28   0.38   0.40   0.46   0.57   0.70   0.70   0.70   0.70   0.70   1.17   1.17   1.17   1.17   1.17   1.17   1.17   1.17   1.17   1.17
GDT RMS_ALL_AT   1.20   1.20   1.21   1.21   1.19   1.19   1.19   1.19   1.19   1.19   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:  E    47_A      E    47_A
#   possible swapping detected:  F    63_A      F    63_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     2.052     0    0.034   0.034     2.052   77.738   77.738
LGA    S     2_A      S     2_A     3.882     0    0.119   0.643     7.166   52.143   40.000
LGA    A     3_A      A     3_A     0.682     0    0.440   0.451     1.723   83.810   83.333
LGA    D     4_A      D     4_A     0.294     0    0.023   0.155     0.710  100.000   98.810
LGA    L     5_A      L     5_A     0.353     0    0.045   1.011     3.673  100.000   82.262
LGA    A     6_A      A     6_A     0.511     0    0.044   0.048     0.902   97.619   96.190
LGA    H     7_A      H     7_A     0.340     0    0.033   0.260     1.085  100.000   95.286
LGA    G     8_A      G     8_A     0.208     0    0.029   0.029     0.268  100.000  100.000
LGA    G     9_A      G     9_A     0.269     0    0.044   0.044     0.300  100.000  100.000
LGA    Q    10_A      Q    10_A     0.216     0    0.026   0.663     2.453  100.000   84.339
LGA    V    11_A      V    11_A     0.279     0    0.024   0.086     0.529  100.000   98.639
LGA    F    12_A      F    12_A     0.201     0    0.024   0.038     0.277  100.000  100.000
LGA    S    13_A      S    13_A     0.142     0    0.036   0.056     0.205  100.000  100.000
LGA    A    14_A      A    14_A     0.322     0    0.101   0.101     0.847   97.619   98.095
LGA    N    15_A      N    15_A     0.268     0    0.101   1.083     2.453   97.619   91.012
LGA    C    16_A      C    16_A     0.140     0    0.041   0.173     0.624  100.000   98.413
LGA    A    17_A      A    17_A     0.201     0    0.095   0.089     0.506   97.619   96.190
LGA    A    18_A      A    18_A     0.583     0    0.092   0.089     0.924   92.857   92.381
LGA    C    19_A      C    19_A     0.302     0    0.092   0.093     0.543   97.619   98.413
LGA    H    20_A      H    20_A     0.180     0    0.120   0.156     0.849  100.000   95.238
LGA    L    21_A      L    21_A     0.251     0    0.016   1.370     3.491   97.619   83.810
LGA    G    22_A      G    22_A     0.532     0    0.072   0.072     0.532   97.619   97.619
LGA    G    23_A      G    23_A     0.182     0    0.045   0.045     0.317  100.000  100.000
LGA    R    24_A      R    24_A     0.088     0    0.024   0.979     3.396  100.000   83.333
LGA    N    25_A      N    25_A     0.217     0    0.037   0.157     0.476  100.000  100.000
LGA    V    26_A      V    26_A     0.395     0    0.107   1.151     3.079   97.619   85.102
LGA    V    27_A      V    27_A     0.396     0    0.040   1.116     2.665  100.000   88.844
LGA    N    28_A      N    28_A     0.437     0    0.071   0.927     3.623   97.619   81.964
LGA    P    29_A      P    29_A     0.601     0    0.110   0.169     0.968   90.476   90.476
LGA    A    30_A      A    30_A     0.479     0    0.144   0.142     1.427   92.976   92.476
LGA    K    31_A      K    31_A     0.140     0    0.072   0.143     0.839  100.000   97.884
LGA    T    32_A      T    32_A     0.372     0    0.033   0.929     2.534  100.000   90.000
LGA    L    33_A      L    33_A     0.269     0    0.079   0.147     0.797  100.000   95.238
LGA    Q    34_A      Q    34_A     0.339     0    0.030   1.331     4.620  100.000   80.635
LGA    K    35_A      K    35_A     0.443     0    0.027   0.997     4.133  100.000   79.471
LGA    A    36_A      A    36_A     0.296     0    0.046   0.047     0.355  100.000  100.000
LGA    D    37_A      D    37_A     0.270     0    0.027   0.944     3.194  100.000   85.952
LGA    L    38_A      L    38_A     0.286     0    0.040   0.067     0.706   95.238   97.619
LGA    D    39_A      D    39_A     0.634     0    0.027   0.854     3.821   90.476   75.357
LGA    Q    40_A      Q    40_A     0.727     0    0.039   0.791     3.034   90.476   77.407
LGA    Y    41_A      Y    41_A     0.683     0    0.162   0.432     2.360   92.857   83.413
LGA    G    42_A      G    42_A     0.480     0    0.123   0.123     0.499  100.000  100.000
LGA    M    43_A      M    43_A     0.265     0    0.114   0.109     0.680   95.238   94.048
LGA    A    44_A      A    44_A     0.572     0    0.157   0.155     1.363   88.214   88.667
LGA    S    45_A      S    45_A     0.411     0    0.038   0.547     1.298  100.000   95.317
LGA    I    46_A      I    46_A     0.305     0    0.028   1.578     4.518  100.000   80.714
LGA    E    47_A      E    47_A     0.476     0    0.057   1.103     5.402  100.000   72.593
LGA    A    48_A      A    48_A     0.288     0    0.023   0.040     0.355  100.000  100.000
LGA    I    49_A      I    49_A     0.274     0    0.019   0.090     0.321  100.000  100.000
LGA    T    50_A      T    50_A     0.253     0    0.035   0.053     0.481  100.000  100.000
LGA    T    51_A      T    51_A     0.146     0    0.021   0.959     2.350  100.000   89.932
LGA    Q    52_A      Q    52_A     0.120     0    0.035   0.942     2.848  100.000   92.116
LGA    V    53_A      V    53_A     0.115     0    0.032   0.102     0.455  100.000  100.000
LGA    T    54_A      T    54_A     0.060     0    0.045   0.091     0.504  100.000   98.639
LGA    N    55_A      N    55_A     0.268     0    0.098   1.110     2.299  100.000   91.190
LGA    G    56_A      G    56_A     0.294     0    0.050   0.050     0.417  100.000  100.000
LGA    K    57_A      K    57_A     0.194     0    0.037   1.270     5.063  100.000   82.328
LGA    G    58_A      G    58_A     0.300     0    0.030   0.030     0.300  100.000  100.000
LGA    A    59_A      A    59_A     0.281     0    0.144   0.142     0.718   97.619   96.190
LGA    M    60_A      M    60_A     0.185     0    0.025   0.228     0.774  100.000   98.810
LGA    P    61_A      P    61_A     0.335     0    0.043   0.115     0.423  100.000  100.000
LGA    A    62_A      A    62_A     0.269     0    0.069   0.093     0.884   97.619   98.095
LGA    F    63_A      F    63_A     0.175     0    0.079   0.213     0.581   97.619   99.134
LGA    G    64_A      G    64_A     0.524     0    0.067   0.067     1.125   90.595   90.595
LGA    S    65_A      S    65_A     1.024     0    0.146   0.646     3.269   88.214   80.714
LGA    K    66_A      K    66_A     0.725     0    0.135   1.002     3.096   95.238   81.429
LGA    L    67_A      L    67_A     0.511     0    0.036   0.092     0.774   90.476   95.238
LGA    S    68_A      S    68_A     0.658     0    0.055   0.059     0.717   95.238   93.651
LGA    A    69_A      A    69_A     0.348     0    0.035   0.043     0.424  100.000  100.000
LGA    D    70_A      D    70_A     0.475     0    0.054   0.112     1.160  100.000   91.845
LGA    D    71_A      D    71_A     0.198     0    0.023   0.161     0.779  100.000   98.810
LGA    I    72_A      I    72_A     0.166     0    0.018   0.076     0.419  100.000  100.000
LGA    A    73_A      A    73_A     0.192     0    0.026   0.046     0.209  100.000  100.000
LGA    D    74_A      D    74_A     0.177     0    0.018   0.094     0.464  100.000  100.000
LGA    V    75_A      V    75_A     0.128     0    0.022   0.091     0.412  100.000  100.000
LGA    A    76_A      A    76_A     0.116     0    0.025   0.038     0.180  100.000  100.000
LGA    S    77_A      S    77_A     0.107     0    0.030   0.046     0.109  100.000  100.000
LGA    Y    78_A      Y    78_A     0.140     0    0.025   0.099     0.208  100.000  100.000
LGA    V    79_A      V    79_A     0.179     0    0.036   1.200     2.501  100.000   88.844
LGA    L    80_A      L    80_A     0.329     0    0.022   1.136     2.853  100.000   90.238
LGA    D    81_A      D    81_A     0.418     0    0.032   0.574     1.715  100.000   91.905
LGA    Q    82_A      Q    82_A     0.176     0    0.026   1.049     2.791  100.000   92.222
LGA    S    83_A      S    83_A     0.316     0    0.029   0.588     2.502  100.000   91.270
LGA    E    84_A      E    84_A     0.956     0    0.037   0.318     2.633   88.214   77.090
LGA    K    85_A      K    85_A     1.219     0    0.029   0.109     1.650   83.690   79.577
LGA    G    86_A      G    86_A     0.812     0    0.489   0.489     3.084   78.095   78.095
LGA    W    87_A      W    87_A     0.550     0    0.540   0.445     1.904   86.071   96.020
LGA    Q    88_A      Q    88_A     3.079     0    0.108   0.671     6.999   37.381   34.762
LGA    G    89_A      G    89_A     9.092     0    0.732   0.732    10.264    3.690    3.690

# 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):     1.173          1.234                  1.504           94.953   90.188

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   89   89    4.0     88    0.70    97.472    98.541    10.966

LGA_LOCAL      RMSD:   0.702  Number of atoms:   88  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.190  Number of assigned atoms:   89 
Std_ASGN_ATOMS RMSD:   1.173  Standard rmsd on all 89 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.205281 * X  +  -0.298983 * Y  +  -0.931917 * Z  +  32.645611
  Y_new =   0.373932 * X  +   0.855996 * Y  +  -0.356995 * Z  +  -6.157207
  Z_new =   0.904453 * X  +  -0.421758 * Y  +  -0.063921 * Z  + -54.015057 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.072857 -1.130095 -1.721210   [DEG:  118.7660  -64.7497  -98.6181 ]
ZXZ: -1.204964  1.634761  2.007133   [DEG:  -69.0393   93.6649  115.0002 ]
 
# END of job
