
#######################################################
#                                                     #
#                        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        1.21     1.21
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    89       1_A - 89_A        1.21     1.21
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    88       1_A - 88_A        0.85     1.22
  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      0    3    6    7   12   38   66   80   88   88   88   88   89   89   89   89   89   89   89   89 
LCS_GDT     S     2_A     S     2_A     88   89   89      4   25   78   87   87   87   87   87   88   88   88   88   89   89   89   89   89   89   89   89 
LCS_GDT     A     3_A     A     3_A     88   89   89     56   84   85   87   87   87   87   87   88   88   88   88   89   89   89   89   89   89   89   89 
LCS_GDT     D     4_A     D     4_A     88   89   89     71   84   85   87   87   87   87   87   88   88   88   88   89   89   89   89   89   89   89   89 
LCS_GDT     L     5_A     L     5_A     88   89   89     71   84   85   87   87   87   87   87   88   88   88   88   89   89   89   89   89   89   89   89 
LCS_GDT     A     6_A     A     6_A     88   89   89     23   83   85   87   87   87   87   87   88   88   88   88   89   89   89   89   89   89   89   89 
LCS_GDT     H     7_A     H     7_A     88   89   89     53   84   85   87   87   87   87   87   88   88   88   88   89   89   89   89   89   89   89   89 
LCS_GDT     G     8_A     G     8_A     88   89   89     71   84   85   87   87   87   87   87   88   88   88   88   89   89   89   89   89   89   89   89 
LCS_GDT     G     9_A     G     9_A     88   89   89     71   84   85   87   87   87   87   87   88   88   88   88   89   89   89   89   89   89   89   89 
LCS_GDT     Q    10_A     Q    10_A     88   89   89     71   84   85   87   87   87   87   87   88   88   88   88   89   89   89   89   89   89   89   89 
LCS_GDT     V    11_A     V    11_A     88   89   89     71   84   85   87   87   87   87   87   88   88   88   88   89   89   89   89   89   89   89   89 
LCS_GDT     F    12_A     F    12_A     88   89   89     71   84   85   87   87   87   87   87   88   88   88   88   89   89   89   89   89   89   89   89 
LCS_GDT     S    13_A     S    13_A     88   89   89     71   84   85   87   87   87   87   87   88   88   88   88   89   89   89   89   89   89   89   89 
LCS_GDT     A    14_A     A    14_A     88   89   89     71   84   85   87   87   87   87   87   88   88   88   88   89   89   89   89   89   89   89   89 
LCS_GDT     N    15_A     N    15_A     88   89   89     71   84   85   87   87   87   87   87   88   88   88   88   89   89   89   89   89   89   89   89 
LCS_GDT     C    16_A     C    16_A     88   89   89     71   84   85   87   87   87   87   87   88   88   88   88   89   89   89   89   89   89   89   89 
LCS_GDT     A    17_A     A    17_A     88   89   89     71   84   85   87   87   87   87   87   88   88   88   88   89   89   89   89   89   89   89   89 
LCS_GDT     A    18_A     A    18_A     88   89   89     71   84   85   87   87   87   87   87   88   88   88   88   89   89   89   89   89   89   89   89 
LCS_GDT     C    19_A     C    19_A     88   89   89     71   84   85   87   87   87   87   87   88   88   88   88   89   89   89   89   89   89   89   89 
LCS_GDT     H    20_A     H    20_A     88   89   89     71   84   85   87   87   87   87   87   88   88   88   88   89   89   89   89   89   89   89   89 
LCS_GDT     L    21_A     L    21_A     88   89   89     71   84   85   87   87   87   87   87   88   88   88   88   89   89   89   89   89   89   89   89 
LCS_GDT     G    22_A     G    22_A     88   89   89     71   84   85   87   87   87   87   87   88   88   88   88   89   89   89   89   89   89   89   89 
LCS_GDT     G    23_A     G    23_A     88   89   89     71   84   85   87   87   87   87   87   88   88   88   88   89   89   89   89   89   89   89   89 
LCS_GDT     R    24_A     R    24_A     88   89   89     71   84   85   87   87   87   87   87   88   88   88   88   89   89   89   89   89   89   89   89 
LCS_GDT     N    25_A     N    25_A     88   89   89     71   84   85   87   87   87   87   87   88   88   88   88   89   89   89   89   89   89   89   89 
LCS_GDT     V    26_A     V    26_A     88   89   89     71   84   85   87   87   87   87   87   88   88   88   88   89   89   89   89   89   89   89   89 
LCS_GDT     V    27_A     V    27_A     88   89   89     71   84   85   87   87   87   87   87   88   88   88   88   89   89   89   89   89   89   89   89 
LCS_GDT     N    28_A     N    28_A     88   89   89     70   84   85   87   87   87   87   87   88   88   88   88   89   89   89   89   89   89   89   89 
LCS_GDT     P    29_A     P    29_A     88   89   89     38   84   85   87   87   87   87   87   88   88   88   88   89   89   89   89   89   89   89   89 
LCS_GDT     A    30_A     A    30_A     88   89   89     62   84   85   87   87   87   87   87   88   88   88   88   89   89   89   89   89   89   89   89 
LCS_GDT     K    31_A     K    31_A     88   89   89     71   84   85   87   87   87   87   87   88   88   88   88   89   89   89   89   89   89   89   89 
LCS_GDT     T    32_A     T    32_A     88   89   89     71   84   85   87   87   87   87   87   88   88   88   88   89   89   89   89   89   89   89   89 
LCS_GDT     L    33_A     L    33_A     88   89   89     71   84   85   87   87   87   87   87   88   88   88   88   89   89   89   89   89   89   89   89 
LCS_GDT     Q    34_A     Q    34_A     88   89   89     71   84   85   87   87   87   87   87   88   88   88   88   89   89   89   89   89   89   89   89 
LCS_GDT     K    35_A     K    35_A     88   89   89     71   84   85   87   87   87   87   87   88   88   88   88   89   89   89   89   89   89   89   89 
LCS_GDT     A    36_A     A    36_A     88   89   89     71   84   85   87   87   87   87   87   88   88   88   88   89   89   89   89   89   89   89   89 
LCS_GDT     D    37_A     D    37_A     88   89   89     71   84   85   87   87   87   87   87   88   88   88   88   89   89   89   89   89   89   89   89 
LCS_GDT     L    38_A     L    38_A     88   89   89     71   84   85   87   87   87   87   87   88   88   88   88   89   89   89   89   89   89   89   89 
LCS_GDT     D    39_A     D    39_A     88   89   89     70   84   85   87   87   87   87   87   88   88   88   88   89   89   89   89   89   89   89   89 
LCS_GDT     Q    40_A     Q    40_A     88   89   89     70   84   85   87   87   87   87   87   88   88   88   88   89   89   89   89   89   89   89   89 
LCS_GDT     Y    41_A     Y    41_A     88   89   89     71   84   85   87   87   87   87   87   88   88   88   88   89   89   89   89   89   89   89   89 
LCS_GDT     G    42_A     G    42_A     88   89   89     71   84   85   87   87   87   87   87   88   88   88   88   89   89   89   89   89   89   89   89 
LCS_GDT     M    43_A     M    43_A     88   89   89     38   84   85   87   87   87   87   87   88   88   88   88   89   89   89   89   89   89   89   89 
LCS_GDT     A    44_A     A    44_A     88   89   89     62   84   85   87   87   87   87   87   88   88   88   88   89   89   89   89   89   89   89   89 
LCS_GDT     S    45_A     S    45_A     88   89   89     71   84   85   87   87   87   87   87   88   88   88   88   89   89   89   89   89   89   89   89 
LCS_GDT     I    46_A     I    46_A     88   89   89     71   84   85   87   87   87   87   87   88   88   88   88   89   89   89   89   89   89   89   89 
LCS_GDT     E    47_A     E    47_A     88   89   89     63   84   85   87   87   87   87   87   88   88   88   88   89   89   89   89   89   89   89   89 
LCS_GDT     A    48_A     A    48_A     88   89   89     71   84   85   87   87   87   87   87   88   88   88   88   89   89   89   89   89   89   89   89 
LCS_GDT     I    49_A     I    49_A     88   89   89     71   84   85   87   87   87   87   87   88   88   88   88   89   89   89   89   89   89   89   89 
LCS_GDT     T    50_A     T    50_A     88   89   89     71   84   85   87   87   87   87   87   88   88   88   88   89   89   89   89   89   89   89   89 
LCS_GDT     T    51_A     T    51_A     88   89   89     71   84   85   87   87   87   87   87   88   88   88   88   89   89   89   89   89   89   89   89 
LCS_GDT     Q    52_A     Q    52_A     88   89   89     71   84   85   87   87   87   87   87   88   88   88   88   89   89   89   89   89   89   89   89 
LCS_GDT     V    53_A     V    53_A     88   89   89     71   84   85   87   87   87   87   87   88   88   88   88   89   89   89   89   89   89   89   89 
LCS_GDT     T    54_A     T    54_A     88   89   89     71   84   85   87   87   87   87   87   88   88   88   88   89   89   89   89   89   89   89   89 
LCS_GDT     N    55_A     N    55_A     88   89   89     71   84   85   87   87   87   87   87   88   88   88   88   89   89   89   89   89   89   89   89 
LCS_GDT     G    56_A     G    56_A     88   89   89     71   84   85   87   87   87   87   87   88   88   88   88   89   89   89   89   89   89   89   89 
LCS_GDT     K    57_A     K    57_A     88   89   89     71   84   85   87   87   87   87   87   88   88   88   88   89   89   89   89   89   89   89   89 
LCS_GDT     G    58_A     G    58_A     88   89   89     71   84   85   87   87   87   87   87   88   88   88   88   89   89   89   89   89   89   89   89 
LCS_GDT     A    59_A     A    59_A     88   89   89     71   84   85   87   87   87   87   87   88   88   88   88   89   89   89   89   89   89   89   89 
LCS_GDT     M    60_A     M    60_A     88   89   89     71   84   85   87   87   87   87   87   88   88   88   88   89   89   89   89   89   89   89   89 
LCS_GDT     P    61_A     P    61_A     88   89   89     71   84   85   87   87   87   87   87   88   88   88   88   89   89   89   89   89   89   89   89 
LCS_GDT     A    62_A     A    62_A     88   89   89     71   84   85   87   87   87   87   87   88   88   88   88   89   89   89   89   89   89   89   89 
LCS_GDT     F    63_A     F    63_A     88   89   89     71   84   85   87   87   87   87   87   88   88   88   88   89   89   89   89   89   89   89   89 
LCS_GDT     G    64_A     G    64_A     88   89   89     71   84   85   87   87   87   87   87   88   88   88   88   89   89   89   89   89   89   89   89 
LCS_GDT     S    65_A     S    65_A     88   89   89     56   84   85   87   87   87   87   87   88   88   88   88   89   89   89   89   89   89   89   89 
LCS_GDT     K    66_A     K    66_A     88   89   89     71   84   85   87   87   87   87   87   88   88   88   88   89   89   89   89   89   89   89   89 
LCS_GDT     L    67_A     L    67_A     88   89   89     71   84   85   87   87   87   87   87   88   88   88   88   89   89   89   89   89   89   89   89 
LCS_GDT     S    68_A     S    68_A     88   89   89     71   84   85   87   87   87   87   87   88   88   88   88   89   89   89   89   89   89   89   89 
LCS_GDT     A    69_A     A    69_A     88   89   89     71   84   85   87   87   87   87   87   88   88   88   88   89   89   89   89   89   89   89   89 
LCS_GDT     D    70_A     D    70_A     88   89   89     71   84   85   87   87   87   87   87   88   88   88   88   89   89   89   89   89   89   89   89 
LCS_GDT     D    71_A     D    71_A     88   89   89     71   84   85   87   87   87   87   87   88   88   88   88   89   89   89   89   89   89   89   89 
LCS_GDT     I    72_A     I    72_A     88   89   89     71   84   85   87   87   87   87   87   88   88   88   88   89   89   89   89   89   89   89   89 
LCS_GDT     A    73_A     A    73_A     88   89   89     71   84   85   87   87   87   87   87   88   88   88   88   89   89   89   89   89   89   89   89 
LCS_GDT     D    74_A     D    74_A     88   89   89     71   84   85   87   87   87   87   87   88   88   88   88   89   89   89   89   89   89   89   89 
LCS_GDT     V    75_A     V    75_A     88   89   89     71   84   85   87   87   87   87   87   88   88   88   88   89   89   89   89   89   89   89   89 
LCS_GDT     A    76_A     A    76_A     88   89   89     71   84   85   87   87   87   87   87   88   88   88   88   89   89   89   89   89   89   89   89 
LCS_GDT     S    77_A     S    77_A     88   89   89     71   84   85   87   87   87   87   87   88   88   88   88   89   89   89   89   89   89   89   89 
LCS_GDT     Y    78_A     Y    78_A     88   89   89     71   84   85   87   87   87   87   87   88   88   88   88   89   89   89   89   89   89   89   89 
LCS_GDT     V    79_A     V    79_A     88   89   89     71   84   85   87   87   87   87   87   88   88   88   88   89   89   89   89   89   89   89   89 
LCS_GDT     L    80_A     L    80_A     88   89   89     71   84   85   87   87   87   87   87   88   88   88   88   89   89   89   89   89   89   89   89 
LCS_GDT     D    81_A     D    81_A     88   89   89     71   84   85   87   87   87   87   87   88   88   88   88   89   89   89   89   89   89   89   89 
LCS_GDT     Q    82_A     Q    82_A     88   89   89     71   84   85   87   87   87   87   87   88   88   88   88   89   89   89   89   89   89   89   89 
LCS_GDT     S    83_A     S    83_A     88   89   89     71   84   85   87   87   87   87   87   88   88   88   88   89   89   89   89   89   89   89   89 
LCS_GDT     E    84_A     E    84_A     88   89   89     71   84   85   87   87   87   87   87   88   88   88   88   89   89   89   89   89   89   89   89 
LCS_GDT     K    85_A     K    85_A     88   89   89     64   84   85   87   87   87   87   87   88   88   88   88   89   89   89   89   89   89   89   89 
LCS_GDT     G    86_A     G    86_A     88   89   89     70   84   85   87   87   87   87   87   88   88   88   88   89   89   89   89   89   89   89   89 
LCS_GDT     W    87_A     W    87_A     88   89   89     71   84   85   87   87   87   87   87   88   88   88   88   89   89   89   89   89   89   89   89 
LCS_GDT     Q    88_A     Q    88_A     88   89   89      3   31   64   87   87   87   87   87   88   88   88   88   89   89   89   89   89   89   89   89 
LCS_GDT     G    89_A     G    89_A     87   89   89      3    3    3    3    3   15   17   20   24   85   88   88   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     71     84     85     87     87     87     87     87     88     88     88     88     89     89     89     89     89     89     89     89 
GDT PERCENT_AT  79.78  94.38  95.51  97.75  97.75  97.75  97.75  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
GDT RMS_LOCAL    0.30   0.38   0.40   0.56   0.56   0.56   0.56   0.56   0.85   0.85   0.85   0.85   1.21   1.21   1.21   1.21   1.21   1.21   1.21   1.21
GDT RMS_ALL_AT   1.23   1.23   1.23   1.22   1.22   1.22   1.22   1.22   1.22   1.22   1.22   1.22   1.21   1.21   1.21   1.21   1.21   1.21   1.21   1.21

# Checking swapping
#   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     6.188     0    0.045   0.045     7.273   26.905   26.905
LGA    S     2_A      S     2_A     2.291     0    0.651   0.652     5.681   65.595   53.492
LGA    A     3_A      A     3_A     0.975     0    0.249   0.240     1.703   81.667   79.905
LGA    D     4_A      D     4_A     0.391     0    0.072   0.164     0.943  100.000   95.238
LGA    L     5_A      L     5_A     0.569     0    0.101   1.149     2.688   92.857   83.155
LGA    A     6_A      A     6_A     1.153     0    0.069   0.075     1.518   88.214   85.143
LGA    H     7_A      H     7_A     0.714     0    0.028   0.866     3.984   95.238   78.476
LGA    G     8_A      G     8_A     0.208     0    0.008   0.008     0.332  100.000  100.000
LGA    G     9_A      G     9_A     0.407     0    0.025   0.025     0.407  100.000  100.000
LGA    Q    10_A      Q    10_A     0.305     0    0.021   0.452     1.494  100.000   93.757
LGA    V    11_A      V    11_A     0.314     0    0.020   1.156     2.457  100.000   89.932
LGA    F    12_A      F    12_A     0.227     0    0.022   0.065     0.311  100.000  100.000
LGA    S    13_A      S    13_A     0.297     0    0.028   0.508     1.864   97.619   93.889
LGA    A    14_A      A    14_A     0.410     0    0.016   0.025     0.457  100.000  100.000
LGA    N    15_A      N    15_A     0.451     0    0.022   0.059     0.626  100.000   96.429
LGA    C    16_A      C    16_A     0.269     0    0.029   0.034     0.295  100.000  100.000
LGA    A    17_A      A    17_A     0.189     0    0.029   0.042     0.254  100.000  100.000
LGA    A    18_A      A    18_A     0.212     0    0.018   0.022     0.229  100.000  100.000
LGA    C    19_A      C    19_A     0.192     0    0.045   0.055     0.445  100.000  100.000
LGA    H    20_A      H    20_A     0.212     0    0.037   0.056     0.330  100.000  100.000
LGA    L    21_A      L    21_A     0.186     0    0.030   0.089     0.682  100.000   98.810
LGA    G    22_A      G    22_A     0.321     0    0.034   0.034     0.331  100.000  100.000
LGA    G    23_A      G    23_A     0.278     0    0.028   0.028     0.331  100.000  100.000
LGA    R    24_A      R    24_A     0.285     0    0.024   1.135     2.978  100.000   88.658
LGA    N    25_A      N    25_A     0.283     0    0.020   0.101     0.425  100.000  100.000
LGA    V    26_A      V    26_A     0.354     0    0.017   1.266     2.993  100.000   88.844
LGA    V    27_A      V    27_A     0.328     0    0.033   1.269     2.516  100.000   87.483
LGA    N    28_A      N    28_A     0.587     0    0.034   0.822     3.695   92.857   76.905
LGA    P    29_A      P    29_A     0.868     0    0.769   0.827     3.877   74.286   79.932
LGA    A    30_A      A    30_A     0.554     0    0.081   0.077     0.902   92.857   92.381
LGA    K    31_A      K    31_A     0.390     0    0.032   1.137     4.019  100.000   84.286
LGA    T    32_A      T    32_A     0.077     0    0.015   0.038     0.250  100.000  100.000
LGA    L    33_A      L    33_A     0.163     0    0.024   0.083     0.164  100.000  100.000
LGA    Q    34_A      Q    34_A     0.199     0    0.014   0.990     4.249  100.000   84.339
LGA    K    35_A      K    35_A     0.421     0    0.011   0.715     2.924  100.000   91.005
LGA    A    36_A      A    36_A     0.460     0    0.020   0.023     0.598  100.000   98.095
LGA    D    37_A      D    37_A     0.256     0    0.012   0.146     0.709  100.000   98.810
LGA    L    38_A      L    38_A     0.316     0    0.022   0.119     0.545   97.619   98.810
LGA    D    39_A      D    39_A     0.527     0    0.028   0.232     0.749   92.857   94.048
LGA    Q    40_A      Q    40_A     0.493     0    0.067   1.070     2.620   95.238   90.106
LGA    Y    41_A      Y    41_A     0.430     0    0.022   0.188     1.668  100.000   90.714
LGA    G    42_A      G    42_A     0.439     0    0.031   0.031     0.550   97.619   97.619
LGA    M    43_A      M    43_A     0.543     0    0.045   0.108     0.777   92.857   95.238
LGA    A    44_A      A    44_A     0.555     0    0.010   0.028     0.674   95.238   94.286
LGA    S    45_A      S    45_A     0.299     0    0.018   0.035     0.314  100.000  100.000
LGA    I    46_A      I    46_A     0.262     0    0.029   0.149     0.463  100.000  100.000
LGA    E    47_A      E    47_A     0.583     0    0.047   0.260     2.911   95.238   82.169
LGA    A    48_A      A    48_A     0.327     0    0.034   0.038     0.373  100.000  100.000
LGA    I    49_A      I    49_A     0.322     0    0.022   0.038     0.378  100.000  100.000
LGA    T    50_A      T    50_A     0.351     0    0.025   1.124     2.370  100.000   88.571
LGA    T    51_A      T    51_A     0.281     0    0.012   1.187     2.652  100.000   87.755
LGA    Q    52_A      Q    52_A     0.231     0    0.021   0.344     0.854  100.000   97.884
LGA    V    53_A      V    53_A     0.197     0    0.013   0.046     0.252  100.000  100.000
LGA    T    54_A      T    54_A     0.222     0    0.027   0.082     0.431  100.000  100.000
LGA    N    55_A      N    55_A     0.331     0    0.029   0.206     0.883  100.000   98.810
LGA    G    56_A      G    56_A     0.458     0    0.039   0.039     0.458  100.000  100.000
LGA    K    57_A      K    57_A     0.277     0    0.034   0.209     0.733  100.000   98.942
LGA    G    58_A      G    58_A     0.357     0    0.039   0.039     0.357  100.000  100.000
LGA    A    59_A      A    59_A     0.282     0    0.020   0.036     0.342  100.000  100.000
LGA    M    60_A      M    60_A     0.316     0    0.011   0.092     0.373  100.000  100.000
LGA    P    61_A      P    61_A     0.353     0    0.028   0.073     0.359  100.000  100.000
LGA    A    62_A      A    62_A     0.367     0    0.024   0.027     0.584   97.619   96.190
LGA    F    63_A      F    63_A     0.077     0    0.019   0.082     0.244  100.000  100.000
LGA    G    64_A      G    64_A     0.495     0    0.043   0.043     0.951   95.238   95.238
LGA    S    65_A      S    65_A     0.809     0    0.132   0.628     3.419   90.476   82.222
LGA    K    66_A      K    66_A     0.533     0    0.075   0.700     1.807   95.238   88.624
LGA    L    67_A      L    67_A     0.493     0    0.015   0.095     0.621   92.857   95.238
LGA    S    68_A      S    68_A     0.583     0    0.024   0.045     0.702   95.238   93.651
LGA    A    69_A      A    69_A     0.401     0    0.021   0.024     0.485  100.000  100.000
LGA    D    70_A      D    70_A     0.506     0    0.032   0.331     0.940   97.619   94.048
LGA    D    71_A      D    71_A     0.099     0    0.022   0.339     1.596  100.000   95.417
LGA    I    72_A      I    72_A     0.194     0    0.015   0.053     0.386  100.000  100.000
LGA    A    73_A      A    73_A     0.193     0    0.017   0.028     0.193  100.000  100.000
LGA    D    74_A      D    74_A     0.135     0    0.009   0.101     0.712  100.000   98.810
LGA    V    75_A      V    75_A     0.092     0    0.009   0.025     0.110  100.000  100.000
LGA    A    76_A      A    76_A     0.116     0    0.011   0.011     0.140  100.000  100.000
LGA    S    77_A      S    77_A     0.082     0    0.007   0.687     2.464  100.000   94.127
LGA    Y    78_A      Y    78_A     0.068     0    0.022   0.063     0.131  100.000  100.000
LGA    V    79_A      V    79_A     0.037     0    0.017   0.042     0.155  100.000  100.000
LGA    L    80_A      L    80_A     0.114     0    0.010   0.264     1.018  100.000   95.298
LGA    D    81_A      D    81_A     0.125     0    0.026   0.138     0.691  100.000   97.619
LGA    Q    82_A      Q    82_A     0.069     0    0.014   1.047     2.915  100.000   92.222
LGA    S    83_A      S    83_A     0.151     0    0.020   0.223     1.136  100.000   96.905
LGA    E    84_A      E    84_A     0.515     0    0.023   0.706     3.422   95.238   76.190
LGA    K    85_A      K    85_A     0.654     0    0.093   0.660     2.643   88.214   82.063
LGA    G    86_A      G    86_A     0.607     0    0.507   0.507     3.089   80.476   80.476
LGA    W    87_A      W    87_A     0.285     0    0.518   0.386     1.294   90.595   97.313
LGA    Q    88_A      Q    88_A     2.753     0    0.299   0.958     6.657   47.619   37.566
LGA    G    89_A      G    89_A     8.176     0    0.683   0.683     9.072    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):     1.207          1.236                  1.336           94.918   91.647

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   89   89    4.0     87    0.56    97.472    98.344    13.225

LGA_LOCAL      RMSD:   0.558  Number of atoms:   87  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.219  Number of assigned atoms:   89 
Std_ASGN_ATOMS RMSD:   1.207  Standard rmsd on all 89 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.016925 * X  +  -0.316870 * Y  +   0.948318 * Z  + -12.870781
  Y_new =  -0.109586 * X  +  -0.942152 * Y  +  -0.316766 * Z  + -16.910286
  Z_new =   0.993833 * X  +  -0.109283 * Y  +  -0.018779 * Z  + -18.107370 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.724030 -1.459683 -1.740968   [DEG:  -98.7797  -83.6337  -99.7501 ]
ZXZ:  1.248420  1.589576  1.680318   [DEG:   71.5292   91.0760   96.2751 ]
 
# END of job
