
#######################################################
#                                                     #
#                        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        1.12     1.12
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    89       1_A - 89_A        1.12     1.12
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    88       1_A - 88_A        0.63     1.13
  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   21   86   87   88   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      4    8   59   86   88   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      4   83   86   87   88   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     72   84   86   87   88   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     71   84   86   87   88   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     23   84   86   87   88   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     52   84   86   87   88   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     72   84   86   87   88   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     72   84   86   87   88   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     72   84   86   87   88   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     72   84   86   87   88   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     72   84   86   87   88   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     72   84   86   87   88   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     72   84   86   87   88   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     72   84   86   87   88   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     72   84   86   87   88   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     72   84   86   87   88   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     72   84   86   87   88   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     72   84   86   87   88   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     72   84   86   87   88   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     72   84   86   87   88   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     72   84   86   87   88   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     72   84   86   87   88   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     72   84   86   87   88   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     72   84   86   87   88   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     72   84   86   87   88   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     72   84   86   87   88   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     66   84   86   87   88   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     58   84   86   87   88   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     65   84   86   87   88   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     72   84   86   87   88   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     72   84   86   87   88   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     72   84   86   87   88   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     72   84   86   87   88   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     72   84   86   87   88   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     72   84   86   87   88   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     72   84   86   87   88   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     72   84   86   87   88   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     72   84   86   87   88   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     72   84   86   87   88   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     72   84   86   87   88   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     72   84   86   87   88   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     72   84   86   87   88   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     72   84   86   87   88   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     72   84   86   87   88   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     72   84   86   87   88   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     65   84   86   87   88   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     72   84   86   87   88   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     72   84   86   87   88   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     72   84   86   87   88   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     72   84   86   87   88   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     72   84   86   87   88   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     72   84   86   87   88   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     72   84   86   87   88   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     72   84   86   87   88   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     72   84   86   87   88   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     72   84   86   87   88   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     72   84   86   87   88   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     72   84   86   87   88   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     72   84   86   87   88   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     72   84   86   87   88   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     72   84   86   87   88   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     72   84   86   87   88   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     72   84   86   87   88   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     63   84   86   87   88   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     72   84   86   87   88   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     72   84   86   87   88   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     71   84   86   87   88   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     72   84   86   87   88   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     72   84   86   87   88   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     72   84   86   87   88   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     72   84   86   87   88   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     72   84   86   87   88   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     72   84   86   87   88   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     72   84   86   87   88   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     72   84   86   87   88   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     72   84   86   87   88   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     72   84   86   87   88   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     72   84   86   87   88   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     72   84   86   87   88   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     72   84   86   87   88   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     72   84   86   87   88   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     72   84   86   87   88   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     71   84   86   87   88   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     67   84   86   87   88   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     64   84   86   87   88   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     72   84   86   87   88   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      3    5   65   87   88   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    4    6    7    8   17   21   35   66   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     72     84     86     87     88     88     88     88     88     88     89     89     89     89     89     89     89     89     89     89 
GDT PERCENT_AT  80.90  94.38  96.63  97.75  98.88  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    0.31   0.38   0.45   0.55   0.63   0.63   0.63   0.63   0.63   0.63   1.12   1.12   1.12   1.12   1.12   1.12   1.12   1.12   1.12   1.12
GDT RMS_ALL_AT   1.14   1.15   1.15   1.14   1.13   1.13   1.13   1.13   1.13   1.13   1.12   1.12   1.12   1.12   1.12   1.12   1.12   1.12   1.12   1.12

# 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     1.790     0    0.168   0.168     2.575   66.905   66.905
LGA    S     2_A      S     2_A     2.841     0    0.087   0.618     5.763   69.048   55.794
LGA    A     3_A      A     3_A     1.118     0    0.266   0.256     1.873   79.405   78.095
LGA    D     4_A      D     4_A     0.426     0    0.072   0.168     0.918  100.000   95.238
LGA    L     5_A      L     5_A     0.608     0    0.106   1.150     2.972   90.476   84.107
LGA    A     6_A      A     6_A     1.147     0    0.059   0.062     1.507   88.214   85.143
LGA    H     7_A      H     7_A     0.747     0    0.031   1.134     2.509   95.238   83.810
LGA    G     8_A      G     8_A     0.247     0    0.007   0.007     0.371  100.000  100.000
LGA    G     9_A      G     9_A     0.419     0    0.023   0.023     0.419  100.000  100.000
LGA    Q    10_A      Q    10_A     0.328     0    0.023   0.443     1.572  100.000   92.804
LGA    V    11_A      V    11_A     0.338     0    0.022   0.070     0.492  100.000  100.000
LGA    F    12_A      F    12_A     0.249     0    0.008   0.065     0.314  100.000  100.000
LGA    S    13_A      S    13_A     0.282     0    0.032   0.519     1.894   97.619   93.889
LGA    A    14_A      A    14_A     0.398     0    0.018   0.028     0.450  100.000  100.000
LGA    N    15_A      N    15_A     0.461     0    0.026   0.059     0.614  100.000   96.429
LGA    C    16_A      C    16_A     0.268     0    0.030   0.038     0.293  100.000  100.000
LGA    A    17_A      A    17_A     0.183     0    0.029   0.044     0.250  100.000  100.000
LGA    A    18_A      A    18_A     0.209     0    0.018   0.021     0.223  100.000  100.000
LGA    C    19_A      C    19_A     0.180     0    0.043   0.053     0.423  100.000  100.000
LGA    H    20_A      H    20_A     0.198     0    0.037   0.057     0.314  100.000  100.000
LGA    L    21_A      L    21_A     0.164     0    0.031   0.162     1.094  100.000   95.298
LGA    G    22_A      G    22_A     0.294     0    0.033   0.033     0.313  100.000  100.000
LGA    G    23_A      G    23_A     0.255     0    0.028   0.028     0.314  100.000  100.000
LGA    R    24_A      R    24_A     0.259     0    0.025   1.128     2.875  100.000   88.658
LGA    N    25_A      N    25_A     0.257     0    0.020   0.099     0.402  100.000  100.000
LGA    V    26_A      V    26_A     0.343     0    0.013   1.266     2.986  100.000   88.844
LGA    V    27_A      V    27_A     0.298     0    0.035   1.376     2.705  100.000   87.483
LGA    N    28_A      N    28_A     0.568     0    0.035   0.801     3.547   92.857   78.690
LGA    P    29_A      P    29_A     0.764     0    0.087   0.118     1.194   90.476   89.184
LGA    A    30_A      A    30_A     0.537     0    0.031   0.029     0.920   92.857   92.381
LGA    K    31_A      K    31_A     0.379     0    0.032   1.156     4.114  100.000   84.286
LGA    T    32_A      T    32_A     0.050     0    0.014   0.043     0.231  100.000  100.000
LGA    L    33_A      L    33_A     0.147     0    0.023   0.084     0.158  100.000  100.000
LGA    Q    34_A      Q    34_A     0.236     0    0.015   0.994     4.307  100.000   83.492
LGA    K    35_A      K    35_A     0.475     0    0.010   0.696     2.809  100.000   91.005
LGA    A    36_A      A    36_A     0.512     0    0.020   0.021     0.656   95.238   94.286
LGA    D    37_A      D    37_A     0.235     0    0.009   0.164     0.787  100.000   98.810
LGA    L    38_A      L    38_A     0.279     0    0.024   0.118     0.496  100.000  100.000
LGA    D    39_A      D    39_A     0.513     0    0.030   0.395     1.062   92.857   91.726
LGA    Q    40_A      Q    40_A     0.457     0    0.065   1.070     2.737   95.238   90.106
LGA    Y    41_A      Y    41_A     0.392     0    0.022   0.176     1.574  100.000   90.714
LGA    G    42_A      G    42_A     0.407     0    0.029   0.029     0.533   97.619   97.619
LGA    M    43_A      M    43_A     0.545     0    0.046   0.110     0.779   92.857   95.238
LGA    A    44_A      A    44_A     0.543     0    0.009   0.027     0.667   95.238   94.286
LGA    S    45_A      S    45_A     0.277     0    0.016   0.033     0.301  100.000  100.000
LGA    I    46_A      I    46_A     0.220     0    0.031   0.166     0.617  100.000   98.810
LGA    E    47_A      E    47_A     0.550     0    0.049   0.267     2.967   97.619   83.228
LGA    A    48_A      A    48_A     0.331     0    0.034   0.038     0.378  100.000  100.000
LGA    I    49_A      I    49_A     0.294     0    0.022   0.037     0.342  100.000  100.000
LGA    T    50_A      T    50_A     0.315     0    0.026   1.127     2.410  100.000   88.571
LGA    T    51_A      T    51_A     0.243     0    0.010   1.185     2.626  100.000   88.844
LGA    Q    52_A      Q    52_A     0.206     0    0.021   0.321     0.708  100.000   97.884
LGA    V    53_A      V    53_A     0.167     0    0.013   0.044     0.223  100.000  100.000
LGA    T    54_A      T    54_A     0.191     0    0.029   0.080     0.409  100.000  100.000
LGA    N    55_A      N    55_A     0.313     0    0.026   0.988     2.113  100.000   91.190
LGA    G    56_A      G    56_A     0.451     0    0.030   0.030     0.451  100.000  100.000
LGA    K    57_A      K    57_A     0.291     0    0.032   0.165     0.955  100.000   97.884
LGA    G    58_A      G    58_A     0.335     0    0.392   0.392     3.580   81.190   81.190
LGA    A    59_A      A    59_A     0.287     0    0.066   0.103     0.535   97.619   98.095
LGA    M    60_A      M    60_A     0.328     0    0.006   0.095     0.413  100.000  100.000
LGA    P    61_A      P    61_A     0.356     0    0.030   0.080     0.396  100.000  100.000
LGA    A    62_A      A    62_A     0.363     0    0.024   0.027     0.596   97.619   96.190
LGA    F    63_A      F    63_A     0.077     0    0.020   0.079     0.283  100.000  100.000
LGA    G    64_A      G    64_A     0.533     0    0.045   0.045     0.988   92.857   92.857
LGA    S    65_A      S    65_A     0.836     0    0.129   0.653     3.516   92.857   82.698
LGA    K    66_A      K    66_A     0.549     0    0.074   0.853     2.246   95.238   86.772
LGA    L    67_A      L    67_A     0.497     0    0.015   0.082     0.649   92.857   96.429
LGA    S    68_A      S    68_A     0.626     0    0.024   0.043     0.752   95.238   93.651
LGA    A    69_A      A    69_A     0.451     0    0.022   0.029     0.530   97.619   96.190
LGA    D    70_A      D    70_A     0.560     0    0.022   1.249     4.284   97.619   82.976
LGA    D    71_A      D    71_A     0.146     0    0.022   0.284     1.195  100.000   96.488
LGA    I    72_A      I    72_A     0.235     0    0.013   0.050     0.375  100.000  100.000
LGA    A    73_A      A    73_A     0.241     0    0.017   0.027     0.241  100.000  100.000
LGA    D    74_A      D    74_A     0.188     0    0.009   0.101     0.697  100.000   98.810
LGA    V    75_A      V    75_A     0.138     0    0.008   0.026     0.143  100.000  100.000
LGA    A    76_A      A    76_A     0.163     0    0.012   0.012     0.195  100.000  100.000
LGA    S    77_A      S    77_A     0.106     0    0.009   0.668     2.093  100.000   94.127
LGA    Y    78_A      Y    78_A     0.115     0    0.022   0.065     0.138  100.000  100.000
LGA    V    79_A      V    79_A     0.027     0    0.015   0.043     0.137  100.000  100.000
LGA    L    80_A      L    80_A     0.138     0    0.017   0.309     1.366  100.000   95.298
LGA    D    81_A      D    81_A     0.148     0    0.024   0.118     0.570  100.000   98.810
LGA    Q    82_A      Q    82_A     0.108     0    0.018   1.044     2.877  100.000   92.222
LGA    S    83_A      S    83_A     0.161     0    0.020   0.215     1.101  100.000   96.905
LGA    E    84_A      E    84_A     0.527     0    0.023   0.822     4.523   95.238   81.217
LGA    K    85_A      K    85_A     0.629     0    0.091   0.708     2.904   92.857   84.127
LGA    G    86_A      G    86_A     0.570     0    0.510   0.510     3.085   80.476   80.476
LGA    W    87_A      W    87_A     0.333     0    0.560   0.418     1.477   90.595   97.313
LGA    Q    88_A      Q    88_A     2.990     0    0.034   0.517     7.990   38.333   32.963
LGA    G    89_A      G    89_A     8.937     0    0.694   0.694    10.920    5.000    5.000

# 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):     1.118          1.248                  1.366           95.202   91.815

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   89   89    4.0     88    0.63    97.753    98.778    12.084

LGA_LOCAL      RMSD:   0.628  Number of atoms:   88  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.135  Number of assigned atoms:   89 
Std_ASGN_ATOMS RMSD:   1.118  Standard rmsd on all 89 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.370050 * X  +   0.108426 * Y  +   0.922663 * Z  + -15.911650
  Y_new =  -0.119131 * X  +  -0.979428 * Y  +   0.162876 * Z  + -18.300266
  Z_new =   0.921342 * X  +  -0.170190 * Y  +  -0.349520 * Z  + -15.764157 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.311455 -1.171519 -2.688459   [DEG:  -17.8451  -67.1231 -154.0374 ]
ZXZ:  1.745525  1.927855  1.753457   [DEG:  100.0112  110.4580  100.4657 ]
 
# END of job
