
#######################################################
#                                                     #
#                        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   90 (  747),  selected   86 , name one
# Molecule2: number of CA atoms   86 (  717),  selected   86 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    86       5_B - 90_B        0.99     0.99
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    86       5_B - 90_B        0.99     0.99
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    86       5_B - 90_B        0.99     0.99
  LCS_AVERAGE:    100.00

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   86
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     K     5_B     K     5_B     86   86   86      4    6   16   72   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     P     6_B     P     6_B     86   86   86      4    6   10   79   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N     7_B     N     7_B     86   86   86     16   63   79   82   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E     8_B     E     8_B     86   86   86     27   69   79   82   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I     9_B     I     9_B     86   86   86     27   69   79   82   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    10_B     V    10_B     86   86   86     27   69   79   82   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    11_B     I    11_B     86   86   86     44   69   79   82   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     T    12_B     T    12_B     86   86   86     27   69   79   82   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    13_B     K    13_B     86   86   86     29   69   78   82   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    14_B     S    14_B     86   86   86     29   59   78   82   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    15_B     K    15_B     86   86   86     27   69   79   82   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    16_B     R    16_B     86   86   86     44   69   79   82   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    17_B     I    17_B     86   86   86     44   69   79   82   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    18_B     E    18_B     86   86   86     44   69   79   82   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    19_B     D    19_B     86   86   86     44   69   79   82   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    20_B     Y    20_B     86   86   86     44   69   79   82   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    21_B     V    21_B     86   86   86     44   69   79   82   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    22_B     L    22_B     86   86   86     44   69   79   82   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    23_B     D    23_B     86   86   86     44   69   79   82   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     T    24_B     T    24_B     86   86   86     44   69   79   82   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    25_B     I    25_B     86   86   86     44   69   79   82   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    26_B     I    26_B     86   86   86     44   69   79   82   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    27_B     L    27_B     86   86   86     44   69   79   82   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     F    28_B     F    28_B     86   86   86     44   69   79   82   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N    29_B     N    29_B     86   86   86     44   69   79   82   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Q    30_B     Q    30_B     86   86   86     44   69   79   82   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    31_B     G    31_B     86   86   86     23   69   79   82   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    32_B     Y    32_B     86   86   86     44   69   79   82   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    33_B     E    33_B     86   86   86     43   69   79   82   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    34_B     E    34_B     86   86   86     44   69   79   82   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    35_B     V    35_B     86   86   86     44   69   79   82   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    36_B     E    36_B     86   86   86     44   69   79   82   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    37_B     I    37_B     86   86   86     44   69   79   82   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    38_B     R    38_B     86   86   86     44   69   79   82   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    39_B     G    39_B     86   86   86     26   69   79   82   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    40_B     S    40_B     86   86   86     43   69   79   82   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    41_B     G    41_B     86   86   86     39   69   79   82   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Q    42_B     Q    42_B     86   86   86     32   69   79   82   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    43_B     E    43_B     86   86   86     44   69   79   82   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    44_B     I    44_B     86   86   86     44   69   79   82   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N    45_B     N    45_B     86   86   86     42   69   79   82   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    46_B     K    46_B     86   86   86     44   69   79   82   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     A    47_B     A    47_B     86   86   86     44   69   79   82   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    48_B     I    48_B     86   86   86     44   69   79   82   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    49_B     E    49_B     86   86   86     44   69   79   82   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    50_B     V    50_B     86   86   86     44   69   79   82   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    51_B     Y    51_B     86   86   86     44   69   79   82   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N    52_B     N    52_B     86   86   86     29   69   79   82   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Q    53_B     Q    53_B     86   86   86     44   69   79   82   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    54_B     L    54_B     86   86   86     42   69   79   82   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    55_B     V    55_B     86   86   86     34   69   79   82   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    56_B     D    56_B     86   86   86     39   69   79   82   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    57_B     R    57_B     86   86   86     25   69   79   82   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    58_B     L    58_B     86   86   86     15   67   79   82   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    59_B     K    59_B     86   86   86     10   63   79   82   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    60_B     E    60_B     86   86   86     10   36   71   82   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    61_B     G    61_B     86   86   86     10   51   79   82   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    62_B     V    62_B     86   86   86     39   69   79   82   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    63_B     R    63_B     86   86   86     36   69   79   82   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    64_B     L    64_B     86   86   86     44   69   79   82   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    65_B     E    65_B     86   86   86     44   69   79   82   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    66_B     K    66_B     86   86   86     44   69   79   82   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    67_B     V    67_B     86   86   86     44   69   79   82   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    68_B     D    68_B     86   86   86     44   69   79   82   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    69_B     I    69_B     86   86   86     44   69   79   82   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    70_B     G    70_B     86   86   86     44   69   79   82   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    71_B     S    71_B     86   86   86     44   69   79   82   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    72_B     E    72_B     86   86   86      7   59   79   82   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    73_B     V    73_B     86   86   86      7   28   79   82   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    74_B     K    74_B     86   86   86      7   15   58   82   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    75_B     D    75_B     86   86   86      5   15   58   82   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    76_B     R    76_B     86   86   86      3   15   79   82   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    77_B     R    77_B     86   86   86     11   67   79   82   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    78_B     R    78_B     86   86   86     43   69   79   82   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    79_B     I    79_B     86   86   86     26   67   79   82   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    80_B     S    80_B     86   86   86     26   69   79   82   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    81_B     Y    81_B     86   86   86     26   69   79   82   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    82_B     I    82_B     86   86   86     29   69   79   82   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    83_B     L    83_B     86   86   86     44   69   79   82   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    84_B     L    84_B     86   86   86     44   69   79   82   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    85_B     R    85_B     86   86   86     44   69   79   82   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    86_B     L    86_B     86   86   86     44   69   79   82   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    87_B     K    87_B     86   86   86     44   69   79   82   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    88_B     R    88_B     86   86   86     44   69   79   82   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    89_B     I    89_B     86   86   86     10   59   79   82   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    90_B     Y    90_B     86   86   86      0   64   79   82   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_AVERAGE  LCS_A: 100.00  ( 100.00  100.00  100.00 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT     44     69     79     82     85     86     86     86     86     86     86     86     86     86     86     86     86     86     86     86 
GDT PERCENT_AT  51.16  80.23  91.86  95.35  98.84 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.34   0.53   0.74   0.78   0.93   0.99   0.99   0.99   0.99   0.99   0.99   0.99   0.99   0.99   0.99   0.99   0.99   0.99   0.99   0.99
GDT RMS_ALL_AT   1.07   1.06   1.01   1.01   0.99   0.99   0.99   0.99   0.99   0.99   0.99   0.99   0.99   0.99   0.99   0.99   0.99   0.99   0.99   0.99

# Checking swapping
#   possible swapping detected:  E     8_B      E     8_B
#   possible swapping detected:  Y    20_B      Y    20_B
#   possible swapping detected:  F    28_B      F    28_B
#   possible swapping detected:  Y    32_B      Y    32_B
#   possible swapping detected:  E    33_B      E    33_B
#   possible swapping detected:  E    34_B      E    34_B
#   possible swapping detected:  E    49_B      E    49_B
#   possible swapping detected:  D    56_B      D    56_B
#   possible swapping detected:  E    60_B      E    60_B
#   possible swapping detected:  D    68_B      D    68_B
#   possible swapping detected:  Y    81_B      Y    81_B
#   possible swapping detected:  Y    90_B      Y    90_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    K     5_B      K     5_B     3.189     0    0.565   0.942    12.580   50.833   27.725
LGA    P     6_B      P     6_B     2.952     0    0.056   0.088     4.337   59.167   51.497
LGA    N     7_B      N     7_B     1.263     0    0.259   0.228     1.918   83.810   81.548
LGA    E     8_B      E     8_B     1.078     0    0.104   0.857     5.059   81.548   60.635
LGA    I     9_B      I     9_B     1.116     0    0.089   0.103     1.498   81.429   82.560
LGA    V    10_B      V    10_B     1.027     0    0.013   0.046     1.236   83.690   84.014
LGA    I    11_B      I    11_B     0.691     0    0.033   0.087     0.801   90.476   91.667
LGA    T    12_B      T    12_B     1.045     0    0.140   0.243     1.443   83.690   82.721
LGA    K    13_B      K    13_B     1.311     0    0.049   0.645     2.376   81.429   76.720
LGA    S    14_B      S    14_B     1.397     0    0.032   0.129     1.542   83.690   81.508
LGA    K    15_B      K    15_B     0.690     0    0.170   0.631     1.483   85.952   88.519
LGA    R    16_B      R    16_B     0.461     0    0.032   0.685     1.686   97.619   89.827
LGA    I    17_B      I    17_B     0.375     0    0.015   0.659     2.197  100.000   94.405
LGA    E    18_B      E    18_B     0.338     0    0.014   1.184     6.197  100.000   72.910
LGA    D    19_B      D    19_B     0.398     0    0.037   0.177     1.035  100.000   94.107
LGA    Y    20_B      Y    20_B     0.332     0    0.031   0.206     0.595  100.000   98.413
LGA    V    21_B      V    21_B     0.226     0    0.025   0.043     0.345  100.000  100.000
LGA    L    22_B      L    22_B     0.419     0    0.008   0.127     1.064  100.000   92.976
LGA    D    23_B      D    23_B     0.425     0    0.023   0.087     0.749  100.000   96.429
LGA    T    24_B      T    24_B     0.231     0    0.017   0.077     0.362  100.000  100.000
LGA    I    25_B      I    25_B     0.435     0    0.051   0.130     0.924  100.000   97.619
LGA    I    26_B      I    26_B     0.395     0    0.038   0.056     0.686   97.619   98.810
LGA    L    27_B      L    27_B     0.484     0    0.013   0.129     0.757   95.238   95.238
LGA    F    28_B      F    28_B     0.646     0    0.024   0.212     0.809   90.476   91.342
LGA    N    29_B      N    29_B     1.028     0    0.017   1.388     5.045   83.690   66.190
LGA    Q    30_B      Q    30_B     1.095     0    0.048   0.086     1.104   81.429   84.444
LGA    G    31_B      G    31_B     1.145     0    0.030   0.030     1.163   85.952   85.952
LGA    Y    32_B      Y    32_B     0.806     0    0.080   0.119     1.046   90.476   89.722
LGA    E    33_B      E    33_B     0.503     0    0.027   0.586     2.024   97.619   91.852
LGA    E    34_B      E    34_B     0.093     0    0.028   0.198     1.332  100.000   94.815
LGA    V    35_B      V    35_B     0.217     0    0.052   0.096     0.409  100.000  100.000
LGA    E    36_B      E    36_B     0.519     0    0.024   0.238     0.855   92.857   91.534
LGA    I    37_B      I    37_B     0.689     0    0.045   0.087     1.139   92.857   90.536
LGA    R    38_B      R    38_B     0.758     0    0.059   1.215     6.962   90.476   62.381
LGA    G    39_B      G    39_B     0.895     0    0.140   0.140     0.948   90.476   90.476
LGA    S    40_B      S    40_B     0.784     0    0.062   0.113     1.357   90.476   87.460
LGA    G    41_B      G    41_B     0.753     0    0.019   0.019     0.770   90.476   90.476
LGA    Q    42_B      Q    42_B     0.994     0    0.016   0.659     3.156   90.476   76.455
LGA    E    43_B      E    43_B     0.419     0    0.056   0.867     2.568   97.619   87.249
LGA    I    44_B      I    44_B     0.088     0    0.015   0.068     0.273  100.000  100.000
LGA    N    45_B      N    45_B     0.524     0    0.058   0.838     3.451   97.619   81.607
LGA    K    46_B      K    46_B     0.461     0    0.023   0.908     4.395  100.000   80.688
LGA    A    47_B      A    47_B     0.287     0    0.013   0.015     0.445  100.000  100.000
LGA    I    48_B      I    48_B     0.342     0    0.042   0.050     0.557   97.619   98.810
LGA    E    49_B      E    49_B     0.502     0    0.016   1.084     4.750   95.238   73.439
LGA    V    50_B      V    50_B     0.187     0    0.022   0.041     0.289  100.000  100.000
LGA    Y    51_B      Y    51_B     0.351     0    0.017   0.124     0.590  100.000   96.825
LGA    N    52_B      N    52_B     0.641     0    0.038   0.080     0.828   90.476   90.476
LGA    Q    53_B      Q    53_B     0.420     0    0.020   0.172     1.023  100.000   94.762
LGA    L    54_B      L    54_B     0.339     0    0.019   0.094     0.500  100.000  100.000
LGA    V    55_B      V    55_B     0.685     0    0.039   0.054     1.079   90.476   89.184
LGA    D    56_B      D    56_B     0.692     0    0.023   0.744     2.757   90.476   79.940
LGA    R    57_B      R    57_B     0.655     0    0.052   1.633     9.867   88.333   52.165
LGA    L    58_B      L    58_B     1.038     0    0.041   0.063     1.330   83.690   85.952
LGA    K    59_B      K    59_B     1.239     0    0.074   1.117     4.825   81.429   67.460
LGA    E    60_B      E    60_B     1.994     0    0.019   0.827     4.030   72.857   61.270
LGA    G    61_B      G    61_B     1.605     0    0.031   0.031     1.648   77.143   77.143
LGA    V    62_B      V    62_B     0.533     0    0.088   0.151     0.864   92.857   93.197
LGA    R    63_B      R    63_B     0.594     0    0.043   1.175     4.116   97.619   79.524
LGA    L    64_B      L    64_B     0.179     0    0.086   0.094     0.571   97.619   98.810
LGA    E    65_B      E    65_B     0.502     0    0.032   0.211     0.679   95.238   95.767
LGA    K    66_B      K    66_B     0.334     0    0.081   0.541     1.726  100.000   94.868
LGA    V    67_B      V    67_B     0.317     0    0.051   0.083     0.599   97.619   98.639
LGA    D    68_B      D    68_B     0.427     0    0.094   0.247     0.790   95.238   95.238
LGA    I    69_B      I    69_B     0.457     0    0.105   1.095     3.394   97.619   80.714
LGA    G    70_B      G    70_B     0.614     0    0.021   0.021     0.797   90.476   90.476
LGA    S    71_B      S    71_B     0.842     0    0.028   0.033     0.842   90.476   92.063
LGA    E    72_B      E    72_B     1.240     0    0.106   0.488     5.331   83.690   59.947
LGA    V    73_B      V    73_B     1.623     0    0.041   0.040     2.890   66.905   67.143
LGA    K    74_B      K    74_B     2.408     0    0.146   0.917     5.744   62.976   48.095
LGA    D    75_B      D    75_B     2.546     0    0.584   0.589     4.653   52.619   55.833
LGA    R    76_B      R    76_B     1.589     0    0.063   1.530     5.056   77.143   63.247
LGA    R    77_B      R    77_B     0.890     0    0.049   1.165     6.270   88.214   65.281
LGA    R    78_B      R    78_B     0.372     0    0.039   0.233     2.725   95.238   84.416
LGA    I    79_B      I    79_B     1.333     0    0.103   1.147     2.825   83.690   73.333
LGA    S    80_B      S    80_B     0.920     0    0.071   0.713     1.971   90.595   87.619
LGA    Y    81_B      Y    81_B     0.872     0    0.058   1.373    10.329   88.214   49.762
LGA    I    82_B      I    82_B     0.770     0    0.036   0.137     0.928   90.476   90.476
LGA    L    83_B      L    83_B     0.338     0    0.039   0.824     2.240   97.619   91.012
LGA    L    84_B      L    84_B     0.431     0    0.096   0.168     0.988   95.238   95.238
LGA    R    85_B      R    85_B     0.348     0    0.033   1.204     6.380  100.000   75.758
LGA    L    86_B      L    86_B     0.303     0    0.028   0.070     0.415  100.000  100.000
LGA    K    87_B      K    87_B     0.339     0    0.027   0.702     2.595  100.000   91.323
LGA    R    88_B      R    88_B     0.368     0    0.662   1.172     6.725   86.905   63.766
LGA    I    89_B      I    89_B     1.618     0    0.587   0.637     4.379   61.905   73.929
LGA    Y    90_B      Y    90_B     1.071     0    0.530   0.469     3.957   77.619   66.905

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       86     344    344  100.00     717    717  100.00                86
SUMMARY(RMSD_GDC):     0.990          1.060                  2.044           90.008   83.405

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   90   86    4.0     86    0.99    93.895    97.430     7.893

LGA_LOCAL      RMSD:   0.990  Number of atoms:   86  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.990  Number of assigned atoms:   86 
Std_ASGN_ATOMS RMSD:   0.990  Standard rmsd on all 86 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.732840 * X  +   0.647163 * Y  +  -0.210058 * Z  +   9.436836
  Y_new =  -0.282728 * X  +   0.570454 * Y  +   0.771133 * Z  +   8.317859
  Z_new =   0.618878 * X  +  -0.505729 * Y  +   0.601023 * Z  +  11.088694 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.368203 -0.667314 -0.699507   [DEG:  -21.0965  -38.2342  -40.0788 ]
ZXZ: -2.875643  0.926016  2.255919   [DEG: -164.7622   53.0568  129.2547 ]
 
# END of job
