
#######################################################
#                                                     #
#                        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        0.73     0.73
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    86       5_B - 90_B        0.73     0.73
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    86       5_B - 90_B        0.73     0.73
  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   36   72   84   86   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     14   32   76   85   86   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     35   79   83   85   86   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     41   79   83   85   86   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     28   79   83   85   86   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     53   79   83   85   86   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     53   79   83   85   86   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     17   68   83   85   86   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     53   79   83   85   86   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     19   71   83   85   86   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     42   79   83   85   86   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     35   79   83   85   86   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     50   79   83   85   86   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     53   79   83   85   86   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     53   79   83   85   86   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     53   79   83   85   86   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     53   79   83   85   86   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     53   79   83   85   86   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     53   79   83   85   86   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     53   79   83   85   86   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     53   79   83   85   86   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     50   79   83   85   86   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     53   79   83   85   86   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     53   79   83   85   86   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     42   79   83   85   86   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     50   79   83   85   86   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     10   62   83   85   86   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     10   79   83   85   86   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     29   79   83   85   86   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     53   79   83   85   86   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     53   79   83   85   86   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     53   79   83   85   86   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     53   79   83   85   86   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     53   79   83   85   86   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     53   79   83   85   86   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     53   79   83   85   86   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     53   79   83   85   86   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     53   79   83   85   86   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     53   79   83   85   86   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     53   79   83   85   86   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     53   79   83   85   86   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     53   79   83   85   86   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     53   79   83   85   86   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     53   79   83   85   86   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     53   79   83   85   86   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     53   79   83   85   86   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     53   79   83   85   86   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     53   79   83   85   86   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     53   79   83   85   86   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     53   79   83   85   86   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     53   79   83   85   86   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     53   79   83   85   86   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     46   79   83   85   86   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     46   79   83   85   86   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     46   79   83   85   86   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     50   79   83   85   86   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     48   79   83   85   86   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     53   79   83   85   86   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     53   79   83   85   86   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     53   79   83   85   86   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     53   79   83   85   86   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     20   79   83   85   86   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     53   79   83   85   86   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     53   79   83   85   86   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     53   79   83   85   86   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     53   79   83   85   86   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     53   79   83   85   86   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     29   79   83   85   86   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      9   79   83   85   86   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     24   79   83   85   86   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     29   79   83   85   86   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      8   79   83   85   86   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      9   79   83   85   86   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     53   79   83   85   86   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     20   79   83   85   86   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     29   79   83   85   86   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     53   79   83   85   86   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     53   79   83   85   86   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     53   79   83   85   86   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     53   79   83   85   86   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     53   79   83   85   86   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     53   79   83   85   86   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     53   79   83   85   86   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     25   77   83   85   86   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     25   79   83   85   86   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      4   48   83   85   86   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     53     79     83     85     86     86     86     86     86     86     86     86     86     86     86     86     86     86     86     86 
GDT PERCENT_AT  61.63  91.86  96.51  98.84 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.35   0.56   0.62   0.69   0.73   0.73   0.73   0.73   0.73   0.73   0.73   0.73   0.73   0.73   0.73   0.73   0.73   0.73   0.73   0.73
GDT RMS_ALL_AT   0.75   0.73   0.74   0.73   0.73   0.73   0.73   0.73   0.73   0.73   0.73   0.73   0.73   0.73   0.73   0.73   0.73   0.73   0.73   0.73

# Checking swapping
#   possible swapping detected:  E     8_B      E     8_B
#   possible swapping detected:  E    36_B      E    36_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

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    K     5_B      K     5_B     2.333     0    0.093   0.901     3.381   63.095   64.974
LGA    P     6_B      P     6_B     2.161     0    0.101   0.406     3.747   66.786   58.639
LGA    N     7_B      N     7_B     0.935     0    0.099   0.161     1.345   92.976   90.595
LGA    E     8_B      E     8_B     0.772     0    0.175   0.682     5.512   86.190   61.958
LGA    I     9_B      I     9_B     0.902     0    0.124   0.617     1.757   88.214   86.012
LGA    V    10_B      V    10_B     0.601     0    0.000   0.109     1.055   90.476   89.184
LGA    I    11_B      I    11_B     0.616     0    0.000   0.035     0.763   90.476   94.048
LGA    T    12_B      T    12_B     1.304     0    0.076   1.209     3.426   88.214   77.211
LGA    K    13_B      K    13_B     0.391     0    0.175   0.948     4.510   90.595   79.259
LGA    S    14_B      S    14_B     1.477     0    0.048   0.100     1.859   81.429   78.571
LGA    K    15_B      K    15_B     0.841     0    0.062   0.478     1.146   90.476   87.460
LGA    R    16_B      R    16_B     0.976     0    0.057   1.015     4.492   90.476   75.325
LGA    I    17_B      I    17_B     0.728     0    0.054   0.093     1.355   92.857   89.405
LGA    E    18_B      E    18_B     0.571     0    0.000   0.063     1.163   92.857   90.529
LGA    D    19_B      D    19_B     0.415     0    0.100   0.905     3.286   97.619   84.583
LGA    Y    20_B      Y    20_B     0.308     0    0.030   0.232     2.324  100.000   86.389
LGA    V    21_B      V    21_B     0.332     0    0.041   0.128     0.632  100.000   98.639
LGA    L    22_B      L    22_B     0.266     0    0.057   0.181     0.883  100.000   96.429
LGA    D    23_B      D    23_B     0.336     0    0.047   0.144     0.812  100.000   96.429
LGA    T    24_B      T    24_B     0.175     0    0.043   0.123     0.596  100.000   97.279
LGA    I    25_B      I    25_B     0.279     0    0.062   0.137     0.885  100.000   97.619
LGA    I    26_B      I    26_B     0.498     0    0.073   0.076     1.603  100.000   91.905
LGA    L    27_B      L    27_B     0.341     0    0.054   0.234     0.884  100.000   97.619
LGA    F    28_B      F    28_B     0.501     0    0.000   0.185     0.930   92.857   97.403
LGA    N    29_B      N    29_B     0.754     0    0.022   0.950     4.061   90.476   73.750
LGA    Q    30_B      Q    30_B     0.668     0    0.034   1.028     4.530   88.214   76.190
LGA    G    31_B      G    31_B     1.565     0    0.000   0.000     1.751   77.143   77.143
LGA    Y    32_B      Y    32_B     1.069     0    0.143   0.536     2.263   83.690   83.175
LGA    E    33_B      E    33_B     0.888     0    0.071   0.670     2.396   90.476   78.042
LGA    E    34_B      E    34_B     0.468     0    0.069   0.658     3.290   97.619   77.513
LGA    V    35_B      V    35_B     0.392     0    0.002   0.058     0.485  100.000  100.000
LGA    E    36_B      E    36_B     0.214     0    0.093   0.963     3.031  100.000   81.852
LGA    I    37_B      I    37_B     0.481     0    0.033   0.634     1.548  100.000   93.036
LGA    R    38_B      R    38_B     0.494     0    0.040   1.270     6.056   97.619   74.026
LGA    G    39_B      G    39_B     0.482     0    0.049   0.049     0.482  100.000  100.000
LGA    S    40_B      S    40_B     0.570     0    0.000   0.635     1.789   92.857   89.127
LGA    G    41_B      G    41_B     0.478     0    0.044   0.044     0.556   97.619   97.619
LGA    Q    42_B      Q    42_B     0.405     0    0.074   0.662     2.187  100.000   90.847
LGA    E    43_B      E    43_B     0.391     0    0.000   0.194     1.055  100.000   94.762
LGA    I    44_B      I    44_B     0.064     0    0.009   0.064     0.235  100.000  100.000
LGA    N    45_B      N    45_B     0.140     0    0.037   0.891     3.544  100.000   84.107
LGA    K    46_B      K    46_B     0.315     0    0.000   0.503     1.603  100.000   92.804
LGA    A    47_B      A    47_B     0.345     0    0.020   0.000     0.457  100.000  100.000
LGA    I    48_B      I    48_B     0.347     0    0.049   0.077     0.556  100.000   98.810
LGA    E    49_B      E    49_B     0.260     0    0.065   0.674     2.153  100.000   92.011
LGA    V    50_B      V    50_B     0.252     0    0.000   0.053     0.290  100.000  100.000
LGA    Y    51_B      Y    51_B     0.247     0    0.000   0.126     0.902  100.000   96.825
LGA    N    52_B      N    52_B     0.389     0    0.041   0.103     1.093  100.000   92.976
LGA    Q    53_B      Q    53_B     0.238     0    0.000   1.358     3.777  100.000   82.910
LGA    L    54_B      L    54_B     0.207     0    0.045   0.323     1.070  100.000   95.298
LGA    V    55_B      V    55_B     0.284     0    0.000   0.777     1.973  100.000   92.245
LGA    D    56_B      D    56_B     0.373     0    0.062   0.767     2.645   95.238   83.512
LGA    R    57_B      R    57_B     0.679     0    0.040   1.256     8.818   92.857   57.143
LGA    L    58_B      L    58_B     0.672     0    0.000   0.102     0.902   90.476   90.476
LGA    K    59_B      K    59_B     0.667     0    0.065   1.069     4.024   92.857   76.825
LGA    E    60_B      E    60_B     0.486     0    0.019   0.820     2.485   95.238   84.921
LGA    G    61_B      G    61_B     0.521     0    0.066   0.066     0.829   92.857   92.857
LGA    V    62_B      V    62_B     0.350     0    0.032   0.064     0.444  100.000  100.000
LGA    R    63_B      R    63_B     0.308     0    0.000   1.094     4.802  100.000   80.866
LGA    L    64_B      L    64_B     0.293     0    0.082   0.105     0.589  100.000   98.810
LGA    E    65_B      E    65_B     0.398     0    0.110   0.542     2.880   92.976   79.312
LGA    K    66_B      K    66_B     0.921     0    0.087   1.038     4.545   92.857   76.561
LGA    V    67_B      V    67_B     0.384     0    0.000   0.107     0.653   95.238   95.918
LGA    D    68_B      D    68_B     0.196     0    0.054   0.113     0.589  100.000   98.810
LGA    I    69_B      I    69_B     0.413     0    0.055   0.063     0.789   97.619   94.048
LGA    G    70_B      G    70_B     0.430     0    0.013   0.013     0.490  100.000  100.000
LGA    S    71_B      S    71_B     0.225     0    0.043   0.054     0.691   97.619   96.825
LGA    E    72_B      E    72_B     0.637     0    0.000   0.384     1.706   95.238   91.693
LGA    V    73_B      V    73_B     0.883     0    0.067   0.112     1.506   83.810   85.374
LGA    K    74_B      K    74_B     1.033     0    0.060   0.898     2.785   83.690   77.884
LGA    D    75_B      D    75_B     1.031     0    0.107   0.129     1.496   83.690   84.821
LGA    R    76_B      R    76_B     1.063     0    0.043   1.010     3.592   85.952   76.580
LGA    R    77_B      R    77_B     0.812     0    0.041   1.073     4.319   90.476   73.247
LGA    R    78_B      R    78_B     0.440     0    0.013   1.079     6.439   92.976   67.792
LGA    I    79_B      I    79_B     1.011     0    0.051   1.212     3.324   88.214   78.750
LGA    S    80_B      S    80_B     0.705     0    0.000   0.051     0.880   90.476   90.476
LGA    Y    81_B      Y    81_B     0.492     0    0.038   0.088     0.597   95.238   95.238
LGA    I    82_B      I    82_B     0.369     0    0.024   0.029     0.550  100.000   98.810
LGA    L    83_B      L    83_B     0.402     0    0.045   1.373     2.919   95.238   82.321
LGA    L    84_B      L    84_B     0.416     0    0.118   0.776     1.993   92.976   87.321
LGA    R    85_B      R    85_B     0.440     0    0.077   1.115     5.677  100.000   75.844
LGA    L    86_B      L    86_B     0.398     0    0.039   0.123     0.912   97.619   97.619
LGA    K    87_B      K    87_B     0.521     0    0.031   0.665     2.913   92.857   85.185
LGA    R    88_B      R    88_B     0.951     0    0.653   1.063     8.533   82.143   51.905
LGA    I    89_B      I    89_B     0.833     0    0.244   0.260     1.493   85.952   87.143
LGA    Y    90_B      Y    90_B     1.714     0    0.040   1.474     7.746   70.952   51.587

# 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):     0.730          0.765                  1.668           93.659   86.384

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   90   86    4.0     86    0.73    97.674    99.016    10.355

LGA_LOCAL      RMSD:   0.730  Number of atoms:   86  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.730  Number of assigned atoms:   86 
Std_ASGN_ATOMS RMSD:   0.730  Standard rmsd on all 86 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.178948 * X  +  -0.394602 * Y  +  -0.901258 * Z  + -143.934692
  Y_new =   0.719842 * X  +   0.571935 * Y  +  -0.393340 * Z  + 195.964478
  Z_new =   0.670675 * X  +  -0.719151 * Y  +   0.181705 * Z  + -164.610855 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.814450 -0.735118 -1.323310   [DEG:  103.9604  -42.1192  -75.8201 ]
ZXZ: -1.159280  1.388076  2.391060   [DEG:  -66.4219   79.5309  136.9977 ]
 
# END of job
