
#######################################################
#                                                     #
#                        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        1.30     1.30
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    86       5_B - 90_B        1.30     1.30
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    84       7_B - 90_B        0.74     1.33
  LCS_AVERAGE:     95.48

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      3   86   86      0    3    3    4   10   57   73   83   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     P     6_B     P     6_B      3   86   86      3    3    5    5    6    9   16   22   33   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N     7_B     N     7_B     84   86   86     11   69   80   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E     8_B     E     8_B     84   86   86     38   76   80   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I     9_B     I     9_B     84   86   86     46   76   80   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    10_B     V    10_B     84   86   86     55   76   80   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    11_B     I    11_B     84   86   86     55   76   80   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     T    12_B     T    12_B     84   86   86     55   76   80   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    13_B     K    13_B     84   86   86     55   76   80   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    14_B     S    14_B     84   86   86     24   76   80   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    15_B     K    15_B     84   86   86     54   76   80   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    16_B     R    16_B     84   86   86     55   76   80   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    17_B     I    17_B     84   86   86     55   76   80   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    18_B     E    18_B     84   86   86     55   76   80   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    19_B     D    19_B     84   86   86     55   76   80   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    20_B     Y    20_B     84   86   86     55   76   80   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    21_B     V    21_B     84   86   86     55   76   80   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    22_B     L    22_B     84   86   86     55   76   80   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    23_B     D    23_B     84   86   86     55   76   80   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     T    24_B     T    24_B     84   86   86     55   76   80   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    25_B     I    25_B     84   86   86     55   76   80   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    26_B     I    26_B     84   86   86     55   76   80   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    27_B     L    27_B     84   86   86     55   76   80   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     F    28_B     F    28_B     84   86   86     54   76   80   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N    29_B     N    29_B     84   86   86     41   76   80   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Q    30_B     Q    30_B     84   86   86     41   76   80   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    31_B     G    31_B     84   86   86     13   70   80   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    32_B     Y    32_B     84   86   86     41   76   80   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    33_B     E    33_B     84   86   86     49   76   80   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    34_B     E    34_B     84   86   86     55   76   80   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    35_B     V    35_B     84   86   86     55   76   80   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    36_B     E    36_B     84   86   86     54   76   80   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    37_B     I    37_B     84   86   86     54   76   80   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    38_B     R    38_B     84   86   86     55   76   80   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    39_B     G    39_B     84   86   86     54   76   80   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    40_B     S    40_B     84   86   86     55   76   80   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    41_B     G    41_B     84   86   86     55   76   80   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Q    42_B     Q    42_B     84   86   86     55   76   80   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    43_B     E    43_B     84   86   86     55   76   80   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    44_B     I    44_B     84   86   86     55   76   80   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N    45_B     N    45_B     84   86   86     55   76   80   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    46_B     K    46_B     84   86   86     55   76   80   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     A    47_B     A    47_B     84   86   86     55   76   80   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    48_B     I    48_B     84   86   86     55   76   80   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    49_B     E    49_B     84   86   86     55   76   80   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    50_B     V    50_B     84   86   86     55   76   80   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    51_B     Y    51_B     84   86   86     55   76   80   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N    52_B     N    52_B     84   86   86     55   76   80   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Q    53_B     Q    53_B     84   86   86     55   76   80   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    54_B     L    54_B     84   86   86     55   76   80   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    55_B     V    55_B     84   86   86     55   76   80   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    56_B     D    56_B     84   86   86     55   76   80   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    57_B     R    57_B     84   86   86     53   76   80   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    58_B     L    58_B     84   86   86     55   76   80   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    59_B     K    59_B     84   86   86     53   76   80   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    60_B     E    60_B     84   86   86     55   76   80   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    61_B     G    61_B     84   86   86     55   76   80   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    62_B     V    62_B     84   86   86     55   76   80   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    63_B     R    63_B     84   86   86     55   76   80   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    64_B     L    64_B     84   86   86     55   76   80   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    65_B     E    65_B     84   86   86     55   76   80   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    66_B     K    66_B     84   86   86     55   76   80   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    67_B     V    67_B     84   86   86     55   76   80   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    68_B     D    68_B     84   86   86     55   76   80   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    69_B     I    69_B     84   86   86     55   76   80   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    70_B     G    70_B     84   86   86     41   76   80   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    71_B     S    71_B     84   86   86     55   76   80   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    72_B     E    72_B     84   86   86      8   33   80   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    73_B     V    73_B     84   86   86      8   10   43   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    74_B     K    74_B     84   86   86      8   10   41   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    75_B     D    75_B     84   86   86      8   22   75   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    76_B     R    76_B     84   86   86      8   22   67   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    77_B     R    77_B     84   86   86     24   73   80   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    78_B     R    78_B     84   86   86     38   76   80   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    79_B     I    79_B     84   86   86     41   76   80   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    80_B     S    80_B     84   86   86     54   76   80   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    81_B     Y    81_B     84   86   86     55   76   80   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    82_B     I    82_B     84   86   86     55   76   80   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    83_B     L    83_B     84   86   86     55   76   80   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    84_B     L    84_B     84   86   86     53   76   80   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    85_B     R    85_B     84   86   86     55   76   80   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    86_B     L    86_B     84   86   86     55   76   80   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    87_B     K    87_B     84   86   86     55   76   80   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    88_B     R    88_B     84   86   86     38   76   80   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    89_B     I    89_B     84   86   86     38   76   80   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    90_B     Y    90_B     84   86   86     55   76   80   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_AVERAGE  LCS_A:  98.49  (  95.48  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     55     76     80     84     84     84     84     84     85     86     86     86     86     86     86     86     86     86     86     86 
GDT PERCENT_AT  63.95  88.37  93.02  97.67  97.67  97.67  97.67  97.67  98.84 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.29   0.46   0.56   0.74   0.74   0.74   0.74   0.74   1.01   1.30   1.30   1.30   1.30   1.30   1.30   1.30   1.30   1.30   1.30   1.30
GDT RMS_ALL_AT   1.39   1.38   1.36   1.33   1.33   1.33   1.33   1.33   1.30   1.30   1.30   1.30   1.30   1.30   1.30   1.30   1.30   1.30   1.30   1.30

# Checking swapping
#   possible swapping detected:  E    18_B      E    18_B
#   possible swapping detected:  E    49_B      E    49_B
#   possible swapping detected:  Y    51_B      Y    51_B
#   possible swapping detected:  D    56_B      D    56_B
#   possible swapping detected:  E    65_B      E    65_B
#   possible swapping detected:  D    68_B      D    68_B
#   possible swapping detected:  E    72_B      E    72_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     6.618     0    0.618   0.695     8.525   15.357   12.540
LGA    P     6_B      P     6_B     7.964     0    0.664   0.775    10.983   13.214    7.687
LGA    N     7_B      N     7_B     1.507     0    0.514   1.124     4.006   78.333   71.310
LGA    E     8_B      E     8_B     0.697     0    0.087   0.624     6.036   88.214   61.270
LGA    I     9_B      I     9_B     0.716     0    0.138   0.128     1.338   88.214   89.345
LGA    V    10_B      V    10_B     0.410     0    0.050   0.083     0.711  100.000   97.279
LGA    I    11_B      I    11_B     0.219     0    0.038   0.105     0.544   97.619   98.810
LGA    T    12_B      T    12_B     0.570     0    0.110   0.174     1.082   95.238   91.905
LGA    K    13_B      K    13_B     0.244     0    0.118   0.908     4.636   97.619   81.481
LGA    S    14_B      S    14_B     0.835     0    0.111   0.118     1.161   88.214   88.968
LGA    K    15_B      K    15_B     0.330     0    0.131   0.686     1.370   97.619   89.630
LGA    R    16_B      R    16_B     0.261     0    0.031   0.184     1.193  100.000   93.983
LGA    I    17_B      I    17_B     0.310     0    0.018   0.095     0.437  100.000  100.000
LGA    E    18_B      E    18_B     0.330     0    0.035   0.138     0.635  100.000   96.825
LGA    D    19_B      D    19_B     0.458     0    0.015   0.205     0.829  100.000   96.429
LGA    Y    20_B      Y    20_B     0.282     0    0.027   0.123     0.419  100.000  100.000
LGA    V    21_B      V    21_B     0.170     0    0.009   0.029     0.318  100.000  100.000
LGA    L    22_B      L    22_B     0.416     0    0.056   1.357     2.878   97.619   84.702
LGA    D    23_B      D    23_B     0.607     0    0.014   0.212     1.014   92.857   90.536
LGA    T    24_B      T    24_B     0.273     0    0.011   0.053     0.385  100.000  100.000
LGA    I    25_B      I    25_B     0.383     0    0.035   0.123     0.821  100.000   97.619
LGA    I    26_B      I    26_B     0.375     0    0.031   0.045     0.594   97.619   98.810
LGA    L    27_B      L    27_B     0.532     0    0.034   0.130     0.807   92.857   91.667
LGA    F    28_B      F    28_B     0.679     0    0.027   0.144     0.928   90.476   94.805
LGA    N    29_B      N    29_B     1.069     0    0.026   1.389     4.962   83.690   66.845
LGA    Q    30_B      Q    30_B     1.189     0    0.059   0.057     1.325   81.429   81.429
LGA    G    31_B      G    31_B     1.701     0    0.041   0.041     1.701   77.143   77.143
LGA    Y    32_B      Y    32_B     1.081     0    0.158   0.197     1.457   83.690   82.183
LGA    E    33_B      E    33_B     0.576     0    0.007   0.760     3.027   95.238   81.376
LGA    E    34_B      E    34_B     0.132     0    0.028   0.182     1.257  100.000   93.757
LGA    V    35_B      V    35_B     0.239     0    0.028   0.045     0.286  100.000  100.000
LGA    E    36_B      E    36_B     0.416     0    0.070   0.566     2.245   97.619   86.931
LGA    I    37_B      I    37_B     0.509     0    0.006   0.056     0.770   95.238   94.048
LGA    R    38_B      R    38_B     0.439     0    0.096   0.270     2.177  100.000   86.753
LGA    G    39_B      G    39_B     0.514     0    0.020   0.020     0.514   97.619   97.619
LGA    S    40_B      S    40_B     0.569     0    0.086   0.654     2.047   97.619   89.444
LGA    G    41_B      G    41_B     0.199     0    0.040   0.040     0.401  100.000  100.000
LGA    Q    42_B      Q    42_B     0.107     0    0.019   1.284     4.472  100.000   81.270
LGA    E    43_B      E    43_B     0.323     0    0.028   0.856     2.860  100.000   86.402
LGA    I    44_B      I    44_B     0.249     0    0.031   0.086     0.453  100.000  100.000
LGA    N    45_B      N    45_B     0.263     0    0.024   0.877     3.217  100.000   85.952
LGA    K    46_B      K    46_B     0.302     0    0.015   0.059     0.354  100.000  100.000
LGA    A    47_B      A    47_B     0.091     0    0.013   0.014     0.178  100.000  100.000
LGA    I    48_B      I    48_B     0.101     0    0.036   0.059     0.596  100.000   98.810
LGA    E    49_B      E    49_B     0.117     0    0.044   0.388     0.897  100.000   96.825
LGA    V    50_B      V    50_B     0.083     0    0.015   0.041     0.284  100.000  100.000
LGA    Y    51_B      Y    51_B     0.243     0    0.031   0.059     0.650  100.000   96.032
LGA    N    52_B      N    52_B     0.374     0    0.059   0.076     0.590   97.619   95.238
LGA    Q    53_B      Q    53_B     0.212     0    0.018   0.068     0.253  100.000  100.000
LGA    L    54_B      L    54_B     0.251     0    0.024   0.036     0.337  100.000  100.000
LGA    V    55_B      V    55_B     0.438     0    0.023   0.059     0.688  100.000   98.639
LGA    D    56_B      D    56_B     0.441     0    0.020   0.687     3.148  100.000   84.940
LGA    R    57_B      R    57_B     0.521     0    0.035   1.444     9.318   92.857   54.069
LGA    L    58_B      L    58_B     0.503     0    0.015   0.044     0.690   92.857   92.857
LGA    K    59_B      K    59_B     0.554     0    0.017   0.985     4.896   95.238   79.788
LGA    E    60_B      E    60_B     0.464     0    0.058   0.859     3.062   92.857   82.593
LGA    G    61_B      G    61_B     0.459     0    0.048   0.048     0.555   97.619   97.619
LGA    V    62_B      V    62_B     0.373     0    0.045   0.049     0.597  100.000   95.918
LGA    R    63_B      R    63_B     0.165     0    0.032   0.343     2.618  100.000   85.411
LGA    L    64_B      L    64_B     0.191     0    0.020   0.061     0.393  100.000  100.000
LGA    E    65_B      E    65_B     0.269     0    0.010   0.189     0.574  100.000   97.884
LGA    K    66_B      K    66_B     0.273     0    0.045   0.759     4.060  100.000   84.339
LGA    V    67_B      V    67_B     0.351     0    0.029   0.037     0.551   97.619   98.639
LGA    D    68_B      D    68_B     0.608     0    0.036   0.119     0.845   90.476   90.476
LGA    I    69_B      I    69_B     0.571     0    0.048   0.047     0.719   90.476   91.667
LGA    G    70_B      G    70_B     0.970     0    0.047   0.047     0.970   90.476   90.476
LGA    S    71_B      S    71_B     0.496     0    0.059   0.591     2.811   90.595   85.000
LGA    E    72_B      E    72_B     1.277     0    0.075   0.401     2.902   85.952   77.884
LGA    V    73_B      V    73_B     2.199     0    0.077   0.080     3.298   61.071   58.367
LGA    K    74_B      K    74_B     2.164     0    0.063   0.861     4.470   70.833   60.265
LGA    D    75_B      D    75_B     2.039     0    0.055   0.089     2.431   68.810   67.798
LGA    R    76_B      R    76_B     2.113     0    0.052   1.051     3.357   68.810   65.671
LGA    R    77_B      R    77_B     0.958     0    0.017   0.767     3.576   88.214   79.827
LGA    R    78_B      R    78_B     0.818     0    0.037   0.449     5.037   90.476   65.801
LGA    I    79_B      I    79_B     1.056     0    0.161   1.110     2.859   85.952   75.417
LGA    S    80_B      S    80_B     0.757     0    0.016   0.037     1.382   95.238   92.143
LGA    Y    81_B      Y    81_B     0.455     0    0.006   0.155     1.755   95.238   86.865
LGA    I    82_B      I    82_B     0.250     0    0.022   0.063     0.349  100.000  100.000
LGA    L    83_B      L    83_B     0.296     0    0.011   1.392     3.112  100.000   85.000
LGA    L    84_B      L    84_B     0.546     0    0.118   0.168     1.202   90.595   90.536
LGA    R    85_B      R    85_B     0.357     0    0.073   1.291     5.346  100.000   79.697
LGA    L    86_B      L    86_B     0.241     0    0.011   0.779     2.291  100.000   92.083
LGA    K    87_B      K    87_B     0.351     0    0.025   0.286     2.120   97.619   88.889
LGA    R    88_B      R    88_B     0.721     0    0.019   1.173     6.617   90.476   65.887
LGA    I    89_B      I    89_B     0.875     0    0.662   0.775     3.566   76.429   80.476
LGA    Y    90_B      Y    90_B     0.475     0    0.092   1.436     5.220   69.762   55.159

# 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):     1.296          1.299                  1.899           91.913   85.950

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   90   86    4.0     84    0.74    95.930    97.792    10.058

LGA_LOCAL      RMSD:   0.735  Number of atoms:   84  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.332  Number of assigned atoms:   86 
Std_ASGN_ATOMS RMSD:   1.296  Standard rmsd on all 86 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.035547 * X  +  -0.331928 * Y  +   0.942635 * Z  +   8.813461
  Y_new =  -0.353553 * X  +  -0.878055 * Y  +  -0.322520 * Z  +  10.298674
  Z_new =   0.934739 * X  +  -0.344736 * Y  +  -0.086142 * Z  +  -3.046709 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.671002 -1.207524 -1.815660   [DEG:  -95.7413  -69.1860 -104.0297 ]
ZXZ:  1.241134  1.657045  1.924124   [DEG:   71.1117   94.9417  110.2442 ]
 
# END of job
