
#######################################################
#                                                     #
#                        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        0.70     0.70
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    86       5_B - 90_B        0.70     0.70
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    86       5_B - 90_B        0.70     0.70
  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    8   65   78   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      4   35   69   81   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     29   79   84   84   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     50   79   84   84   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     33   79   84   84   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     58   79   84   84   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     58   79   84   84   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     58   79   84   84   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     52   79   84   84   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     22   79   84   84   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     58   79   84   84   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     58   79   84   84   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     58   79   84   84   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     58   79   84   84   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     58   79   84   84   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     58   79   84   84   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     58   79   84   84   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     58   79   84   84   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     58   79   84   84   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     58   79   84   84   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     58   79   84   84   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     58   79   84   84   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     58   79   84   84   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     58   79   84   84   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     58   79   84   84   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     58   79   84   84   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     33   79   84   84   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     54   79   84   84   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     56   79   84   84   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     58   79   84   84   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     58   79   84   84   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     58   79   84   84   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     58   79   84   84   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     58   79   84   84   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     58   79   84   84   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     58   79   84   84   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     58   79   84   84   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     58   79   84   84   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     58   79   84   84   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     58   79   84   84   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     58   79   84   84   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     58   79   84   84   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     58   79   84   84   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     58   79   84   84   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     58   79   84   84   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     58   79   84   84   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     58   79   84   84   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     58   79   84   84   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     58   79   84   84   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     58   79   84   84   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     58   79   84   84   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     58   79   84   84   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     57   79   84   84   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     55   79   84   84   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     53   79   84   84   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     52   79   84   84   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     52   79   84   84   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     58   79   84   84   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     58   79   84   84   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     58   79   84   84   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     58   79   84   84   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     58   79   84   84   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     58   79   84   84   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     58   79   84   84   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     58   79   84   84   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     52   79   84   84   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     58   79   84   84   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      8   79   84   84   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      8   45   84   84   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     16   78   84   84   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     42   79   84   84   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     54   79   84   84   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     57   79   84   84   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     58   79   84   84   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     29   79   84   84   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     54   79   84   84   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     58   79   84   84   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     58   79   84   84   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     58   79   84   84   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     55   79   84   84   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     58   79   84   84   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     58   79   84   84   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     58   79   84   84   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     50   79   84   84   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     49   79   84   84   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     17   79   84   84   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     58     79     84     84     86     86     86     86     86     86     86     86     86     86     86     86     86     86     86     86 
GDT PERCENT_AT  67.44  91.86  97.67  97.67 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.27   0.45   0.53   0.53   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70
GDT RMS_ALL_AT   0.73   0.71   0.71   0.71   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70

# Checking swapping
#   possible swapping detected:  E     8_B      E     8_B
#   possible swapping detected:  E    18_B      E    18_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     2.893     0    0.601   0.672    12.588   57.976   31.587
LGA    P     6_B      P     6_B     2.878     0    0.035   0.317     4.683   60.952   51.701
LGA    N     7_B      N     7_B     0.915     0    0.061   0.234     2.049   90.833   85.179
LGA    E     8_B      E     8_B     0.718     0    0.069   0.779     6.531   90.595   63.228
LGA    I     9_B      I     9_B     0.883     0    0.142   0.125     1.484   88.214   89.345
LGA    V    10_B      V    10_B     0.561     0    0.048   0.080     0.808   90.476   90.476
LGA    I    11_B      I    11_B     0.421     0    0.056   0.134     0.507   97.619   98.810
LGA    T    12_B      T    12_B     0.788     0    0.108   0.152     1.242   90.476   86.599
LGA    K    13_B      K    13_B     0.808     0    0.116   0.872     4.646   85.952   72.593
LGA    S    14_B      S    14_B     1.413     0    0.090   0.092     1.647   79.286   77.143
LGA    K    15_B      K    15_B     0.335     0    0.121   0.667     1.596   95.238   87.619
LGA    R    16_B      R    16_B     0.217     0    0.042   0.163     1.474  100.000   93.203
LGA    I    17_B      I    17_B     0.406     0    0.031   0.150     0.768  100.000   97.619
LGA    E    18_B      E    18_B     0.389     0    0.026   0.129     0.563  100.000   98.942
LGA    D    19_B      D    19_B     0.353     0    0.028   0.138     0.703  100.000   96.429
LGA    Y    20_B      Y    20_B     0.288     0    0.020   0.093     0.517  100.000   98.413
LGA    V    21_B      V    21_B     0.276     0    0.010   0.064     0.348  100.000  100.000
LGA    L    22_B      L    22_B     0.207     0    0.051   1.359     3.018  100.000   85.000
LGA    D    23_B      D    23_B     0.208     0    0.014   0.177     0.413  100.000  100.000
LGA    T    24_B      T    24_B     0.127     0    0.007   0.042     0.331  100.000  100.000
LGA    I    25_B      I    25_B     0.310     0    0.025   0.124     0.844  100.000   97.619
LGA    I    26_B      I    26_B     0.349     0    0.035   0.046     0.719  100.000   97.619
LGA    L    27_B      L    27_B     0.143     0    0.033   0.132     0.400  100.000  100.000
LGA    F    28_B      F    28_B     0.367     0    0.020   0.063     0.618   97.619   99.134
LGA    N    29_B      N    29_B     0.533     0    0.029   1.393     4.108   92.857   75.893
LGA    Q    30_B      Q    30_B     0.318     0    0.048   0.061     0.478  100.000  100.000
LGA    G    31_B      G    31_B     0.947     0    0.025   0.025     0.947   90.476   90.476
LGA    Y    32_B      Y    32_B     0.596     0    0.141   0.135     1.140   88.214   95.278
LGA    E    33_B      E    33_B     0.524     0    0.023   0.737     2.946   95.238   82.169
LGA    E    34_B      E    34_B     0.217     0    0.017   0.184     1.493   97.619   90.635
LGA    V    35_B      V    35_B     0.280     0    0.032   0.051     0.328  100.000  100.000
LGA    E    36_B      E    36_B     0.406     0    0.089   0.558     2.343   97.619   86.931
LGA    I    37_B      I    37_B     0.586     0    0.012   0.060     0.982   95.238   92.857
LGA    R    38_B      R    38_B     0.532     0    0.094   0.326     1.986   92.857   84.892
LGA    G    39_B      G    39_B     0.546     0    0.035   0.035     0.553   95.238   95.238
LGA    S    40_B      S    40_B     0.499     0    0.078   0.645     1.787  100.000   93.889
LGA    G    41_B      G    41_B     0.102     0    0.042   0.042     0.294  100.000  100.000
LGA    Q    42_B      Q    42_B     0.145     0    0.024   0.832     2.401  100.000   92.011
LGA    E    43_B      E    43_B     0.232     0    0.033   0.861     2.848  100.000   86.402
LGA    I    44_B      I    44_B     0.234     0    0.032   0.073     0.495  100.000  100.000
LGA    N    45_B      N    45_B     0.197     0    0.015   0.896     3.536  100.000   83.155
LGA    K    46_B      K    46_B     0.313     0    0.013   0.060     0.746  100.000   96.825
LGA    A    47_B      A    47_B     0.256     0    0.014   0.015     0.282  100.000  100.000
LGA    I    48_B      I    48_B     0.307     0    0.033   0.651     1.798  100.000   95.417
LGA    E    49_B      E    49_B     0.363     0    0.047   0.612     2.055  100.000   88.836
LGA    V    50_B      V    50_B     0.290     0    0.016   0.041     0.416  100.000  100.000
LGA    Y    51_B      Y    51_B     0.109     0    0.022   0.079     0.408  100.000  100.000
LGA    N    52_B      N    52_B     0.326     0    0.045   0.069     0.662  100.000   97.619
LGA    Q    53_B      Q    53_B     0.258     0    0.010   0.171     0.696  100.000   98.942
LGA    L    54_B      L    54_B     0.140     0    0.013   0.039     0.309  100.000  100.000
LGA    V    55_B      V    55_B     0.333     0    0.024   0.040     0.696  100.000   98.639
LGA    D    56_B      D    56_B     0.409     0    0.041   0.098     0.604   97.619   94.048
LGA    R    57_B      R    57_B     0.452     0    0.024   1.374     7.410   95.238   63.160
LGA    L    58_B      L    58_B     0.528     0    0.013   0.040     0.725   92.857   92.857
LGA    K    59_B      K    59_B     0.628     0    0.023   1.108     4.451   92.857   75.979
LGA    E    60_B      E    60_B     0.707     0    0.078   0.835     3.001   90.476   82.222
LGA    G    61_B      G    61_B     0.639     0    0.064   0.064     0.659   92.857   92.857
LGA    V    62_B      V    62_B     0.327     0    0.041   0.044     0.465  100.000  100.000
LGA    R    63_B      R    63_B     0.114     0    0.029   0.232     1.630  100.000   92.424
LGA    L    64_B      L    64_B     0.167     0    0.014   0.083     0.309  100.000  100.000
LGA    E    65_B      E    65_B     0.204     0    0.026   0.096     0.324  100.000  100.000
LGA    K    66_B      K    66_B     0.038     0    0.044   0.743     3.402  100.000   87.513
LGA    V    67_B      V    67_B     0.073     0    0.021   0.026     0.217  100.000  100.000
LGA    D    68_B      D    68_B     0.187     0    0.049   0.140     0.427  100.000  100.000
LGA    I    69_B      I    69_B     0.194     0    0.078   1.069     2.528  100.000   85.833
LGA    G    70_B      G    70_B     0.852     0    0.037   0.037     0.852   92.857   92.857
LGA    S    71_B      S    71_B     0.426     0    0.069   0.658     2.665   92.857   88.095
LGA    E    72_B      E    72_B     0.903     0    0.060   0.633     3.026   90.476   82.011
LGA    V    73_B      V    73_B     1.296     0    0.087   0.093     2.119   75.119   75.374
LGA    K    74_B      K    74_B     1.281     0    0.068   0.892     3.117   81.429   73.228
LGA    D    75_B      D    75_B     0.841     0    0.057   0.094     1.239   90.476   87.083
LGA    R    76_B      R    76_B     0.637     0    0.056   1.062     4.159   90.476   78.095
LGA    R    77_B      R    77_B     0.420     0    0.016   0.799     3.935  100.000   81.126
LGA    R    78_B      R    78_B     0.243     0    0.040   1.423     9.001   95.238   63.463
LGA    I    79_B      I    79_B     1.089     0    0.122   1.113     2.670   85.952   76.488
LGA    S    80_B      S    80_B     0.725     0    0.017   0.047     1.195   95.238   92.143
LGA    Y    81_B      Y    81_B     0.420     0    0.009   0.143     1.430   97.619   89.841
LGA    I    82_B      I    82_B     0.213     0    0.025   0.067     0.353  100.000  100.000
LGA    L    83_B      L    83_B     0.305     0    0.011   1.371     3.209   97.619   82.917
LGA    L    84_B      L    84_B     0.587     0    0.107   0.152     1.118   88.214   89.345
LGA    R    85_B      R    85_B     0.354     0    0.053   1.354     6.091  100.000   76.623
LGA    L    86_B      L    86_B     0.139     0    0.006   0.079     0.486  100.000  100.000
LGA    K    87_B      K    87_B     0.396     0    0.023   0.307     2.197  100.000   89.947
LGA    R    88_B      R    88_B     0.607     0    0.018   1.169     5.985   90.476   69.567
LGA    I    89_B      I    89_B     0.687     0    0.646   0.741     3.622   76.429   79.286
LGA    Y    90_B      Y    90_B     1.250     0    0.188   1.220    11.400   55.357   33.333

# 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):     0.697          0.817                  1.780           94.516   88.280

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   90   86    4.0     86    0.70    97.384    99.021    10.786

LGA_LOCAL      RMSD:   0.697  Number of atoms:   86  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.697  Number of assigned atoms:   86 
Std_ASGN_ATOMS RMSD:   0.697  Standard rmsd on all 86 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.995252 * X  +   0.018593 * Y  +   0.095537 * Z  +   9.692927
  Y_new =   0.032275 * X  +   0.989091 * Y  +   0.143726 * Z  +  10.189830
  Z_new =  -0.091823 * X  +   0.146127 * Y  +  -0.984995 * Z  +  -2.255292 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  3.109175  0.091952  2.994314   [DEG:  178.1426    5.2685  171.5616 ]
ZXZ:  2.554940  2.968143 -0.561024   [DEG:  146.3873  170.0621  -32.1443 ]
 
# END of job
