
#######################################################
#                                                     #
#                        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        0.91     0.91
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    86       5_B - 90_B        0.91     0.91
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    86       5_B - 90_B        0.91     0.91
  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      5    6   33   73   83   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      5   23   33   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     14   69   81   84   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     15   74   81   84   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     20   74   81   84   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     35   74   81   84   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     45   74   81   84   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     45   74   81   84   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     33   74   81   84   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     33   74   81   84   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     12   74   81   84   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   74   81   84   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     45   74   81   84   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     45   74   81   84   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     45   74   81   84   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     45   74   81   84   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     45   74   81   84   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     45   74   81   84   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     45   74   81   84   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     45   74   81   84   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     45   74   81   84   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     45   74   81   84   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     45   74   81   84   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     45   74   81   84   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     28   74   81   84   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     35   74   81   84   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     35   74   81   84   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     14   74   81   84   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     45   74   81   84   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     45   74   81   84   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     45   74   81   84   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     45   74   81   84   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     45   74   81   84   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     45   74   81   84   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     45   74   81   84   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     45   74   81   84   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     45   74   81   84   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     38   74   81   84   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     45   74   81   84   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     45   74   81   84   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     44   74   81   84   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     45   74   81   84   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     45   74   81   84   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     45   74   81   84   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     45   74   81   84   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     45   74   81   84   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     39   74   81   84   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     33   74   81   84   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     45   74   81   84   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     40   74   81   84   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     33   74   81   84   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     33   74   81   84   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     39   74   81   84   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     14   71   81   84   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      9   67   81   84   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      7   38   81   84   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     20   74   81   84   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     45   74   81   84   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     42   74   81   84   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     45   74   81   84   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     45   74   81   84   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     45   74   81   84   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     45   74   81   84   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     45   74   81   84   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     45   74   81   84   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     45   74   81   84   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     45   74   81   84   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   49   81   84   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      8   25   80   84   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      8   11   48   84   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      8   11   56   84   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      8   25   81   84   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     25   74   81   84   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     45   74   81   84   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     28   74   81   84   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     35   74   81   84   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     35   74   81   84   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     35   74   81   84   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     45   74   81   84   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     45   74   81   84   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     45   74   81   84   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     45   74   81   84   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     45   74   81   84   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     27   74   81   84   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     20   74   81   84   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     35   74   81   84   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     45     74     81     84     85     86     86     86     86     86     86     86     86     86     86     86     86     86     86     86 
GDT PERCENT_AT  52.33  86.05  94.19  97.67  98.84 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.33   0.52   0.67   0.79   0.85   0.91   0.91   0.91   0.91   0.91   0.91   0.91   0.91   0.91   0.91   0.91   0.91   0.91   0.91   0.91
GDT RMS_ALL_AT   0.97   0.99   0.94   0.92   0.92   0.91   0.91   0.91   0.91   0.91   0.91   0.91   0.91   0.91   0.91   0.91   0.91   0.91   0.91   0.91

# 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:  E    72_B      E    72_B
#   possible swapping detected:  Y    81_B      Y    81_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    K     5_B      K     5_B     3.115     0    0.587   0.666    12.915   54.286   29.259
LGA    P     6_B      P     6_B     2.833     0    0.063   0.091     4.328   60.952   52.517
LGA    N     7_B      N     7_B     1.084     0    0.259   0.232     1.722   86.190   83.869
LGA    E     8_B      E     8_B     1.228     0    0.119   0.898     5.203   81.548   61.270
LGA    I     9_B      I     9_B     1.166     0    0.089   0.110     1.474   81.429   82.560
LGA    V    10_B      V    10_B     0.963     0    0.016   0.076     1.304   85.952   85.306
LGA    I    11_B      I    11_B     0.604     0    0.048   0.090     0.714   90.476   95.238
LGA    T    12_B      T    12_B     0.960     0    0.131   0.231     1.394   88.214   85.306
LGA    K    13_B      K    13_B     0.998     0    0.036   0.925     4.937   85.952   73.704
LGA    S    14_B      S    14_B     1.271     0    0.040   0.131     1.405   83.690   82.937
LGA    K    15_B      K    15_B     0.644     0    0.191   0.642     1.479   88.214   89.524
LGA    R    16_B      R    16_B     0.496     0    0.031   0.701     1.677   97.619   90.649
LGA    I    17_B      I    17_B     0.323     0    0.022   0.665     2.317  100.000   94.405
LGA    E    18_B      E    18_B     0.271     0    0.014   0.872     3.686  100.000   85.026
LGA    D    19_B      D    19_B     0.368     0    0.038   0.188     0.989  100.000   95.238
LGA    Y    20_B      Y    20_B     0.296     0    0.033   0.210     0.552  100.000   99.206
LGA    V    21_B      V    21_B     0.176     0    0.026   0.035     0.259  100.000  100.000
LGA    L    22_B      L    22_B     0.291     0    0.025   1.383     3.150  100.000   85.000
LGA    D    23_B      D    23_B     0.323     0    0.024   0.083     0.743  100.000   96.429
LGA    T    24_B      T    24_B     0.169     0    0.017   0.082     0.203  100.000  100.000
LGA    I    25_B      I    25_B     0.309     0    0.044   0.125     0.955  100.000   97.619
LGA    I    26_B      I    26_B     0.150     0    0.038   0.055     0.439  100.000  100.000
LGA    L    27_B      L    27_B     0.317     0    0.014   0.118     0.608   97.619   97.619
LGA    F    28_B      F    28_B     0.572     0    0.024   0.132     0.747   90.476   95.671
LGA    N    29_B      N    29_B     0.876     0    0.016   1.387     4.684   88.214   71.131
LGA    Q    30_B      Q    30_B     0.893     0    0.049   0.080     0.949   90.476   90.476
LGA    G    31_B      G    31_B     1.085     0    0.034   0.034     1.085   85.952   85.952
LGA    Y    32_B      Y    32_B     0.804     0    0.101   0.119     0.933   90.476   90.476
LGA    E    33_B      E    33_B     0.431     0    0.013   0.692     2.285  100.000   86.032
LGA    E    34_B      E    34_B     0.116     0    0.022   0.163     1.246  100.000   94.815
LGA    V    35_B      V    35_B     0.228     0    0.055   0.070     0.357  100.000  100.000
LGA    E    36_B      E    36_B     0.356     0    0.036   0.252     0.843   97.619   97.884
LGA    I    37_B      I    37_B     0.486     0    0.048   0.079     0.843  100.000   96.429
LGA    R    38_B      R    38_B     0.729     0    0.052   1.462     6.665   90.476   69.221
LGA    G    39_B      G    39_B     0.653     0    0.118   0.118     1.021   88.214   88.214
LGA    S    40_B      S    40_B     0.783     0    0.040   0.130     1.519   90.476   86.032
LGA    G    41_B      G    41_B     0.580     0    0.020   0.020     0.589   92.857   92.857
LGA    Q    42_B      Q    42_B     0.806     0    0.014   0.812     2.631   90.476   77.196
LGA    E    43_B      E    43_B     0.502     0    0.030   1.183     4.498   95.238   83.968
LGA    I    44_B      I    44_B     0.095     0    0.016   0.069     0.309  100.000  100.000
LGA    N    45_B      N    45_B     0.539     0    0.087   0.833     3.550   97.619   80.774
LGA    K    46_B      K    46_B     0.445     0    0.031   1.011     6.564  100.000   73.280
LGA    A    47_B      A    47_B     0.312     0    0.017   0.018     0.534   97.619   98.095
LGA    I    48_B      I    48_B     0.448     0    0.043   0.052     0.689   95.238   97.619
LGA    E    49_B      E    49_B     0.567     0    0.015   1.088     4.819   95.238   72.698
LGA    V    50_B      V    50_B     0.228     0    0.024   0.044     0.341  100.000  100.000
LGA    Y    51_B      Y    51_B     0.508     0    0.019   0.129     0.751   92.857   91.270
LGA    N    52_B      N    52_B     0.785     0    0.040   0.086     1.005   88.214   89.345
LGA    Q    53_B      Q    53_B     0.544     0    0.016   0.172     1.126   92.857   91.587
LGA    L    54_B      L    54_B     0.450     0    0.013   0.088     0.645   95.238   97.619
LGA    V    55_B      V    55_B     0.833     0    0.040   0.067     1.400   90.476   86.599
LGA    D    56_B      D    56_B     0.739     0    0.021   0.741     3.299   90.476   77.143
LGA    R    57_B      R    57_B     0.510     0    0.016   1.437     7.850   90.595   60.823
LGA    L    58_B      L    58_B     1.034     0    0.027   0.072     1.301   83.690   85.952
LGA    K    59_B      K    59_B     1.212     0    0.062   1.313     6.054   81.429   65.238
LGA    E    60_B      E    60_B     1.610     0    0.014   0.826     3.112   77.143   69.577
LGA    G    61_B      G    61_B     0.981     0    0.067   0.067     1.184   88.214   88.214
LGA    V    62_B      V    62_B     0.462     0    0.069   1.217     3.143   97.619   85.102
LGA    R    63_B      R    63_B     0.395     0    0.048   1.181     4.480   97.619   81.126
LGA    L    64_B      L    64_B     0.231     0    0.097   0.127     0.621   97.619   98.810
LGA    E    65_B      E    65_B     0.339     0    0.038   0.209     0.556   97.619   98.942
LGA    K    66_B      K    66_B     0.277     0    0.081   0.172     0.679  100.000   96.825
LGA    V    67_B      V    67_B     0.397     0    0.039   0.061     0.717  100.000   95.918
LGA    D    68_B      D    68_B     0.497     0    0.074   0.081     0.683   95.238   95.238
LGA    I    69_B      I    69_B     0.423     0    0.106   1.100     3.388   97.619   80.714
LGA    G    70_B      G    70_B     0.460     0    0.026   0.026     0.644   95.238   95.238
LGA    S    71_B      S    71_B     0.608     0    0.038   0.050     0.783   90.476   90.476
LGA    E    72_B      E    72_B     1.178     0    0.040   0.963     6.642   85.952   59.153
LGA    V    73_B      V    73_B     1.601     0    0.035   0.038     2.797   66.905   65.986
LGA    K    74_B      K    74_B     2.347     0    0.028   1.216     7.333   68.810   48.254
LGA    D    75_B      D    75_B     2.433     0    0.072   0.117     2.762   64.762   60.952
LGA    R    76_B      R    76_B     1.634     0    0.071   1.027     3.241   77.143   66.623
LGA    R    77_B      R    77_B     0.632     0    0.010   1.283     7.518   90.476   61.991
LGA    R    78_B      R    78_B     0.590     0    0.029   0.225     3.108   88.214   77.273
LGA    I    79_B      I    79_B     1.254     0    0.114   1.145     2.854   85.952   75.417
LGA    S    80_B      S    80_B     0.837     0    0.062   0.704     1.806   90.476   87.540
LGA    Y    81_B      Y    81_B     0.736     0    0.054   1.370    10.256   90.476   50.952
LGA    I    82_B      I    82_B     0.706     0    0.050   0.180     0.854   90.476   90.476
LGA    L    83_B      L    83_B     0.502     0    0.028   0.752     2.040   92.857   87.321
LGA    L    84_B      L    84_B     0.265     0    0.015   0.748     1.814  100.000   92.024
LGA    R    85_B      R    85_B     0.347     0    0.038   1.218     6.571  100.000   74.892
LGA    L    86_B      L    86_B     0.309     0    0.048   1.348     3.383  100.000   83.095
LGA    K    87_B      K    87_B     0.246     0    0.037   0.187     1.011  100.000   95.820
LGA    R    88_B      R    88_B     0.615     0    0.029   1.172     6.450   90.476   68.052
LGA    I    89_B      I    89_B     0.829     0    0.026   0.620     1.931   88.214   83.750
LGA    Y    90_B      Y    90_B     0.841     0    0.498   1.463     9.933   83.810   45.794

# 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):     0.913          0.910                  2.113           91.326   83.589

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   90   86    4.0     86    0.91    95.930    98.225     8.491

LGA_LOCAL      RMSD:   0.913  Number of atoms:   86  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.913  Number of assigned atoms:   86 
Std_ASGN_ATOMS RMSD:   0.913  Standard rmsd on all 86 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.715779 * X  +   0.665322 * Y  +   0.212146 * Z  +   7.721883
  Y_new =  -0.697865 * X  +   0.692537 * Y  +   0.182694 * Z  +  10.612396
  Z_new =  -0.025369 * X  +  -0.278818 * Y  +   0.960009 * Z  +  12.366744 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.772727  0.025372 -0.282656   [DEG:  -44.2740    1.4537  -16.1950 ]
ZXZ:  2.281739  0.283762 -3.050856   [DEG:  130.7340   16.2584 -174.8011 ]
 
# END of job
