
#######################################################
#                                                     #
#                        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   87 (  616),  selected   87 , name one
# Molecule2: number of CA atoms   87 (  616),  selected   87 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    87       1_A - 87_A        1.99     1.99
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    87       1_A - 87_A        1.99     1.99
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    85       3_A - 87_A        0.96     2.06
  LCS_AVERAGE:     95.56

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   87
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     G     1_A     G     1_A      4   87   87      3    3    4    4    5    5    7    7    8   10   11   14   25   31   31   72   83   87   87   87 
LCS_GDT     S     2_A     S     2_A      4   87   87      3    3    4    4    5   28   44   71   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A     3_A     A     3_A     85   87   87      3    3    4    4    5    5   14   30   68   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     D     4_A     D     4_A     85   87   87     70   80   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     L     5_A     L     5_A     85   87   87     70   80   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A     6_A     A     6_A     85   87   87     70   80   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     H     7_A     H     7_A     85   87   87     70   80   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G     8_A     G     8_A     85   87   87     70   80   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     K     9_A     K     9_A     85   87   87     70   80   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    10_A     A    10_A     85   87   87     70   80   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     I    11_A     I    11_A     85   87   87     70   80   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     F    12_A     F    12_A     85   87   87     70   80   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    13_A     A    13_A     85   87   87     70   80   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G    14_A     G    14_A     85   87   87     70   80   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     N    15_A     N    15_A     85   87   87     70   80   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     C    16_A     C    16_A     85   87   87     70   80   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    17_A     A    17_A     85   87   87     70   80   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    18_A     A    18_A     85   87   87     70   80   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     C    19_A     C    19_A     85   87   87     37   80   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     H    20_A     H    20_A     85   87   87     70   80   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     N    21_A     N    21_A     85   87   87     59   80   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G    22_A     G    22_A     85   87   87     70   80   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G    23_A     G    23_A     85   87   87     37   80   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     L    24_A     L    24_A     85   87   87     70   80   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     N    25_A     N    25_A     85   87   87     70   80   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    26_A     A    26_A     85   87   87     70   80   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     I    27_A     I    27_A     85   87   87     70   80   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     N    28_A     N    28_A     85   87   87     70   80   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     P    29_A     P    29_A     85   87   87     70   80   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     S    30_A     S    30_A     85   87   87     53   80   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     K    31_A     K    31_A     85   87   87     70   80   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     T    32_A     T    32_A     85   87   87     70   80   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     L    33_A     L    33_A     85   87   87     70   80   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     K    34_A     K    34_A     85   87   87     70   80   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     M    35_A     M    35_A     85   87   87     70   80   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    36_A     A    36_A     85   87   87     70   80   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     D    37_A     D    37_A     85   87   87     70   80   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     L    38_A     L    38_A     85   87   87     70   80   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     E    39_A     E    39_A     85   87   87     70   80   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    40_A     A    40_A     85   87   87     70   80   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     N    41_A     N    41_A     85   87   87     70   80   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G    42_A     G    42_A     85   87   87     45   80   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     K    43_A     K    43_A     85   87   87     70   80   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     N    44_A     N    44_A     85   87   87     70   80   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     S    45_A     S    45_A     85   87   87     70   80   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     V    46_A     V    46_A     85   87   87     70   80   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    47_A     A    47_A     85   87   87     70   80   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    48_A     A    48_A     85   87   87     70   80   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     I    49_A     I    49_A     85   87   87     70   80   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     V    50_A     V    50_A     85   87   87     70   80   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    51_A     A    51_A     85   87   87     70   80   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     Q    52_A     Q    52_A     85   87   87     70   80   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     I    53_A     I    53_A     85   87   87     70   80   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     T    54_A     T    54_A     85   87   87     70   80   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     N    55_A     N    55_A     85   87   87     70   80   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G    56_A     G    56_A     85   87   87     70   80   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     N    57_A     N    57_A     85   87   87     48   80   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G    58_A     G    58_A     85   87   87     29   80   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    59_A     A    59_A     85   87   87     48   80   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     M    60_A     M    60_A     85   87   87     62   80   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     P    61_A     P    61_A     85   87   87     48   80   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G    62_A     G    62_A     85   87   87     70   80   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     F    63_A     F    63_A     85   87   87     70   80   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     K    64_A     K    64_A     85   87   87     70   80   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G    65_A     G    65_A     85   87   87     70   80   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     R    66_A     R    66_A     85   87   87     70   80   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     I    67_A     I    67_A     85   87   87     70   80   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     S    68_A     S    68_A     85   87   87     70   80   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     D    69_A     D    69_A     85   87   87     70   80   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     S    70_A     S    70_A     85   87   87     70   80   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     D    71_A     D    71_A     85   87   87     70   80   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     M    72_A     M    72_A     85   87   87     70   80   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     E    73_A     E    73_A     85   87   87     70   80   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     D    74_A     D    74_A     85   87   87     70   80   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     V    75_A     V    75_A     85   87   87     70   80   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    76_A     A    76_A     85   87   87     70   80   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    77_A     A    77_A     85   87   87     70   80   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     Y    78_A     Y    78_A     85   87   87     70   80   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     V    79_A     V    79_A     85   87   87     70   80   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     L    80_A     L    80_A     85   87   87     70   80   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     D    81_A     D    81_A     85   87   87     70   80   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     Q    82_A     Q    82_A     85   87   87     70   80   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    83_A     A    83_A     85   87   87     70   80   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     E    84_A     E    84_A     85   87   87     34   80   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     K    85_A     K    85_A     85   87   87     45   80   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G    86_A     G    86_A     85   87   87     29   74   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     W    87_A     W    87_A     85   87   87      0    3   81   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_AVERAGE  LCS_A:  98.52  (  95.56  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     70     80     83     84     84     84     84     84     85     86     86     86     86     86     86     86     86     87     87     87 
GDT PERCENT_AT  80.46  91.95  95.40  96.55  96.55  96.55  96.55  96.55  97.70  98.85  98.85  98.85  98.85  98.85  98.85  98.85  98.85 100.00 100.00 100.00
GDT RMS_LOCAL    0.31   0.38   0.45   0.51   0.51   0.51   0.51   0.51   1.03   1.29   1.29   1.29   1.29   1.29   1.29   1.29   1.29   1.99   1.99   1.99
GDT RMS_ALL_AT   2.11   2.10   2.11   2.11   2.11   2.11   2.11   2.11   2.05   2.02   2.02   2.02   2.02   2.02   2.02   2.02   2.02   1.99   1.99   1.99

# Checking swapping
#   possible swapping detected:  D     4_A      D     4_A
#   possible swapping detected:  F    63_A      F    63_A
#   possible swapping detected:  E    73_A      E    73_A
#   possible swapping detected:  Y    78_A      Y    78_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     1_A      G     1_A    15.275     0    0.086   0.086    17.283    0.000    0.000
LGA    S     2_A      S     2_A     8.497     0    0.013   0.755    10.872    3.690    8.254
LGA    A     3_A      A     3_A     7.690     0    0.641   0.598     9.279   15.476   12.667
LGA    D     4_A      D     4_A     0.476     0    0.586   1.370     5.570   87.500   65.357
LGA    L     5_A      L     5_A     0.395     0    0.037   0.064     0.426  100.000  100.000
LGA    A     6_A      A     6_A     0.531     0    0.031   0.032     0.652   92.857   92.381
LGA    H     7_A      H     7_A     0.434     0    0.000   1.113     2.376  100.000   88.286
LGA    G     8_A      G     8_A     0.343     0    0.025   0.025     0.436  100.000  100.000
LGA    K     9_A      K     9_A     0.448     0    0.004   0.081     0.821  100.000   95.767
LGA    A    10_A      A    10_A     0.457     0    0.022   0.022     0.541  100.000   98.095
LGA    I    11_A      I    11_A     0.380     0    0.012   0.037     0.685  100.000   97.619
LGA    F    12_A      F    12_A     0.321     0    0.003   0.056     0.391  100.000  100.000
LGA    A    13_A      A    13_A     0.155     0    0.014   0.014     0.276  100.000  100.000
LGA    G    14_A      G    14_A     0.357     0    0.039   0.039     0.357  100.000  100.000
LGA    N    15_A      N    15_A     0.334     0    0.027   0.073     0.634  100.000   98.810
LGA    C    16_A      C    16_A     0.219     0    0.035   0.054     0.399  100.000  100.000
LGA    A    17_A      A    17_A     0.326     0    0.022   0.023     0.379  100.000  100.000
LGA    A    18_A      A    18_A     0.459     0    0.038   0.041     0.732  100.000   98.095
LGA    C    19_A      C    19_A     0.731     0    0.029   0.102     1.028   90.476   88.968
LGA    H    20_A      H    20_A     0.383     0    0.106   0.098     0.618   95.238   98.095
LGA    N    21_A      N    21_A     0.772     0    0.027   0.405     1.586   95.238   87.262
LGA    G    22_A      G    22_A     0.442     0    0.014   0.014     0.562   97.619   97.619
LGA    G    23_A      G    23_A     0.621     0    0.029   0.029     0.621   95.238   95.238
LGA    L    24_A      L    24_A     0.224     0    0.122   0.247     0.878   97.619   97.619
LGA    N    25_A      N    25_A     0.333     0    0.035   0.043     0.398  100.000  100.000
LGA    A    26_A      A    26_A     0.317     0    0.127   0.136     0.556   97.619   98.095
LGA    I    27_A      I    27_A     0.526     0    0.016   0.635     2.021   95.238   89.643
LGA    N    28_A      N    28_A     0.563     0    0.039   0.076     1.082   92.857   90.536
LGA    P    29_A      P    29_A     0.581     0    0.019   0.054     0.651   90.476   93.197
LGA    S    30_A      S    30_A     0.678     0    0.017   0.689     3.198   90.476   83.730
LGA    K    31_A      K    31_A     0.490     0    0.031   0.559     2.017   97.619   89.788
LGA    T    32_A      T    32_A     0.234     0    0.013   0.040     0.319  100.000  100.000
LGA    L    33_A      L    33_A     0.022     0    0.011   0.097     0.232  100.000  100.000
LGA    K    34_A      K    34_A     0.108     0    0.022   0.125     1.138  100.000   95.820
LGA    M    35_A      M    35_A     0.262     0    0.035   0.052     0.464  100.000  100.000
LGA    A    36_A      A    36_A     0.101     0    0.029   0.030     0.276  100.000  100.000
LGA    D    37_A      D    37_A     0.179     0    0.014   0.135     0.774  100.000   98.810
LGA    L    38_A      L    38_A     0.188     0    0.008   0.038     0.288  100.000  100.000
LGA    E    39_A      E    39_A     0.217     0    0.011   0.966     3.129  100.000   81.005
LGA    A    40_A      A    40_A     0.312     0    0.031   0.033     0.420  100.000  100.000
LGA    N    41_A      N    41_A     0.382     0    0.016   0.061     0.605   97.619   97.619
LGA    G    42_A      G    42_A     0.532     0    0.023   0.023     0.617   90.476   90.476
LGA    K    43_A      K    43_A     0.483     0    0.148   0.174     1.163   97.619   93.704
LGA    N    44_A      N    44_A     0.269     0    0.151   0.128     1.070   97.619   94.107
LGA    S    45_A      S    45_A     0.258     0    0.023   0.062     0.412  100.000  100.000
LGA    V    46_A      V    46_A     0.266     0    0.014   0.022     0.433  100.000  100.000
LGA    A    47_A      A    47_A     0.280     0    0.016   0.016     0.372  100.000  100.000
LGA    A    48_A      A    48_A     0.242     0    0.049   0.057     0.374  100.000  100.000
LGA    I    49_A      I    49_A     0.159     0    0.016   0.053     0.204  100.000  100.000
LGA    V    50_A      V    50_A     0.134     0    0.013   0.044     0.182  100.000  100.000
LGA    A    51_A      A    51_A     0.190     0    0.004   0.008     0.255  100.000  100.000
LGA    Q    52_A      Q    52_A     0.251     0    0.002   0.251     1.273  100.000   95.820
LGA    I    53_A      I    53_A     0.170     0    0.003   0.028     0.498  100.000  100.000
LGA    T    54_A      T    54_A     0.154     0    0.009   0.020     0.166  100.000  100.000
LGA    N    55_A      N    55_A     0.180     0    0.026   0.084     0.242  100.000  100.000
LGA    G    56_A      G    56_A     0.338     0    0.019   0.019     0.501   97.619   97.619
LGA    N    57_A      N    57_A     0.596     0    0.081   0.200     1.211   95.238   90.595
LGA    G    58_A      G    58_A     1.186     0    0.018   0.018     1.186   81.429   81.429
LGA    A    59_A      A    59_A     0.885     0    0.089   0.097     0.914   90.476   90.476
LGA    M    60_A      M    60_A     0.520     0    0.019   0.194     0.641   90.476   94.048
LGA    P    61_A      P    61_A     0.630     0    0.000   0.042     0.820   95.238   93.197
LGA    G    62_A      G    62_A     0.255     0    0.044   0.044     0.465  100.000  100.000
LGA    F    63_A      F    63_A     0.307     0    0.033   0.058     0.425  100.000  100.000
LGA    K    64_A      K    64_A     0.251     0    0.017   0.532     2.027  100.000   92.011
LGA    G    65_A      G    65_A     0.457     0    0.046   0.046     0.653   95.238   95.238
LGA    R    66_A      R    66_A     0.391     0    0.075   1.085     4.537   97.619   81.775
LGA    I    67_A      I    67_A     0.235     0    0.031   0.048     0.347  100.000  100.000
LGA    S    68_A      S    68_A     0.275     0    0.019   0.024     0.357  100.000  100.000
LGA    D    69_A      D    69_A     0.243     0    0.006   0.234     0.685  100.000   98.810
LGA    S    70_A      S    70_A     0.464     0    0.015   0.596     1.828  100.000   93.889
LGA    D    71_A      D    71_A     0.206     0    0.040   0.105     0.470  100.000  100.000
LGA    M    72_A      M    72_A     0.247     0    0.013   0.237     0.866  100.000   98.810
LGA    E    73_A      E    73_A     0.427     0    0.012   0.696     2.503  100.000   87.249
LGA    D    74_A      D    74_A     0.301     0    0.016   0.024     0.405  100.000  100.000
LGA    V    75_A      V    75_A     0.276     0    0.044   1.135     2.368  100.000   88.571
LGA    A    76_A      A    76_A     0.330     0    0.016   0.018     0.409  100.000  100.000
LGA    A    77_A      A    77_A     0.304     0    0.015   0.014     0.353  100.000  100.000
LGA    Y    78_A      Y    78_A     0.161     0    0.013   0.026     0.410  100.000  100.000
LGA    V    79_A      V    79_A     0.158     0    0.013   0.036     0.234  100.000  100.000
LGA    L    80_A      L    80_A     0.288     0    0.022   0.143     0.448  100.000  100.000
LGA    D    81_A      D    81_A     0.345     0    0.010   0.017     0.771  100.000   96.429
LGA    Q    82_A      Q    82_A     0.214     0    0.014   1.055     2.685  100.000   92.222
LGA    A    83_A      A    83_A     0.368     0    0.014   0.018     0.463  100.000  100.000
LGA    E    84_A      E    84_A     0.801     0    0.066   1.188     4.827   90.476   71.217
LGA    K    85_A      K    85_A     1.200     0    0.097   0.818     2.020   81.429   81.693
LGA    G    86_A      G    86_A     1.237     0    0.547   0.547     4.186   68.452   68.452
LGA    W    87_A      W    87_A     2.228     0    0.054   0.791     5.800   49.762   56.361

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       87     348    348  100.00     616    616  100.00                87
SUMMARY(RMSD_GDC):     1.991          1.988                  1.800           93.701   91.524

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   87   87    4.0     84    0.51    95.977    97.590    13.842

LGA_LOCAL      RMSD:   0.507  Number of atoms:   84  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.107  Number of assigned atoms:   87 
Std_ASGN_ATOMS RMSD:   1.991  Standard rmsd on all 87 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.248800 * X  +   0.616634 * Y  +  -0.746901 * Z  +  10.394908
  Y_new =   0.517485 * X  +  -0.736487 * Y  +  -0.435657 * Z  +  30.141632
  Z_new =  -0.818724 * X  +  -0.278119 * Y  +  -0.502336 * Z  +  85.843376 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.122637  0.959184 -2.635952   [DEG:   64.3223   54.9572 -151.0289 ]
ZXZ: -1.042758  2.097095 -1.898264   [DEG:  -59.7456  120.1547 -108.7625 ]
 
# END of job
