
#######################################################
#                                                     #
#                        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   89 (  636),  selected   89 , name one
# Molecule2: number of CA atoms   89 (  636),  selected   89 , 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:    89       1_A - 89_A        1.03     1.03
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    89       1_A - 89_A        1.03     1.03
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    88       1_A - 88_A        0.82     1.03
  LONGEST_CONTINUOUS_SEGMENT:    88       2_A - 89_A        0.92     1.03
  LCS_AVERAGE:     98.88

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   89
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     88   89   89      3    3    5   24   73   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     S     2_A     S     2_A     88   89   89      3    3    5    6    6   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A     3_A     A     3_A     88   89   89     67   84   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     D     4_A     D     4_A     88   89   89     74   84   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     L     5_A     L     5_A     88   89   89     74   84   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A     6_A     A     6_A     88   89   89     67   84   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     H     7_A     H     7_A     88   89   89     74   84   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G     8_A     G     8_A     88   89   89     74   84   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G     9_A     G     9_A     88   89   89     74   84   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Q    10_A     Q    10_A     88   89   89     74   84   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     V    11_A     V    11_A     88   89   89     74   84   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     F    12_A     F    12_A     88   89   89     74   84   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     S    13_A     S    13_A     88   89   89     74   84   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    14_A     A    14_A     88   89   89     74   84   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     N    15_A     N    15_A     88   89   89     74   84   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     C    16_A     C    16_A     88   89   89     74   84   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    17_A     A    17_A     88   89   89     74   84   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    18_A     A    18_A     88   89   89     73   84   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     C    19_A     C    19_A     88   89   89     74   84   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     H    20_A     H    20_A     88   89   89     74   84   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     L    21_A     L    21_A     88   89   89     74   84   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    22_A     G    22_A     88   89   89     74   84   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    23_A     G    23_A     88   89   89     74   84   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     R    24_A     R    24_A     88   89   89     74   84   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     N    25_A     N    25_A     88   89   89     74   84   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     V    26_A     V    26_A     88   89   89     74   84   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     V    27_A     V    27_A     88   89   89     68   84   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     N    28_A     N    28_A     88   89   89     74   84   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     P    29_A     P    29_A     88   89   89     74   84   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    30_A     A    30_A     88   89   89     74   84   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     K    31_A     K    31_A     88   89   89     74   84   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     T    32_A     T    32_A     88   89   89     74   84   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     L    33_A     L    33_A     88   89   89     74   84   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Q    34_A     Q    34_A     88   89   89     74   84   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     K    35_A     K    35_A     88   89   89     74   84   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    36_A     A    36_A     88   89   89     74   84   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     D    37_A     D    37_A     88   89   89     74   84   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     L    38_A     L    38_A     88   89   89     74   84   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     D    39_A     D    39_A     88   89   89     74   84   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Q    40_A     Q    40_A     88   89   89     74   84   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Y    41_A     Y    41_A     88   89   89     74   84   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    42_A     G    42_A     88   89   89     74   84   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     M    43_A     M    43_A     88   89   89     74   84   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    44_A     A    44_A     88   89   89     74   84   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     S    45_A     S    45_A     88   89   89     74   84   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     I    46_A     I    46_A     88   89   89     74   84   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     E    47_A     E    47_A     88   89   89     72   84   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    48_A     A    48_A     88   89   89     74   84   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     I    49_A     I    49_A     88   89   89     74   84   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     T    50_A     T    50_A     88   89   89     74   84   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     T    51_A     T    51_A     88   89   89     74   84   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Q    52_A     Q    52_A     88   89   89     74   84   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     V    53_A     V    53_A     88   89   89     74   84   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     T    54_A     T    54_A     88   89   89     74   84   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     N    55_A     N    55_A     88   89   89     74   84   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    56_A     G    56_A     88   89   89     74   84   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     K    57_A     K    57_A     88   89   89     58   84   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    58_A     G    58_A     88   89   89     34   84   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    59_A     A    59_A     88   89   89     45   84   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     M    60_A     M    60_A     88   89   89     74   84   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     P    61_A     P    61_A     88   89   89     74   84   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    62_A     A    62_A     88   89   89     74   84   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     F    63_A     F    63_A     88   89   89     74   84   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    64_A     G    64_A     88   89   89     74   84   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     S    65_A     S    65_A     88   89   89     73   84   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     K    66_A     K    66_A     88   89   89     74   84   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     L    67_A     L    67_A     88   89   89     74   84   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     S    68_A     S    68_A     88   89   89     74   84   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    69_A     A    69_A     88   89   89     74   84   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     D    70_A     D    70_A     88   89   89     74   84   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     D    71_A     D    71_A     88   89   89     74   84   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     I    72_A     I    72_A     88   89   89     74   84   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    73_A     A    73_A     88   89   89     74   84   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     D    74_A     D    74_A     88   89   89     74   84   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     V    75_A     V    75_A     88   89   89     74   84   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    76_A     A    76_A     88   89   89     74   84   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     S    77_A     S    77_A     88   89   89     74   84   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Y    78_A     Y    78_A     88   89   89     74   84   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     V    79_A     V    79_A     88   89   89     74   84   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     L    80_A     L    80_A     88   89   89     74   84   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     D    81_A     D    81_A     88   89   89     74   84   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Q    82_A     Q    82_A     88   89   89     74   84   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     S    83_A     S    83_A     88   89   89     74   84   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     E    84_A     E    84_A     88   89   89     74   84   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     K    85_A     K    85_A     88   89   89     10   84   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    86_A     G    86_A     88   89   89     34   84   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     W    87_A     W    87_A     88   89   89     74   84   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Q    88_A     Q    88_A     88   89   89      3    6    9   82   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    89_A     G    89_A     88   89   89      3    3    3   17   27   37   70   83   87   89   89   89   89   89   89   89   89   89   89   89 
LCS_AVERAGE  LCS_A:  99.63  (  98.88  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     74     84     85     85     86     86     87     88     88     89     89     89     89     89     89     89     89     89     89     89 
GDT PERCENT_AT  83.15  94.38  95.51  95.51  96.63  96.63  97.75  98.88  98.88 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.28   0.36   0.38   0.38   0.51   0.51   0.68   0.82   0.82   1.03   1.03   1.03   1.03   1.03   1.03   1.03   1.03   1.03   1.03   1.03
GDT RMS_ALL_AT   1.05   1.05   1.05   1.05   1.04   1.04   1.04   1.03   1.03   1.03   1.03   1.03   1.03   1.03   1.03   1.03   1.03   1.03   1.03   1.03

# Checking swapping
#   possible swapping detected:  E    47_A      E    47_A
#   possible swapping detected:  F    63_A      F    63_A
#   possible swapping detected:  Y    78_A      Y    78_A
#   possible swapping detected:  E    84_A      E    84_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     1_A      G     1_A     4.341     0    0.096   0.096     4.341   53.214   53.214
LGA    S     2_A      S     2_A     4.087     0    0.026   0.681     6.666   42.143   33.175
LGA    A     3_A      A     3_A     0.675     0    0.385   0.399     1.754   88.214   85.143
LGA    D     4_A      D     4_A     0.312     0    0.034   0.062     0.574  100.000   98.810
LGA    L     5_A      L     5_A     0.291     0    0.082   0.071     0.489  100.000  100.000
LGA    A     6_A      A     6_A     0.647     0    0.053   0.062     0.918   92.857   92.381
LGA    H     7_A      H     7_A     0.486     0    0.051   0.127     0.572   97.619   94.286
LGA    G     8_A      G     8_A     0.237     0    0.022   0.022     0.371  100.000  100.000
LGA    G     9_A      G     9_A     0.237     0    0.031   0.031     0.237  100.000  100.000
LGA    Q    10_A      Q    10_A     0.268     0    0.037   0.094     0.573  100.000   98.942
LGA    V    11_A      V    11_A     0.262     0    0.033   0.037     0.344  100.000  100.000
LGA    F    12_A      F    12_A     0.149     0    0.019   0.052     0.240  100.000  100.000
LGA    S    13_A      S    13_A     0.179     0    0.021   0.652     1.881  100.000   95.476
LGA    A    14_A      A    14_A     0.268     0    0.044   0.067     0.471  100.000  100.000
LGA    N    15_A      N    15_A     0.367     0    0.036   0.062     0.584   97.619   97.619
LGA    C    16_A      C    16_A     0.140     0    0.049   0.111     0.544  100.000   98.413
LGA    A    17_A      A    17_A     0.189     0    0.083   0.093     0.474  100.000  100.000
LGA    A    18_A      A    18_A     0.473     0    0.022   0.027     0.609  100.000   98.095
LGA    C    19_A      C    19_A     0.209     0    0.022   0.057     0.471  100.000  100.000
LGA    H    20_A      H    20_A     0.061     0    0.059   0.118     0.488  100.000  100.000
LGA    L    21_A      L    21_A     0.236     0    0.035   0.131     0.641  100.000   97.619
LGA    G    22_A      G    22_A     0.378     0    0.096   0.096     0.610   97.619   97.619
LGA    G    23_A      G    23_A     0.241     0    0.013   0.013     0.299  100.000  100.000
LGA    R    24_A      R    24_A     0.226     0    0.040   1.369     4.474  100.000   84.026
LGA    N    25_A      N    25_A     0.195     0    0.037   0.062     0.295  100.000  100.000
LGA    V    26_A      V    26_A     0.507     0    0.025   0.030     0.662   92.857   91.837
LGA    V    27_A      V    27_A     0.635     0    0.019   0.060     0.842   90.476   90.476
LGA    N    28_A      N    28_A     0.406     0    0.025   0.056     0.609  100.000   98.810
LGA    P    29_A      P    29_A     0.421     0    0.035   0.037     0.609  100.000   97.279
LGA    A    30_A      A    30_A     0.453     0    0.064   0.060     0.668  100.000   98.095
LGA    K    31_A      K    31_A     0.374     0    0.057   0.142     0.978  100.000   97.884
LGA    T    32_A      T    32_A     0.243     0    0.020   0.076     0.247  100.000  100.000
LGA    L    33_A      L    33_A     0.049     0    0.016   0.085     0.327  100.000  100.000
LGA    Q    34_A      Q    34_A     0.047     0    0.037   0.948     4.102  100.000   84.339
LGA    K    35_A      K    35_A     0.199     0    0.019   0.429     2.462  100.000   92.963
LGA    A    36_A      A    36_A     0.259     0    0.046   0.056     0.419  100.000  100.000
LGA    D    37_A      D    37_A     0.299     0    0.011   0.129     0.673  100.000   98.810
LGA    L    38_A      L    38_A     0.251     0    0.029   0.109     0.376  100.000  100.000
LGA    D    39_A      D    39_A     0.258     0    0.030   0.117     0.343  100.000  100.000
LGA    Q    40_A      Q    40_A     0.414     0    0.042   0.070     1.021   95.238   92.646
LGA    Y    41_A      Y    41_A     0.427     0    0.030   0.117     0.613  100.000   96.825
LGA    G    42_A      G    42_A     0.384     0    0.039   0.039     0.384  100.000  100.000
LGA    M    43_A      M    43_A     0.288     0    0.076   0.097     0.413  100.000  100.000
LGA    A    44_A      A    44_A     0.469     0    0.023   0.036     0.524  100.000   98.095
LGA    S    45_A      S    45_A     0.293     0    0.046   0.050     0.445  100.000  100.000
LGA    I    46_A      I    46_A     0.218     0    0.014   0.063     0.287  100.000  100.000
LGA    E    47_A      E    47_A     0.550     0    0.072   0.191     3.007   97.619   80.582
LGA    A    48_A      A    48_A     0.290     0    0.019   0.026     0.363  100.000  100.000
LGA    I    49_A      I    49_A     0.265     0    0.025   0.035     0.323  100.000  100.000
LGA    T    50_A      T    50_A     0.317     0    0.040   1.155     2.503  100.000   88.639
LGA    T    51_A      T    51_A     0.439     0    0.011   0.036     0.673  100.000   95.918
LGA    Q    52_A      Q    52_A     0.390     0    0.021   0.774     2.306  100.000   90.847
LGA    V    53_A      V    53_A     0.120     0    0.037   0.052     0.215  100.000  100.000
LGA    T    54_A      T    54_A     0.184     0    0.048   0.084     0.378  100.000  100.000
LGA    N    55_A      N    55_A     0.160     0    0.024   0.156     0.595  100.000   98.810
LGA    G    56_A      G    56_A     0.185     0    0.042   0.042     0.383  100.000  100.000
LGA    K    57_A      K    57_A     0.695     0    0.042   0.156     2.074   92.857   84.709
LGA    G    58_A      G    58_A     1.278     0    0.066   0.066     1.278   81.429   81.429
LGA    A    59_A      A    59_A     0.781     0    0.045   0.060     0.912   90.476   90.476
LGA    M    60_A      M    60_A     0.439     0    0.027   0.191     0.537   97.619   98.810
LGA    P    61_A      P    61_A     0.492     0    0.032   0.154     0.784   95.238   93.197
LGA    A    62_A      A    62_A     0.495     0    0.072   0.084     0.804   97.619   98.095
LGA    F    63_A      F    63_A     0.115     0    0.075   0.111     0.498  100.000  100.000
LGA    G    64_A      G    64_A     0.193     0    0.033   0.033     0.481  100.000  100.000
LGA    S    65_A      S    65_A     0.612     0    0.102   0.698     2.806   90.595   85.000
LGA    K    66_A      K    66_A     0.330     0    0.059   0.743     2.680  100.000   90.476
LGA    L    67_A      L    67_A     0.362     0    0.007   0.062     0.473  100.000  100.000
LGA    S    68_A      S    68_A     0.386     0    0.014   0.083     0.460  100.000  100.000
LGA    A    69_A      A    69_A     0.291     0    0.022   0.021     0.359  100.000  100.000
LGA    D    70_A      D    70_A     0.317     0    0.081   0.281     1.452  100.000   96.488
LGA    D    71_A      D    71_A     0.270     0    0.022   0.184     0.815  100.000   97.619
LGA    I    72_A      I    72_A     0.314     0    0.022   0.075     0.456  100.000  100.000
LGA    A    73_A      A    73_A     0.209     0    0.011   0.017     0.249  100.000  100.000
LGA    D    74_A      D    74_A     0.174     0    0.035   0.053     0.330  100.000  100.000
LGA    V    75_A      V    75_A     0.246     0    0.016   0.031     0.417  100.000  100.000
LGA    A    76_A      A    76_A     0.394     0    0.016   0.024     0.499  100.000  100.000
LGA    S    77_A      S    77_A     0.389     0    0.018   0.051     0.676  100.000   98.413
LGA    Y    78_A      Y    78_A     0.268     0    0.027   0.040     0.337  100.000  100.000
LGA    V    79_A      V    79_A     0.296     0    0.021   0.045     0.416  100.000  100.000
LGA    L    80_A      L    80_A     0.228     0    0.054   0.119     0.637  100.000   98.810
LGA    D    81_A      D    81_A     0.183     0    0.019   0.158     0.947  100.000   96.429
LGA    Q    82_A      Q    82_A     0.344     0    0.016   0.190     0.719  100.000   98.942
LGA    S    83_A      S    83_A     0.075     0    0.021   0.531     2.048  100.000   94.127
LGA    E    84_A      E    84_A     0.537     0    0.013   0.894     4.664   92.857   76.772
LGA    K    85_A      K    85_A     1.006     0    0.148   0.191     1.701   81.548   86.508
LGA    G    86_A      G    86_A     0.985     0    0.461   0.461     3.118   78.095   78.095
LGA    W    87_A      W    87_A     0.438     0    0.547   0.403     1.861   88.452   96.701
LGA    Q    88_A      Q    88_A     3.152     0    0.179   0.674     7.071   41.905   32.963
LGA    G    89_A      G    89_A     5.984     0    0.684   0.684     7.146   18.214   18.214

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       89     356    356  100.00     636    636  100.00                89
SUMMARY(RMSD_GDC):     1.027          1.063                  1.186           95.420   93.370

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   89   89    4.0     88    0.82    97.191    98.236     9.542

LGA_LOCAL      RMSD:   0.822  Number of atoms:   88  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.035  Number of assigned atoms:   89 
Std_ASGN_ATOMS RMSD:   1.027  Standard rmsd on all 89 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.261143 * X  +  -0.958500 * Y  +   0.114377 * Z  +  -1.455533
  Y_new =   0.961376 * X  +  -0.268923 * Y  +  -0.058631 * Z  + -15.313301
  Z_new =   0.086956 * X  +   0.094648 * Y  +   0.991706 * Z  +   1.927596 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.836031 -0.087066  0.095152   [DEG:  105.1968   -4.9885    5.4518 ]
ZXZ:  1.097114  0.128885  0.743066   [DEG:   62.8600    7.3846   42.5745 ]
 
# END of job
