
#######################################################
#                                                     #
#                        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        0.71     0.71
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    86       5_B - 90_B        0.71     0.71
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    86       5_B - 90_B        0.71     0.71
  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   49   76   86   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   47   79   86   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     22   77   81   86   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     21   77   81   86   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     34   77   81   86   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     59   77   81   86   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     59   77   81   86   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     59   77   81   86   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     59   77   81   86   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     35   75   81   86   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     59   77   81   86   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     59   77   81   86   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     59   77   81   86   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     59   77   81   86   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     59   77   81   86   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     59   77   81   86   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     59   77   81   86   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     59   77   81   86   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     59   77   81   86   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     59   77   81   86   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     59   77   81   86   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     59   77   81   86   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     59   77   81   86   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     59   77   81   86   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     59   77   81   86   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     59   77   81   86   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     27   77   81   86   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     59   77   81   86   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     51   77   81   86   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     59   77   81   86   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     59   77   81   86   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     59   77   81   86   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     59   77   81   86   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     59   77   81   86   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     59   77   81   86   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     59   77   81   86   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     59   77   81   86   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     59   77   81   86   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     59   77   81   86   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     59   77   81   86   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     59   77   81   86   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     59   77   81   86   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     59   77   81   86   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     59   77   81   86   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     59   77   81   86   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     59   77   81   86   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     59   77   81   86   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     59   77   81   86   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     59   77   81   86   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     59   77   81   86   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     59   77   81   86   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     59   77   81   86   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     54   77   81   86   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     54   77   81   86   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     54   77   81   86   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     54   77   81   86   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     55   77   81   86   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     59   77   81   86   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     59   77   81   86   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     59   77   81   86   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     59   77   81   86   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     59   77   81   86   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     59   77   81   86   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     48   77   81   86   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     59   77   81   86   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     48   77   81   86   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     59   77   81   86   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   41   81   86   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   13   63   86   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      8   13   63   86   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      8   21   81   86   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      8   22   76   86   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     12   77   81   86   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     53   77   81   86   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     34   77   81   86   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     34   77   81   86   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     59   77   81   86   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     59   77   81   86   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     59   77   81   86   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     59   77   81   86   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     59   77   81   86   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     59   77   81   86   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     59   77   81   86   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   77   81   86   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     59   77   81   86   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      4   77   81   86   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     59     77     81     86     86     86     86     86     86     86     86     86     86     86     86     86     86     86     86     86 
GDT PERCENT_AT  68.60  89.53  94.19 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.27   0.44   0.53   0.71   0.71   0.71   0.71   0.71   0.71   0.71   0.71   0.71   0.71   0.71   0.71   0.71   0.71   0.71   0.71   0.71
GDT RMS_ALL_AT   0.76   0.75   0.73   0.71   0.71   0.71   0.71   0.71   0.71   0.71   0.71   0.71   0.71   0.71   0.71   0.71   0.71   0.71   0.71   0.71

# Checking swapping
#   possible swapping detected:  E    18_B      E    18_B
#   possible swapping detected:  E    36_B      E    36_B
#   possible swapping detected:  E    49_B      E    49_B
#   possible swapping detected:  Y    51_B      Y    51_B
#   possible swapping detected:  D    56_B      D    56_B
#   possible swapping detected:  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     1.887     0    0.603   0.665    11.677   72.024   40.794
LGA    P     6_B      P     6_B     1.889     0    0.013   0.320     3.587   75.000   65.374
LGA    N     7_B      N     7_B     0.722     0    0.033   0.110     1.538   92.976   88.393
LGA    E     8_B      E     8_B     0.821     0    0.092   0.982     5.226   86.190   62.698
LGA    I     9_B      I     9_B     1.056     0    0.146   0.134     1.483   83.690   84.821
LGA    V    10_B      V    10_B     0.603     0    0.039   0.082     0.980   90.476   90.476
LGA    I    11_B      I    11_B     0.326     0    0.052   0.122     0.711   97.619   98.810
LGA    T    12_B      T    12_B     0.709     0    0.108   0.152     1.218   92.857   87.959
LGA    K    13_B      K    13_B     0.415     0    0.116   0.875     4.327   92.976   80.053
LGA    S    14_B      S    14_B     1.314     0    0.119   0.125     1.795   79.286   77.143
LGA    K    15_B      K    15_B     0.121     0    0.130   0.689     1.614   97.619   87.725
LGA    R    16_B      R    16_B     0.122     0    0.037   0.138     1.297  100.000   93.203
LGA    I    17_B      I    17_B     0.400     0    0.025   0.113     0.540  100.000   97.619
LGA    E    18_B      E    18_B     0.446     0    0.039   0.206     0.654  100.000   97.884
LGA    D    19_B      D    19_B     0.498     0    0.031   0.147     0.964  100.000   95.238
LGA    Y    20_B      Y    20_B     0.316     0    0.022   0.129     0.479  100.000  100.000
LGA    V    21_B      V    21_B     0.246     0    0.021   0.077     0.484  100.000  100.000
LGA    L    22_B      L    22_B     0.257     0    0.051   1.358     3.001  100.000   85.000
LGA    D    23_B      D    23_B     0.222     0    0.014   0.197     0.523  100.000   98.810
LGA    T    24_B      T    24_B     0.266     0    0.010   0.054     0.502  100.000   98.639
LGA    I    25_B      I    25_B     0.149     0    0.028   0.134     0.754  100.000   97.619
LGA    I    26_B      I    26_B     0.201     0    0.031   0.044     0.613  100.000   98.810
LGA    L    27_B      L    27_B     0.218     0    0.031   0.125     0.534  100.000   98.810
LGA    F    28_B      F    28_B     0.335     0    0.027   0.140     0.625   97.619   97.403
LGA    N    29_B      N    29_B     0.437     0    0.034   1.396     4.346   97.619   78.512
LGA    Q    30_B      Q    30_B     0.340     0    0.048   0.086     0.534   95.238   97.884
LGA    G    31_B      G    31_B     0.964     0    0.015   0.015     0.964   90.476   90.476
LGA    Y    32_B      Y    32_B     0.629     0    0.118   0.122     1.073   88.214   92.897
LGA    E    33_B      E    33_B     0.606     0    0.037   0.711     2.535   90.476   80.053
LGA    E    34_B      E    34_B     0.146     0    0.025   0.101     1.039  100.000   94.762
LGA    V    35_B      V    35_B     0.265     0    0.051   0.052     0.362  100.000  100.000
LGA    E    36_B      E    36_B     0.239     0    0.068   0.115     0.595  100.000   98.942
LGA    I    37_B      I    37_B     0.575     0    0.014   0.068     0.758   95.238   92.857
LGA    R    38_B      R    38_B     0.551     0    0.088   0.246     1.919   92.857   87.273
LGA    G    39_B      G    39_B     0.483     0    0.040   0.040     0.538   97.619   97.619
LGA    S    40_B      S    40_B     0.688     0    0.091   0.648     1.863   92.857   87.619
LGA    G    41_B      G    41_B     0.283     0    0.035   0.035     0.477  100.000  100.000
LGA    Q    42_B      Q    42_B     0.160     0    0.031   0.816     2.153  100.000   92.011
LGA    E    43_B      E    43_B     0.326     0    0.034   0.853     3.024  100.000   85.608
LGA    I    44_B      I    44_B     0.192     0    0.029   0.066     0.350  100.000  100.000
LGA    N    45_B      N    45_B     0.178     0    0.029   0.921     3.458  100.000   83.988
LGA    K    46_B      K    46_B     0.269     0    0.017   0.062     0.362  100.000  100.000
LGA    A    47_B      A    47_B     0.084     0    0.018   0.019     0.178  100.000  100.000
LGA    I    48_B      I    48_B     0.109     0    0.044   0.062     0.475  100.000  100.000
LGA    E    49_B      E    49_B     0.235     0    0.047   0.467     1.197  100.000   94.815
LGA    V    50_B      V    50_B     0.182     0    0.025   0.051     0.325  100.000  100.000
LGA    Y    51_B      Y    51_B     0.034     0    0.032   0.067     0.518  100.000   99.206
LGA    N    52_B      N    52_B     0.350     0    0.076   0.107     0.548  100.000   98.810
LGA    Q    53_B      Q    53_B     0.314     0    0.036   1.035     2.652  100.000   88.042
LGA    L    54_B      L    54_B     0.198     0    0.012   1.279     2.795  100.000   85.893
LGA    V    55_B      V    55_B     0.184     0    0.034   0.050     0.458  100.000  100.000
LGA    D    56_B      D    56_B     0.246     0    0.018   0.780     2.950  100.000   86.845
LGA    R    57_B      R    57_B     0.507     0    0.014   1.635     9.583   92.857   54.026
LGA    L    58_B      L    58_B     0.484     0    0.017   0.053     0.599   95.238   96.429
LGA    K    59_B      K    59_B     0.566     0    0.023   1.114     4.504   95.238   76.402
LGA    E    60_B      E    60_B     0.463     0    0.084   0.821     2.961   95.238   85.132
LGA    G    61_B      G    61_B     0.441     0    0.058   0.058     0.458  100.000  100.000
LGA    V    62_B      V    62_B     0.229     0    0.044   0.051     0.416  100.000  100.000
LGA    R    63_B      R    63_B     0.182     0    0.023   0.234     1.608  100.000   92.424
LGA    L    64_B      L    64_B     0.125     0    0.022   0.055     0.320  100.000  100.000
LGA    E    65_B      E    65_B     0.185     0    0.045   1.100     4.429  100.000   79.577
LGA    K    66_B      K    66_B     0.327     0    0.039   0.751     4.103  100.000   84.339
LGA    V    67_B      V    67_B     0.486     0    0.042   0.046     0.718   95.238   93.197
LGA    D    68_B      D    68_B     0.898     0    0.075   0.240     1.485   90.476   89.345
LGA    I    69_B      I    69_B     0.625     0    0.051   0.053     0.815   90.476   90.476
LGA    G    70_B      G    70_B     1.018     0    0.035   0.035     1.018   88.214   88.214
LGA    S    71_B      S    71_B     0.572     0    0.076   0.643     3.049   88.214   82.222
LGA    E    72_B      E    72_B     1.134     0    0.095   0.559     3.066   85.952   79.048
LGA    V    73_B      V    73_B     1.990     0    0.084   0.090     3.100   65.119   62.789
LGA    K    74_B      K    74_B     2.021     0    0.064   0.905     4.389   72.976   61.217
LGA    D    75_B      D    75_B     1.735     0    0.052   0.083     2.150   75.000   72.917
LGA    R    76_B      R    76_B     1.736     0    0.059   1.074     2.962   77.143   71.558
LGA    R    77_B      R    77_B     0.640     0    0.017   0.754     3.435   90.476   83.723
LGA    R    78_B      R    78_B     0.605     0    0.043   0.477     4.904   90.476   66.277
LGA    I    79_B      I    79_B     1.266     0    0.164   1.107     2.988   83.690   74.286
LGA    S    80_B      S    80_B     0.871     0    0.016   0.051     1.383   92.857   90.556
LGA    Y    81_B      Y    81_B     0.590     0    0.020   0.110     1.345   90.476   87.460
LGA    I    82_B      I    82_B     0.349     0    0.021   0.055     0.457  100.000  100.000
LGA    L    83_B      L    83_B     0.410     0    0.048   0.071     0.643  100.000   96.429
LGA    L    84_B      L    84_B     0.316     0    0.090   0.114     0.821   97.619   98.810
LGA    R    85_B      R    85_B     0.093     0    0.047   1.323     5.414  100.000   78.701
LGA    L    86_B      L    86_B     0.152     0    0.026   0.066     0.297  100.000  100.000
LGA    K    87_B      K    87_B     0.477     0    0.014   0.501     2.891   95.238   86.984
LGA    R    88_B      R    88_B     0.686     0    0.020   1.176     6.163   90.476   68.052
LGA    I    89_B      I    89_B     0.606     0    0.655   0.799     3.316   78.095   81.310
LGA    Y    90_B      Y    90_B     0.923     0    0.115   1.524     8.584   59.167   37.460

# 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):     0.709          0.827                  1.728           93.894   87.753

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   90   86    4.0     86    0.71    97.384    98.740    10.627

LGA_LOCAL      RMSD:   0.709  Number of atoms:   86  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.709  Number of assigned atoms:   86 
Std_ASGN_ATOMS RMSD:   0.709  Standard rmsd on all 86 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.256953 * X  +   0.893636 * Y  +   0.367954 * Z  +   9.358543
  Y_new =   0.274295 * X  +  -0.297643 * Y  +   0.914424 * Z  +  11.004362
  Z_new =   0.926681 * X  +   0.335892 * Y  +  -0.168640 * Z  +  -2.763942 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.323562 -1.185483  2.036094   [DEG:  133.1303  -67.9232  116.6596 ]
ZXZ:  2.759029  1.740246  1.223058   [DEG:  158.0807   99.7087   70.0760 ]
 
# END of job
