
#######################################################
#                                                     #
#                        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        0.72     0.72
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    86       5_B - 90_B        0.72     0.72
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    86       5_B - 90_B        0.72     0.72
  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   33   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      5   25   81   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     46   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     33   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     33   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     63   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     63   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     63   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     63   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     22   74   80   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     63   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     63   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     63   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     63   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     63   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     63   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     63   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     63   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     63   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     63   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     63   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     63   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     63   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     63   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     63   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     63   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     29   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     34   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     63   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     63   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     63   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     63   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     63   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     63   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     62   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     63   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     63   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     63   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     63   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     63   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     63   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     63   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     63   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     63   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     63   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     63   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     63   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     63   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     63   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     63   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     63   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     63   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     63   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     58   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     63   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     63   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     63   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     63   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     63   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     63   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     63   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     63   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     59   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     63   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     33   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     63   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   59   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   72   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   74   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      7   20   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      7   25   79   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     38   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     55   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     33   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     59   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     63   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     63   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     63   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     63   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     63   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     63   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     63   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     63   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     63   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      3    3   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     63     77     81     86     86     86     86     86     86     86     86     86     86     86     86     86     86     86     86     86 
GDT PERCENT_AT  73.26  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    0.28   0.41   0.57   0.72   0.72   0.72   0.72   0.72   0.72   0.72   0.72   0.72   0.72   0.72   0.72   0.72   0.72   0.72   0.72   0.72
GDT RMS_ALL_AT   0.76   0.76   0.73   0.72   0.72   0.72   0.72   0.72   0.72   0.72   0.72   0.72   0.72   0.72   0.72   0.72   0.72   0.72   0.72   0.72

# 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:  E    65_B      E    65_B
#   possible swapping detected:  D    68_B      D    68_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     1.920     0    0.593   0.665    11.717   72.024   40.794
LGA    P     6_B      P     6_B     1.870     0    0.010   0.326     3.503   75.000   65.374
LGA    N     7_B      N     7_B     0.671     0    0.030   0.139     1.507   92.976   89.524
LGA    E     8_B      E     8_B     0.763     0    0.068   0.992     5.223   88.333   63.651
LGA    I     9_B      I     9_B     0.979     0    0.137   0.121     1.356   88.214   88.214
LGA    V    10_B      V    10_B     0.584     0    0.040   0.082     0.945   90.476   90.476
LGA    I    11_B      I    11_B     0.339     0    0.050   0.118     0.747   97.619   98.810
LGA    T    12_B      T    12_B     0.701     0    0.103   0.144     1.217   92.857   87.959
LGA    K    13_B      K    13_B     0.402     0    0.126   0.878     4.315   92.976   80.053
LGA    S    14_B      S    14_B     1.402     0    0.106   0.114     1.839   79.286   77.143
LGA    K    15_B      K    15_B     0.181     0    0.125   0.681     1.510   95.238   86.667
LGA    R    16_B      R    16_B     0.119     0    0.026   0.152     1.526  100.000   92.424
LGA    I    17_B      I    17_B     0.347     0    0.021   0.096     0.424  100.000  100.000
LGA    E    18_B      E    18_B     0.396     0    0.038   0.150     0.497  100.000  100.000
LGA    D    19_B      D    19_B     0.503     0    0.035   0.099     0.831   97.619   94.048
LGA    Y    20_B      Y    20_B     0.300     0    0.024   0.131     0.455  100.000  100.000
LGA    V    21_B      V    21_B     0.212     0    0.010   0.038     0.314  100.000  100.000
LGA    L    22_B      L    22_B     0.283     0    0.051   1.357     3.064  100.000   85.000
LGA    D    23_B      D    23_B     0.264     0    0.017   0.200     0.545  100.000   98.810
LGA    T    24_B      T    24_B     0.186     0    0.011   0.046     0.409  100.000  100.000
LGA    I    25_B      I    25_B     0.091     0    0.031   0.140     0.638  100.000   98.810
LGA    I    26_B      I    26_B     0.118     0    0.031   0.042     0.448  100.000  100.000
LGA    L    27_B      L    27_B     0.203     0    0.029   0.102     0.395  100.000  100.000
LGA    F    28_B      F    28_B     0.272     0    0.035   0.107     0.621   97.619   97.403
LGA    N    29_B      N    29_B     0.422     0    0.032   1.405     4.567   97.619   77.798
LGA    Q    30_B      Q    30_B     0.392     0    0.047   0.086     0.524   95.238   97.884
LGA    G    31_B      G    31_B     0.927     0    0.015   0.015     0.927   90.476   90.476
LGA    Y    32_B      Y    32_B     0.644     0    0.130   0.141     1.196   88.214   92.897
LGA    E    33_B      E    33_B     0.711     0    0.015   0.739     2.853   90.476   80.053
LGA    E    34_B      E    34_B     0.140     0    0.021   0.208     1.521  100.000   91.799
LGA    V    35_B      V    35_B     0.232     0    0.044   0.044     0.333  100.000  100.000
LGA    E    36_B      E    36_B     0.248     0    0.049   0.121     0.633  100.000   97.884
LGA    I    37_B      I    37_B     0.568     0    0.011   0.061     0.673   92.857   91.667
LGA    R    38_B      R    38_B     0.595     0    0.089   0.220     1.539   92.857   87.273
LGA    G    39_B      G    39_B     0.524     0    0.037   0.037     0.600   95.238   95.238
LGA    S    40_B      S    40_B     0.733     0    0.094   0.646     1.922   90.476   86.032
LGA    G    41_B      G    41_B     0.329     0    0.041   0.041     0.524   97.619   97.619
LGA    Q    42_B      Q    42_B     0.190     0    0.020   0.822     2.348  100.000   94.021
LGA    E    43_B      E    43_B     0.325     0    0.025   0.840     2.907  100.000   86.402
LGA    I    44_B      I    44_B     0.204     0    0.036   0.085     0.354  100.000  100.000
LGA    N    45_B      N    45_B     0.224     0    0.018   0.898     3.441  100.000   84.940
LGA    K    46_B      K    46_B     0.271     0    0.014   0.053     0.342  100.000  100.000
LGA    A    47_B      A    47_B     0.118     0    0.014   0.015     0.183  100.000  100.000
LGA    I    48_B      I    48_B     0.062     0    0.043   0.062     0.417  100.000  100.000
LGA    E    49_B      E    49_B     0.238     0    0.039   0.365     1.003  100.000   95.820
LGA    V    50_B      V    50_B     0.168     0    0.017   0.043     0.330  100.000  100.000
LGA    Y    51_B      Y    51_B     0.096     0    0.024   0.078     0.611  100.000   96.825
LGA    N    52_B      N    52_B     0.369     0    0.060   0.106     0.627  100.000   96.429
LGA    Q    53_B      Q    53_B     0.257     0    0.021   0.082     0.316  100.000  100.000
LGA    L    54_B      L    54_B     0.113     0    0.019   0.027     0.166  100.000  100.000
LGA    V    55_B      V    55_B     0.230     0    0.026   0.062     0.416  100.000  100.000
LGA    D    56_B      D    56_B     0.201     0    0.021   0.706     3.049  100.000   85.952
LGA    R    57_B      R    57_B     0.299     0    0.013   1.533     9.450   97.619   57.100
LGA    L    58_B      L    58_B     0.353     0    0.022   0.048     0.519  100.000   98.810
LGA    K    59_B      K    59_B     0.523     0    0.008   0.991     4.825   95.238   79.788
LGA    E    60_B      E    60_B     0.309     0    0.060   0.869     3.623  100.000   83.968
LGA    G    61_B      G    61_B     0.322     0    0.062   0.062     0.356  100.000  100.000
LGA    V    62_B      V    62_B     0.155     0    0.058   0.062     0.289  100.000  100.000
LGA    R    63_B      R    63_B     0.128     0    0.027   0.129     1.007  100.000   95.714
LGA    L    64_B      L    64_B     0.194     0    0.013   0.042     0.340  100.000  100.000
LGA    E    65_B      E    65_B     0.309     0    0.020   0.110     0.407  100.000  100.000
LGA    K    66_B      K    66_B     0.262     0    0.042   0.758     3.991  100.000   85.873
LGA    V    67_B      V    67_B     0.443     0    0.041   0.047     0.686   95.238   95.918
LGA    D    68_B      D    68_B     0.882     0    0.075   0.179     1.276   90.476   89.345
LGA    I    69_B      I    69_B     0.537     0    0.096   1.056     2.419   92.857   82.024
LGA    G    70_B      G    70_B     1.129     0    0.042   0.042     1.129   85.952   85.952
LGA    S    71_B      S    71_B     0.516     0    0.074   0.662     3.037   88.214   82.222
LGA    E    72_B      E    72_B     1.129     0    0.088   0.722     3.649   85.952   68.571
LGA    V    73_B      V    73_B     1.987     0    0.075   0.084     3.052   65.119   62.789
LGA    K    74_B      K    74_B     2.004     0    0.063   0.930     4.493   72.976   60.476
LGA    D    75_B      D    75_B     1.817     0    0.053   0.086     2.221   75.000   72.917
LGA    R    76_B      R    76_B     1.806     0    0.061   1.053     3.048   75.000   69.351
LGA    R    77_B      R    77_B     0.707     0    0.024   0.778     3.408   88.214   82.164
LGA    R    78_B      R    78_B     0.672     0    0.038   0.829     5.881   90.476   63.853
LGA    I    79_B      I    79_B     1.141     0    0.157   1.098     2.841   83.690   74.286
LGA    S    80_B      S    80_B     0.872     0    0.020   0.066     1.458   92.857   90.556
LGA    Y    81_B      Y    81_B     0.570     0    0.018   0.088     1.323   92.857   88.254
LGA    I    82_B      I    82_B     0.372     0    0.027   0.066     0.530   97.619   98.810
LGA    L    83_B      L    83_B     0.431     0    0.044   0.064     0.655  100.000   96.429
LGA    L    84_B      L    84_B     0.313     0    0.081   0.115     0.752   97.619   98.810
LGA    R    85_B      R    85_B     0.097     0    0.056   1.281     5.297  100.000   78.355
LGA    L    86_B      L    86_B     0.132     0    0.009   0.080     0.245  100.000  100.000
LGA    K    87_B      K    87_B     0.367     0    0.022   0.303     1.673  100.000   93.862
LGA    R    88_B      R    88_B     0.553     0    0.022   1.169     6.354   90.476   64.459
LGA    I    89_B      I    89_B     0.452     0    0.648   0.782     2.664   86.905   86.905
LGA    Y    90_B      Y    90_B     1.562     0    0.083   1.514     5.611   57.619   45.000

# 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):     0.717          0.802                  1.654           94.061   88.311

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   90   86    4.0     86    0.72    97.384    98.740    10.521

LGA_LOCAL      RMSD:   0.717  Number of atoms:   86  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.717  Number of assigned atoms:   86 
Std_ASGN_ATOMS RMSD:   0.717  Standard rmsd on all 86 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.234459 * X  +   0.259330 * Y  +   0.936897 * Z  +   8.583954
  Y_new =   0.340602 * X  +  -0.880756 * Y  +   0.329027 * Z  +   9.512891
  Z_new =   0.910505 * X  +   0.396253 * Y  +   0.118173 * Z  +  -4.710517 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.173671 -1.144503  1.280968   [DEG:  124.5422  -65.5752   73.3941 ]
ZXZ:  1.908529  1.452347  1.160317   [DEG:  109.3506   83.2133   66.4813 ]
 
# END of job
