
#######################################################
#                                                     #
#                        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  102 (  824),  selected   83 , name one
# Molecule2: number of CA atoms   83 (  673),  selected   83 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    83       6_A - 88_A        1.64     1.64
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    83       6_A - 88_A        1.64     1.64
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    78       9_A - 86_A        0.97     1.77
  LCS_AVERAGE:     89.66

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   83
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     R     6_B     R     6_A      5   83   83      0    4    5    6    8   25   32   66   79   80   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     K     7_B     K     7_A      5   83   83      4    5   11   24   65   78   78   81   81   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     P     8_B     P     8_A     77   83   83      4    5   11   25   52   78   78   81   81   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     K     9_B     K     9_A     78   83   83      4    5    8   75   76   78   78   81   81   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     A    10_B     A    10_A     78   83   83      4   61   74   75   76   78   78   81   81   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     K    11_B     K    11_A     78   83   83      4   65   74   75   76   78   78   81   81   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     R    12_B     R    12_A     78   83   83     58   70   74   75   76   78   78   81   81   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     T    13_B     T    13_A     78   83   83     58   70   74   75   76   78   78   81   81   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     W    14_B     W    14_A     78   83   83     58   70   74   75   76   78   78   81   81   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     S    15_B     S    15_A     78   83   83     58   70   74   75   76   78   78   81   81   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     K    16_B     K    16_A     78   83   83     58   70   74   75   76   78   78   81   81   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     E    17_B     E    17_A     78   83   83     57   70   74   75   76   78   78   81   81   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     E    18_B     E    18_A     78   83   83     58   70   74   75   76   78   78   81   81   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     E    19_B     E    19_A     78   83   83     58   70   74   75   76   78   78   81   81   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     E    20_B     E    20_A     78   83   83     58   70   74   75   76   78   78   81   81   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     A    21_B     A    21_A     78   83   83     58   70   74   75   76   78   78   81   81   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     L    22_B     L    22_A     78   83   83     58   70   74   75   76   78   78   81   81   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     V    23_B     V    23_A     78   83   83     58   70   74   75   76   78   78   81   81   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     E    24_B     E    24_A     78   83   83     58   70   74   75   76   78   78   81   81   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     G    25_B     G    25_A     78   83   83     58   70   74   75   76   78   78   81   81   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     L    26_B     L    26_A     78   83   83     58   70   74   75   76   78   78   81   81   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     K    27_B     K    27_A     78   83   83     58   70   74   75   76   78   78   81   81   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     E    28_B     E    28_A     78   83   83     58   70   74   75   76   78   78   81   81   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     V    29_B     V    29_A     78   83   83     54   70   74   75   76   78   78   81   81   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     G    30_B     G    30_A     78   83   83     53   70   74   75   76   78   78   81   81   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     P    31_B     P    31_A     78   83   83     58   70   74   75   76   78   78   81   81   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     S    32_B     S    32_A     78   83   83     58   70   74   75   76   78   78   81   81   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     W    33_B     W    33_A     78   83   83     58   70   74   75   76   78   78   81   81   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     S    34_B     S    34_A     78   83   83     58   70   74   75   76   78   78   81   81   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     K    35_B     K    35_A     78   83   83     58   70   74   75   76   78   78   81   81   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     I    36_B     I    36_A     78   83   83     58   70   74   75   76   78   78   81   81   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     L    37_B     L    37_A     78   83   83     58   70   74   75   76   78   78   81   81   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     D    38_B     D    38_A     78   83   83     58   70   74   75   76   78   78   81   81   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     L    39_B     L    39_A     78   83   83     58   70   74   75   76   78   78   81   81   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     Y    40_B     Y    40_A     78   83   83     58   70   74   75   76   78   78   81   81   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     G    41_B     G    41_A     78   83   83     58   70   74   75   76   78   78   81   81   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     P    42_B     P    42_A     78   83   83     58   70   74   75   76   78   78   81   81   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     G    43_B     G    43_A     78   83   83     58   70   74   75   76   78   78   81   81   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     G    44_B     G    44_A     78   83   83     58   70   74   75   76   78   78   81   81   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     K    45_B     K    45_A     78   83   83     39   70   74   75   76   78   78   81   81   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     I    46_B     I    46_A     78   83   83     40   70   74   75   76   78   78   81   81   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     T    47_B     T    47_A     78   83   83     51   70   74   75   76   78   78   81   81   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     E    48_B     E    48_A     78   83   83     58   70   74   75   76   78   78   81   81   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     N    49_B     N    49_A     78   83   83     52   70   74   75   76   78   78   81   81   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     L    50_B     L    50_A     78   83   83     58   70   74   75   76   78   78   81   81   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     K    51_B     K    51_A     78   83   83     58   70   74   75   76   78   78   81   81   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     N    52_B     N    52_A     78   83   83     58   70   74   75   76   78   78   81   81   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     R    53_B     R    53_A     78   83   83     58   70   74   75   76   78   78   81   81   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     T    54_B     T    54_A     78   83   83     58   70   74   75   76   78   78   81   81   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     Q    55_B     Q    55_A     78   83   83     58   70   74   75   76   78   78   81   81   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     V    56_B     V    56_A     78   83   83     58   70   74   75   76   78   78   81   81   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     Q    57_B     Q    57_A     78   83   83     58   70   74   75   76   78   78   81   81   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     L    58_B     L    58_A     78   83   83     58   70   74   75   76   78   78   81   81   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     K    59_B     K    59_A     78   83   83     58   70   74   75   76   78   78   81   81   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     D    60_B     D    60_A     78   83   83     58   70   74   75   76   78   78   81   81   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     K    61_B     K    61_A     78   83   83     58   70   74   75   76   78   78   81   81   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     A    62_B     A    62_A     78   83   83     58   70   74   75   76   78   78   81   81   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     R    63_B     R    63_A     78   83   83     58   70   74   75   76   78   78   81   81   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     N    64_B     N    64_A     78   83   83     57   70   74   75   76   78   78   81   81   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     W    65_B     W    65_A     78   83   83     58   70   74   75   76   78   78   81   81   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     K    66_B     K    66_A     78   83   83     58   70   74   75   76   78   78   81   81   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     L    67_B     L    67_A     78   83   83     58   70   74   75   76   78   78   81   81   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     Q    68_B     Q    68_A     78   83   83     58   70   74   75   76   78   78   81   81   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     Y    69_B     Y    69_A     78   83   83     58   70   74   75   76   78   78   81   81   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     L    70_B     L    70_A     78   83   83     58   70   74   75   76   78   78   81   81   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     K    71_B     K    71_A     78   83   83     11   70   74   75   76   78   78   81   81   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     S    72_B     S    72_A     78   83   83     21   70   74   75   76   78   78   81   81   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     G    73_B     G    73_A     78   83   83     21   70   74   75   76   78   78   81   81   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     K    74_B     K    74_A     78   83   83     14   70   74   75   76   78   78   81   81   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     P    75_B     P    75_A     78   83   83     58   70   74   75   76   78   78   81   81   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     L    76_B     L    76_A     78   83   83     58   70   74   75   76   78   78   81   81   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     P    77_B     P    77_A     78   83   83     58   70   74   75   76   78   78   81   81   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     D    78_B     D    78_A     78   83   83     58   70   74   75   76   78   78   81   81   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     Y    79_B     Y    79_A     78   83   83     58   70   74   75   76   78   78   81   81   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     L    80_B     L    80_A     78   83   83     58   70   74   75   76   78   78   81   81   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     I    81_B     I    81_A     78   83   83     58   70   74   75   76   78   78   81   81   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     K    82_B     K    82_A     78   83   83     11   67   74   75   76   78   78   81   81   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     V    83_B     V    83_A     78   83   83     39   69   74   75   76   78   78   81   81   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     T    84_B     T    84_A     78   83   83      4   14   37   71   76   78   78   81   81   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     G    85_B     G    85_A     78   83   83      4   11   29   51   64   72   78   81   81   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     N    86_B     N    86_A     78   83   83      4   15   40   56   64   77   78   81   81   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     L    87_B     L    87_A      3   83   83      3    3    3    8   25   67   76   81   81   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     E    88_B     E    88_A      3   83   83      3    4    8   10   14   23   49   79   81   82   83   83   83   83   83   83   83   83   83   83 
LCS_AVERAGE  LCS_A:  96.55  (  89.66  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     58     70     74     75     76     78     78     81     81     82     83     83     83     83     83     83     83     83     83     83 
GDT PERCENT_AT  69.88  84.34  89.16  90.36  91.57  93.98  93.98  97.59  97.59  98.80 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.32   0.43   0.53   0.60   0.71   1.05   0.97   1.30   1.30   1.44   1.64   1.64   1.64   1.64   1.64   1.64   1.64   1.64   1.64   1.64
GDT RMS_ALL_AT   1.91   1.90   1.86   1.85   1.81   1.70   1.77   1.67   1.67   1.65   1.64   1.64   1.64   1.64   1.64   1.64   1.64   1.64   1.64   1.64

# Checking swapping
#   possible swapping detected:  E    17_B      E    17_A
#   possible swapping detected:  E    18_B      E    18_A
#   possible swapping detected:  E    19_B      E    19_A
#   possible swapping detected:  E    20_B      E    20_A
#   possible swapping detected:  E    28_B      E    28_A
#   possible swapping detected:  D    38_B      D    38_A
#   possible swapping detected:  E    48_B      E    48_A
#   possible swapping detected:  D    60_B      D    60_A
#   possible swapping detected:  Y    69_B      Y    69_A
#   possible swapping detected:  D    78_B      D    78_A
#   possible swapping detected:  Y    79_B      Y    79_A
#   possible swapping detected:  E    88_B      E    88_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    R     6_B      R     6_A     7.684     0    0.586   1.363    12.530    7.976    3.160
LGA    K     7_B      K     7_A     4.660     0    0.129   1.284     7.192   34.524   29.471
LGA    P     8_B      P     8_A     4.106     0    0.077   0.091     5.321   49.048   40.816
LGA    K     9_B      K     9_A     2.519     0    0.028   0.963     4.248   59.048   51.164
LGA    A    10_B      A    10_A     1.861     0    0.112   0.145     2.786   68.929   68.095
LGA    K    11_B      K    11_A     1.449     0    0.180   0.726     3.805   77.262   71.534
LGA    R    12_B      R    12_A     0.938     0    0.065   0.922     4.452   90.476   77.922
LGA    T    13_B      T    13_A     1.149     0    0.046   0.302     1.947   85.952   82.789
LGA    W    14_B      W    14_A     0.898     0    0.049   0.140     1.048   88.214   90.544
LGA    S    15_B      S    15_A     1.013     0    0.020   0.036     1.102   88.214   85.952
LGA    K    16_B      K    16_A     0.860     0    0.060   0.931     1.822   90.476   83.545
LGA    E    17_B      E    17_A     0.863     0    0.037   0.681     2.929   90.476   83.810
LGA    E    18_B      E    18_A     0.459     0    0.065   0.105     0.738   97.619   94.709
LGA    E    19_B      E    19_A     0.346     0    0.031   0.224     0.539  100.000   98.942
LGA    E    20_B      E    20_A     0.533     0    0.127   0.512     1.962   92.857   89.577
LGA    A    21_B      A    21_A     0.395     0    0.020   0.026     0.522   97.619   98.095
LGA    L    22_B      L    22_A     0.122     0    0.014   0.054     0.617  100.000   97.619
LGA    V    23_B      V    23_A     0.272     0    0.025   0.080     0.471  100.000  100.000
LGA    E    24_B      E    24_A     0.389     0    0.079   1.069     3.953   97.619   85.556
LGA    G    25_B      G    25_A     0.317     0    0.013   0.013     0.479  100.000  100.000
LGA    L    26_B      L    26_A     0.385     0    0.055   0.086     0.576   97.619   97.619
LGA    K    27_B      K    27_A     0.410     0    0.128   0.904     2.599   95.238   90.000
LGA    E    28_B      E    28_A     0.293     0    0.050   0.763     1.967  100.000   89.841
LGA    V    29_B      V    29_A     0.387     0    0.040   0.072     0.501  100.000   98.639
LGA    G    30_B      G    30_A     0.377     0    0.027   0.027     0.377  100.000  100.000
LGA    P    31_B      P    31_A     0.353     0    0.013   0.056     0.578   95.238   97.279
LGA    S    32_B      S    32_A     0.579     0    0.049   0.072     0.613   90.476   90.476
LGA    W    33_B      W    33_A     0.549     0    0.032   0.066     0.747   90.476   90.476
LGA    S    34_B      S    34_A     0.407     0    0.054   0.710     2.739  100.000   92.857
LGA    K    35_B      K    35_A     0.391     0    0.024   0.646     2.135  100.000   95.026
LGA    I    36_B      I    36_A     0.467     0    0.026   0.065     0.521   95.238   97.619
LGA    L    37_B      L    37_A     0.524     0    0.026   0.087     0.758   90.476   90.476
LGA    D    38_B      D    38_A     0.489     0    0.029   0.886     2.945  100.000   86.667
LGA    L    39_B      L    39_A     0.343     0    0.022   0.178     0.596  100.000   98.810
LGA    Y    40_B      Y    40_A     0.353     0    0.021   0.158     0.788  100.000   95.238
LGA    G    41_B      G    41_A     0.128     0    0.019   0.019     0.183  100.000  100.000
LGA    P    42_B      P    42_A     0.227     0    0.042   0.296     0.821  100.000   98.639
LGA    G    43_B      G    43_A     0.474     0    0.048   0.048     0.526   97.619   97.619
LGA    G    44_B      G    44_A     0.417     0    0.040   0.040     0.539   97.619   97.619
LGA    K    45_B      K    45_A     0.624     0    0.095   0.566     2.004   88.214   84.603
LGA    I    46_B      I    46_A     0.706     0    0.012   0.036     0.922   90.476   90.476
LGA    T    47_B      T    47_A     0.493     0    0.048   0.106     0.652   95.238   94.558
LGA    E    48_B      E    48_A     0.124     0    0.019   0.240     1.021  100.000   95.820
LGA    N    49_B      N    49_A     0.310     0    0.108   0.173     0.931   97.619   97.619
LGA    L    50_B      L    50_A     0.420     0    0.056   0.092     0.539   97.619   98.810
LGA    K    51_B      K    51_A     0.430     0    0.060   0.730     3.205  100.000   93.386
LGA    N    52_B      N    52_A     0.610     0    0.019   1.108     2.440   90.476   84.048
LGA    R    53_B      R    53_A     0.559     0    0.033   0.114     0.872   90.476   90.476
LGA    T    54_B      T    54_A     0.562     0    0.071   0.099     0.883   90.476   90.476
LGA    Q    55_B      Q    55_A     0.630     0    0.026   0.336     0.947   90.476   90.476
LGA    V    56_B      V    56_A     0.946     0    0.041   0.050     1.404   90.476   86.599
LGA    Q    57_B      Q    57_A     0.666     0    0.019   0.205     0.742   90.476   90.476
LGA    L    58_B      L    58_A     0.475     0    0.033   0.080     0.599   95.238   94.048
LGA    K    59_B      K    59_A     0.676     0    0.044   0.752     3.712   90.476   82.434
LGA    D    60_B      D    60_A     0.626     0    0.077   0.840     4.032   92.857   78.571
LGA    K    61_B      K    61_A     0.484     0    0.039   0.612     2.052   95.238   90.952
LGA    A    62_B      A    62_A     0.530     0    0.019   0.025     0.562   90.476   90.476
LGA    R    63_B      R    63_A     0.641     0    0.018   1.152     3.537   90.476   81.342
LGA    N    64_B      N    64_A     0.589     0    0.031   0.080     0.615   90.476   90.476
LGA    W    65_B      W    65_A     0.589     0    0.034   0.099     0.748   90.476   96.599
LGA    K    66_B      K    66_A     0.702     0    0.018   0.318     1.399   90.476   90.529
LGA    L    67_B      L    67_A     0.856     0    0.024   0.100     1.288   90.476   89.345
LGA    Q    68_B      Q    68_A     0.907     0    0.018   0.989     4.585   88.214   72.698
LGA    Y    69_B      Y    69_A     0.921     0    0.064   0.135     1.229   88.214   89.722
LGA    L    70_B      L    70_A     1.081     0    0.015   0.158     1.324   83.690   82.560
LGA    K    71_B      K    71_A     1.431     0    0.034   1.289     5.451   77.143   69.153
LGA    S    72_B      S    72_A     1.736     0    0.016   0.559     1.991   72.857   72.857
LGA    G    73_B      G    73_A     1.709     0    0.018   0.018     1.709   72.857   72.857
LGA    K    74_B      K    74_A     1.197     0    0.045   0.972     5.845   83.690   67.302
LGA    P    75_B      P    75_A     0.688     0    0.027   0.314     1.411   90.476   89.184
LGA    L    76_B      L    76_A     0.601     0    0.042   0.197     1.603   92.857   87.202
LGA    P    77_B      P    77_A     0.269     0    0.019   0.356     0.711   97.619   97.279
LGA    D    78_B      D    78_A     0.578     0    0.035   0.732     1.793   92.857   87.262
LGA    Y    79_B      Y    79_A     0.548     0    0.149   0.183     1.043   92.857   90.516
LGA    L    80_B      L    80_A     0.668     0    0.101   0.109     0.794   92.857   91.667
LGA    I    81_B      I    81_A     0.652     0    0.071   0.651     1.509   95.238   89.524
LGA    K    82_B      K    82_A     1.017     0    0.138   0.733     3.169   88.214   74.497
LGA    V    83_B      V    83_A     0.358     0    0.200   0.201     0.782   95.238   95.918
LGA    T    84_B      T    84_A     2.593     0    0.060   1.150     6.631   55.833   43.605
LGA    G    85_B      G    85_A     3.814     0    0.132   0.132     3.814   51.905   51.905
LGA    N    86_B      N    86_A     3.712     0    0.503   1.174     5.488   46.667   44.524
LGA    L    87_B      L    87_A     4.253     0    0.081   0.187     9.175   38.690   23.512
LGA    E    88_B      E    88_A     5.904     0    0.043   1.256    13.149   24.048   11.481

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       83     332    332  100.00     673    673  100.00                83
SUMMARY(RMSD_GDC):     1.635          1.608                  2.233           86.952   83.326

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  102   83    4.0     81    1.30    93.072    95.714     5.773

LGA_LOCAL      RMSD:   1.303  Number of atoms:   81  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.670  Number of assigned atoms:   83 
Std_ASGN_ATOMS RMSD:   1.635  Standard rmsd on all 83 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.445772 * X  +  -0.885603 * Y  +  -0.130363 * Z  +  11.793772
  Y_new =  -0.888395 * X  +   0.455546 * Y  +  -0.056855 * Z  +   2.975016
  Z_new =   0.109737 * X  +   0.090469 * Y  +  -0.989835 * Z  +  16.584949 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.035861 -0.109958  3.050448   [DEG: -116.6462   -6.3001  174.7778 ]
ZXZ: -1.159539  2.998888  0.881341   [DEG:  -66.4367  171.8236   50.4971 ]
 
# END of job
