
#######################################################
#                                                     #
#                        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        2.63     2.63
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    80       6_A - 85_A        1.74     2.73
  LCS_AVERAGE:     94.16

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    75       9_A - 83_A        0.95     2.85
  LONGEST_CONTINUOUS_SEGMENT:    75      10_A - 84_A        0.94     2.82
  LCS_AVERAGE:     84.79

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   80   83      0    4    5   10   60   65   70   77   79   79   79   79   79   80   81   82   83   83   83   83 
LCS_GDT     K     7_B     K     7_A     57   80   83      4   17   50   63   72   78   78   78   79   79   79   79   79   80   81   82   83   83   83   83 
LCS_GDT     P     8_B     P     8_A     65   80   83      4    4   29   63   72   78   78   78   79   79   79   79   79   80   81   82   83   83   83   83 
LCS_GDT     K     9_B     K     9_A     75   80   83      4    4   10   64   74   78   78   78   79   79   79   79   79   80   81   82   83   83   83   83 
LCS_GDT     A    10_B     A    10_A     75   80   83      4    4   10   60   72   78   78   78   79   79   79   79   79   80   81   82   83   83   83   83 
LCS_GDT     K    11_B     K    11_A     75   80   83     14   47   67   72   74   78   78   78   79   79   79   79   79   80   81   82   83   83   83   83 
LCS_GDT     R    12_B     R    12_A     75   80   83     35   65   70   72   74   78   78   78   79   79   79   79   79   80   81   82   83   83   83   83 
LCS_GDT     T    13_B     T    13_A     75   80   83     35   65   70   72   74   78   78   78   79   79   79   79   79   80   81   82   83   83   83   83 
LCS_GDT     W    14_B     W    14_A     75   80   83     35   65   70   72   74   78   78   78   79   79   79   79   79   80   81   82   83   83   83   83 
LCS_GDT     S    15_B     S    15_A     75   80   83     35   65   70   72   74   78   78   78   79   79   79   79   79   80   81   82   83   83   83   83 
LCS_GDT     K    16_B     K    16_A     75   80   83     35   65   70   72   74   78   78   78   79   79   79   79   79   80   81   82   83   83   83   83 
LCS_GDT     E    17_B     E    17_A     75   80   83     21   65   70   72   74   78   78   78   79   79   79   79   79   80   81   82   83   83   83   83 
LCS_GDT     E    18_B     E    18_A     75   80   83     38   65   70   72   74   78   78   78   79   79   79   79   79   80   81   82   83   83   83   83 
LCS_GDT     E    19_B     E    19_A     75   80   83     38   65   70   72   74   78   78   78   79   79   79   79   79   80   81   82   83   83   83   83 
LCS_GDT     E    20_B     E    20_A     75   80   83     35   65   70   72   74   78   78   78   79   79   79   79   79   80   81   82   83   83   83   83 
LCS_GDT     A    21_B     A    21_A     75   80   83     30   65   70   72   74   78   78   78   79   79   79   79   79   80   81   82   83   83   83   83 
LCS_GDT     L    22_B     L    22_A     75   80   83     38   65   70   72   74   78   78   78   79   79   79   79   79   80   81   82   83   83   83   83 
LCS_GDT     V    23_B     V    23_A     75   80   83     38   65   70   72   74   78   78   78   79   79   79   79   79   80   81   82   83   83   83   83 
LCS_GDT     E    24_B     E    24_A     75   80   83     38   65   70   72   74   78   78   78   79   79   79   79   79   80   81   82   83   83   83   83 
LCS_GDT     G    25_B     G    25_A     75   80   83     38   65   70   72   74   78   78   78   79   79   79   79   79   80   81   82   83   83   83   83 
LCS_GDT     L    26_B     L    26_A     75   80   83     38   65   70   72   74   78   78   78   79   79   79   79   79   80   81   82   83   83   83   83 
LCS_GDT     K    27_B     K    27_A     75   80   83     38   65   70   72   74   78   78   78   79   79   79   79   79   80   81   82   83   83   83   83 
LCS_GDT     E    28_B     E    28_A     75   80   83     36   65   70   72   74   78   78   78   79   79   79   79   79   80   81   82   83   83   83   83 
LCS_GDT     V    29_B     V    29_A     75   80   83     32   65   70   72   74   78   78   78   79   79   79   79   79   80   81   82   83   83   83   83 
LCS_GDT     G    30_B     G    30_A     75   80   83     28   65   70   72   74   78   78   78   79   79   79   79   79   80   81   82   83   83   83   83 
LCS_GDT     P    31_B     P    31_A     75   80   83     36   65   70   72   74   78   78   78   79   79   79   79   79   80   81   82   83   83   83   83 
LCS_GDT     S    32_B     S    32_A     75   80   83     38   65   70   72   74   78   78   78   79   79   79   79   79   80   81   82   83   83   83   83 
LCS_GDT     W    33_B     W    33_A     75   80   83     38   65   70   72   74   78   78   78   79   79   79   79   79   80   81   82   83   83   83   83 
LCS_GDT     S    34_B     S    34_A     75   80   83     38   65   70   72   74   78   78   78   79   79   79   79   79   80   81   82   83   83   83   83 
LCS_GDT     K    35_B     K    35_A     75   80   83     38   65   70   72   74   78   78   78   79   79   79   79   79   80   81   82   83   83   83   83 
LCS_GDT     I    36_B     I    36_A     75   80   83     38   65   70   72   74   78   78   78   79   79   79   79   79   80   81   82   83   83   83   83 
LCS_GDT     L    37_B     L    37_A     75   80   83     27   65   70   72   74   78   78   78   79   79   79   79   79   80   81   82   83   83   83   83 
LCS_GDT     D    38_B     D    38_A     75   80   83     35   65   70   72   74   78   78   78   79   79   79   79   79   80   81   82   83   83   83   83 
LCS_GDT     L    39_B     L    39_A     75   80   83     38   65   70   72   74   78   78   78   79   79   79   79   79   80   81   82   83   83   83   83 
LCS_GDT     Y    40_B     Y    40_A     75   80   83     38   65   70   72   74   78   78   78   79   79   79   79   79   80   81   82   83   83   83   83 
LCS_GDT     G    41_B     G    41_A     75   80   83     38   65   70   72   74   78   78   78   79   79   79   79   79   80   81   82   83   83   83   83 
LCS_GDT     P    42_B     P    42_A     75   80   83     38   65   70   72   74   78   78   78   79   79   79   79   79   80   81   82   83   83   83   83 
LCS_GDT     G    43_B     G    43_A     75   80   83     38   65   70   72   74   78   78   78   79   79   79   79   79   80   81   82   83   83   83   83 
LCS_GDT     G    44_B     G    44_A     75   80   83     38   65   70   72   74   78   78   78   79   79   79   79   79   80   81   82   83   83   83   83 
LCS_GDT     K    45_B     K    45_A     75   80   83     27   65   70   72   74   78   78   78   79   79   79   79   79   80   81   82   83   83   83   83 
LCS_GDT     I    46_B     I    46_A     75   80   83     14   65   70   72   74   78   78   78   79   79   79   79   79   80   81   82   83   83   83   83 
LCS_GDT     T    47_B     T    47_A     75   80   83     37   65   70   72   74   78   78   78   79   79   79   79   79   80   81   82   83   83   83   83 
LCS_GDT     E    48_B     E    48_A     75   80   83     38   65   70   72   74   78   78   78   79   79   79   79   79   80   81   82   83   83   83   83 
LCS_GDT     N    49_B     N    49_A     75   80   83     33   65   70   72   74   78   78   78   79   79   79   79   79   80   81   82   83   83   83   83 
LCS_GDT     L    50_B     L    50_A     75   80   83     35   65   70   72   74   78   78   78   79   79   79   79   79   80   81   82   83   83   83   83 
LCS_GDT     K    51_B     K    51_A     75   80   83     36   65   70   72   74   78   78   78   79   79   79   79   79   80   81   82   83   83   83   83 
LCS_GDT     N    52_B     N    52_A     75   80   83     10   65   70   72   74   78   78   78   79   79   79   79   79   80   81   82   83   83   83   83 
LCS_GDT     R    53_B     R    53_A     75   80   83     38   65   70   72   74   78   78   78   79   79   79   79   79   80   81   82   83   83   83   83 
LCS_GDT     T    54_B     T    54_A     75   80   83     38   65   70   72   74   78   78   78   79   79   79   79   79   80   81   82   83   83   83   83 
LCS_GDT     Q    55_B     Q    55_A     75   80   83     38   65   70   72   74   78   78   78   79   79   79   79   79   80   81   82   83   83   83   83 
LCS_GDT     V    56_B     V    56_A     75   80   83     38   65   70   72   74   78   78   78   79   79   79   79   79   80   81   82   83   83   83   83 
LCS_GDT     Q    57_B     Q    57_A     75   80   83     38   65   70   72   74   78   78   78   79   79   79   79   79   80   81   82   83   83   83   83 
LCS_GDT     L    58_B     L    58_A     75   80   83     38   65   70   72   74   78   78   78   79   79   79   79   79   80   81   82   83   83   83   83 
LCS_GDT     K    59_B     K    59_A     75   80   83     38   65   70   72   74   78   78   78   79   79   79   79   79   80   81   82   83   83   83   83 
LCS_GDT     D    60_B     D    60_A     75   80   83     38   65   70   72   74   78   78   78   79   79   79   79   79   80   81   82   83   83   83   83 
LCS_GDT     K    61_B     K    61_A     75   80   83     38   65   70   72   74   78   78   78   79   79   79   79   79   80   81   82   83   83   83   83 
LCS_GDT     A    62_B     A    62_A     75   80   83     38   65   70   72   74   78   78   78   79   79   79   79   79   80   81   82   83   83   83   83 
LCS_GDT     R    63_B     R    63_A     75   80   83     38   65   70   72   74   78   78   78   79   79   79   79   79   80   81   82   83   83   83   83 
LCS_GDT     N    64_B     N    64_A     75   80   83     27   65   70   72   74   78   78   78   79   79   79   79   79   80   81   82   83   83   83   83 
LCS_GDT     W    65_B     W    65_A     75   80   83     27   65   70   72   74   78   78   78   79   79   79   79   79   80   81   82   83   83   83   83 
LCS_GDT     K    66_B     K    66_A     75   80   83     38   65   70   72   74   78   78   78   79   79   79   79   79   80   81   82   83   83   83   83 
LCS_GDT     L    67_B     L    67_A     75   80   83     37   65   70   72   74   78   78   78   79   79   79   79   79   80   81   82   83   83   83   83 
LCS_GDT     Q    68_B     Q    68_A     75   80   83     27   65   70   72   74   78   78   78   79   79   79   79   79   80   81   82   83   83   83   83 
LCS_GDT     Y    69_B     Y    69_A     75   80   83     26   65   70   72   74   78   78   78   79   79   79   79   79   80   81   82   83   83   83   83 
LCS_GDT     L    70_B     L    70_A     75   80   83     38   65   70   72   74   78   78   78   79   79   79   79   79   80   81   82   83   83   83   83 
LCS_GDT     K    71_B     K    71_A     75   80   83     38   65   70   72   74   78   78   78   79   79   79   79   79   80   81   82   83   83   83   83 
LCS_GDT     S    72_B     S    72_A     75   80   83     10   65   70   72   74   78   78   78   79   79   79   79   79   80   81   82   83   83   83   83 
LCS_GDT     G    73_B     G    73_A     75   80   83     10   62   70   72   74   78   78   78   79   79   79   79   79   80   81   82   83   83   83   83 
LCS_GDT     K    74_B     K    74_A     75   80   83     19   65   70   72   74   78   78   78   79   79   79   79   79   80   81   82   83   83   83   83 
LCS_GDT     P    75_B     P    75_A     75   80   83     33   65   70   72   74   78   78   78   79   79   79   79   79   80   81   82   83   83   83   83 
LCS_GDT     L    76_B     L    76_A     75   80   83     37   65   70   72   74   78   78   78   79   79   79   79   79   80   81   82   83   83   83   83 
LCS_GDT     P    77_B     P    77_A     75   80   83     38   65   70   72   74   78   78   78   79   79   79   79   79   80   81   82   83   83   83   83 
LCS_GDT     D    78_B     D    78_A     75   80   83     38   65   70   72   74   78   78   78   79   79   79   79   79   80   81   82   83   83   83   83 
LCS_GDT     Y    79_B     Y    79_A     75   80   83     38   65   70   72   74   78   78   78   79   79   79   79   79   80   81   82   83   83   83   83 
LCS_GDT     L    80_B     L    80_A     75   80   83     38   65   70   72   74   78   78   78   79   79   79   79   79   80   81   82   83   83   83   83 
LCS_GDT     I    81_B     I    81_A     75   80   83     33   65   70   72   74   78   78   78   79   79   79   79   79   80   81   82   83   83   83   83 
LCS_GDT     K    82_B     K    82_A     75   80   83      7   39   66   72   74   78   78   78   79   79   79   79   79   80   81   82   83   83   83   83 
LCS_GDT     V    83_B     V    83_A     75   80   83      7   54   70   72   74   78   78   78   79   79   79   79   79   80   81   82   83   83   83   83 
LCS_GDT     T    84_B     T    84_A     75   80   83      3   23   58   71   73   78   78   78   79   79   79   79   79   80   81   82   83   83   83   83 
LCS_GDT     G    85_B     G    85_A      4   80   83      3    4    4    4    5   11   20   45   63   69   73   76   76   80   81   82   83   83   83   83 
LCS_GDT     N    86_B     N    86_A      4   79   83      3    4    4    5    7   15   27   33   39   50   67   73   75   78   80   82   83   83   83   83 
LCS_GDT     L    87_B     L    87_A      3    4   83      3    3    3    3    3   10   16   24   39   45   57   67   73   78   80   82   83   83   83   83 
LCS_GDT     E    88_B     E    88_A      3    4   83      3    3    3   13   18   21   34   63   67   74   75   76   76   80   81   82   83   83   83   83 
LCS_AVERAGE  LCS_A:  92.98  (  84.79   94.16  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     38     65     70     72     74     78     78     78     79     79     79     79     79     80     81     82     83     83     83     83 
GDT PERCENT_AT  45.78  78.31  84.34  86.75  89.16  93.98  93.98  93.98  95.18  95.18  95.18  95.18  95.18  96.39  97.59  98.80 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.34   0.53   0.60   0.68   0.86   1.20   1.20   1.20   1.40   1.40   1.40   1.40   1.40   1.80   2.05   2.35   2.63   2.63   2.63   2.63
GDT RMS_ALL_AT   2.84   2.85   2.87   2.86   2.84   2.81   2.81   2.81   2.79   2.79   2.79   2.79   2.79   2.71   2.67   2.64   2.63   2.63   2.63   2.63

# 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     6.866     0    0.581   1.302    15.815   11.905    4.589
LGA    K     7_B      K     7_A     3.979     0    0.137   1.309     8.474   40.357   32.487
LGA    P     8_B      P     8_A     3.693     0    0.107   0.356     4.289   45.000   42.517
LGA    K     9_B      K     9_A     2.799     0    0.068   0.731     3.903   57.143   55.661
LGA    A    10_B      A    10_A     3.152     0    0.124   0.165     3.496   51.786   51.429
LGA    K    11_B      K    11_A     1.581     0    0.114   0.745     5.412   72.976   63.386
LGA    R    12_B      R    12_A     0.347     0    0.036   0.674     4.432  100.000   75.498
LGA    T    13_B      T    13_A     0.374     0    0.063   1.004     2.855   97.619   87.279
LGA    W    14_B      W    14_A     0.421     0    0.050   0.155     1.271  100.000   93.299
LGA    S    15_B      S    15_A     0.530     0    0.050   0.655     2.175   92.857   87.778
LGA    K    16_B      K    16_A     0.441     0    0.066   0.991     3.603   95.238   85.767
LGA    E    17_B      E    17_A     0.655     0    0.047   0.802     3.436   90.476   83.016
LGA    E    18_B      E    18_A     0.577     0    0.072   0.195     0.947   90.476   94.709
LGA    E    19_B      E    19_A     0.563     0    0.025   0.183     1.072   90.476   89.471
LGA    E    20_B      E    20_A     0.589     0    0.153   0.534     1.404   88.214   87.460
LGA    A    21_B      A    21_A     0.611     0    0.027   0.041     0.700   90.476   90.476
LGA    L    22_B      L    22_A     0.535     0    0.026   0.038     0.631   90.476   94.048
LGA    V    23_B      V    23_A     0.558     0    0.020   0.073     0.795   95.238   93.197
LGA    E    24_B      E    24_A     0.286     0    0.084   1.004     4.029  100.000   84.339
LGA    G    25_B      G    25_A     0.166     0    0.011   0.011     0.191  100.000  100.000
LGA    L    26_B      L    26_A     0.253     0    0.061   0.101     0.468  100.000  100.000
LGA    K    27_B      K    27_A     0.238     0    0.122   0.908     2.864  100.000   91.111
LGA    E    28_B      E    28_A     0.708     0    0.040   0.744     2.845   90.476   77.354
LGA    V    29_B      V    29_A     0.845     0    0.050   0.093     1.117   88.214   89.184
LGA    G    30_B      G    30_A     0.896     0    0.024   0.024     0.896   90.476   90.476
LGA    P    31_B      P    31_A     0.824     0    0.023   0.038     1.091   90.476   87.891
LGA    S    32_B      S    32_A     0.391     0    0.063   0.185     0.486  100.000  100.000
LGA    W    33_B      W    33_A     0.302     0    0.023   0.078     0.442  100.000  100.000
LGA    S    34_B      S    34_A     0.439     0    0.028   0.715     2.585  100.000   91.270
LGA    K    35_B      K    35_A     0.290     0    0.029   0.944     4.862  100.000   78.466
LGA    I    36_B      I    36_A     0.144     0    0.040   0.072     0.367  100.000  100.000
LGA    L    37_B      L    37_A     0.553     0    0.042   1.361     3.618   92.857   81.369
LGA    D    38_B      D    38_A     0.412     0    0.037   0.902     3.093  100.000   85.952
LGA    L    39_B      L    39_A     0.281     0    0.015   0.201     0.617  100.000   96.429
LGA    Y    40_B      Y    40_A     0.345     0    0.027   0.206     1.267  100.000   93.730
LGA    G    41_B      G    41_A     0.134     0    0.015   0.015     0.208  100.000  100.000
LGA    P    42_B      P    42_A     0.406     0    0.039   0.297     1.234  100.000   95.986
LGA    G    43_B      G    43_A     0.631     0    0.058   0.058     0.744   90.476   90.476
LGA    G    44_B      G    44_A     0.482     0    0.034   0.034     0.622   95.238   95.238
LGA    K    45_B      K    45_A     0.971     0    0.073   0.592     2.605   85.952   76.190
LGA    I    46_B      I    46_A     1.002     0    0.022   0.038     1.288   85.952   87.083
LGA    T    47_B      T    47_A     0.671     0    0.047   0.254     1.050   90.476   89.184
LGA    E    48_B      E    48_A     0.316     0    0.022   0.336     1.139   95.238   94.762
LGA    N    49_B      N    49_A     0.994     0    0.101   0.631     2.615   83.810   79.583
LGA    L    50_B      L    50_A     0.943     0    0.072   0.114     0.976   90.476   90.476
LGA    K    51_B      K    51_A     0.862     0    0.078   0.669     2.199   90.476   88.677
LGA    N    52_B      N    52_A     0.973     0    0.036   1.087     3.313   88.214   82.024
LGA    R    53_B      R    53_A     0.683     0    0.072   0.163     1.048   88.214   90.519
LGA    T    54_B      T    54_A     0.534     0    0.070   0.087     0.924   95.238   93.197
LGA    Q    55_B      Q    55_A     0.503     0    0.037   0.614     1.928   90.476   83.598
LGA    V    56_B      V    56_A     0.716     0    0.053   0.058     1.083   90.476   87.891
LGA    Q    57_B      Q    57_A     0.532     0    0.017   0.106     0.801   92.857   93.651
LGA    L    58_B      L    58_A     0.354     0    0.045   0.296     0.794   97.619   96.429
LGA    K    59_B      K    59_A     0.695     0    0.042   0.748     4.555   90.476   74.709
LGA    D    60_B      D    60_A     0.955     0    0.049   0.826     2.430   88.214   85.000
LGA    K    61_B      K    61_A     0.829     0    0.048   0.611     1.426   90.476   87.460
LGA    A    62_B      A    62_A     0.499     0    0.018   0.023     0.705   92.857   94.286
LGA    R    63_B      R    63_A     0.869     0    0.028   1.091     3.922   85.952   78.961
LGA    N    64_B      N    64_A     1.413     0    0.013   0.114     2.116   81.429   76.131
LGA    W    65_B      W    65_A     1.258     0    0.055   0.198     1.372   81.429   85.952
LGA    K    66_B      K    66_A     0.790     0    0.031   0.305     1.940   90.476   90.635
LGA    L    67_B      L    67_A     1.071     0    0.030   0.035     1.414   83.690   82.560
LGA    Q    68_B      Q    68_A     1.627     0    0.026   1.090     5.684   77.143   61.587
LGA    Y    69_B      Y    69_A     1.400     0    0.056   0.117     1.962   81.429   76.429
LGA    L    70_B      L    70_A     0.789     0    0.024   0.179     1.020   90.476   89.345
LGA    K    71_B      K    71_A     0.982     0    0.015   0.974     5.201   85.952   72.116
LGA    S    72_B      S    72_A     1.796     0    0.016   0.725     2.116   70.833   72.937
LGA    G    73_B      G    73_A     1.729     0    0.041   0.041     2.053   70.833   70.833
LGA    K    74_B      K    74_A     1.757     0    0.053   0.938     5.979   72.857   59.206
LGA    P    75_B      P    75_A     1.388     0    0.010   0.326     2.281   79.286   76.599
LGA    L    76_B      L    76_A     0.982     0    0.041   0.264     1.666   88.214   84.881
LGA    P    77_B      P    77_A     0.449     0    0.011   0.339     0.858   92.857   91.837
LGA    D    78_B      D    78_A     0.417     0    0.059   0.569     1.885  100.000   93.036
LGA    Y    79_B      Y    79_A     0.266     0    0.195   0.205     0.733   97.619   95.238
LGA    L    80_B      L    80_A     0.560     0    0.120   0.133     0.699   92.857   91.667
LGA    I    81_B      I    81_A     0.914     0    0.063   0.670     2.077   85.952   79.464
LGA    K    82_B      K    82_A     2.301     0    0.227   0.801     5.535   66.786   52.222
LGA    V    83_B      V    83_A     1.721     0    0.203   0.244     1.933   72.857   76.531
LGA    T    84_B      T    84_A     3.079     0    0.632   1.411     6.567   35.476   36.395
LGA    G    85_B      G    85_A     9.611     0    0.655   0.655    10.206    2.619    2.619
LGA    N    86_B      N    86_A    11.675     0    0.634   1.202    12.778    0.000    0.000
LGA    L    87_B      L    87_A    12.423     0    0.027   0.316    14.828    0.000    0.000
LGA    E    88_B      E    88_A    10.526     0    0.034   0.971    14.019    0.476    0.212

# 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):     2.631          2.637                  3.106           82.577   78.475

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  102   83    4.0     78    1.20    89.458    91.867     6.004

LGA_LOCAL      RMSD:   1.199  Number of atoms:   78  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.805  Number of assigned atoms:   83 
Std_ASGN_ATOMS RMSD:   2.631  Standard rmsd on all 83 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.392346 * X  +   0.835933 * Y  +  -0.383772 * Z  +  13.743001
  Y_new =  -0.326797 * X  +  -0.263324 * Y  +  -0.907670 * Z  +   1.644927
  Z_new =  -0.859807 * X  +   0.481536 * Y  +   0.169866 * Z  +  20.083441 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.694500  1.034892  1.231666   [DEG:  -39.7919   59.2950   70.5693 ]
ZXZ: -0.400015  1.400103 -1.060269   [DEG:  -22.9192   80.2200  -60.7489 ]
 
# END of job
