
#######################################################
#                                                     #
#                        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   83 (  654),  selected   81 , name one
# Molecule2: number of CA atoms   81 (  640),  selected   81 , 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:    29      42_B - 70_B        4.91    14.75
  LONGEST_CONTINUOUS_SEGMENT:    29      43_B - 71_B        4.79    14.82
  LONGEST_CONTINUOUS_SEGMENT:    29      44_B - 72_B        4.98    14.75
  LONGEST_CONTINUOUS_SEGMENT:    29      45_B - 73_B        4.94    14.59
  LCS_AVERAGE:     32.34

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    19      46_B - 64_B        1.96    17.94
  LCS_AVERAGE:     17.63

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    16      48_B - 63_B        0.98    18.92
  LONGEST_CONTINUOUS_SEGMENT:    16      68_B - 83_B        0.83    16.63
  LCS_AVERAGE:     13.61

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   81
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     G     3_B     G     3_B      4    4   15      3    3    4    5    5    6    6    7    8   10   16   21   27   30   36   38   40   43   44   47 
LCS_GDT     M     4_B     M     4_B      4    4   24      3    3    4    5    5    6    7    8    9   16   18   25   29   32   36   38   40   43   44   47 
LCS_GDT     E     5_B     E     5_B      4   11   24      3    3    6   10   13   14   17   18   21   24   26   28   29   33   36   38   40   43   44   47 
LCS_GDT     K     6_B     K     6_B      6   11   24      3    6    9   11   13   16   18   21   22   24   26   28   30   33   36   38   40   43   44   47 
LCS_GDT     V     7_B     V     7_B      6   11   24      4    6    9   12   17   17   20   21   22   24   26   28   30   33   36   38   40   43   44   47 
LCS_GDT     T     8_B     T     8_B      6   11   24      3    6    7   10   13   16   17   19   22   24   26   28   30   33   36   38   40   43   44   47 
LCS_GDT     V     9_B     V     9_B      6   11   24      3    6    7   10   13   17   18   20   22   24   26   28   30   33   36   38   40   43   44   47 
LCS_GDT     V    10_B     V    10_B      6   11   24      3    6    7   10   13   16   17   18   21   24   26   28   29   32   35   37   40   43   44   47 
LCS_GDT     L    11_B     L    11_B      6   11   24      3    5    6   10   13   16   17   18   21   24   26   28   29   32   35   37   40   43   44   47 
LCS_GDT     Y    12_B     Y    12_B      6   11   24      3    4    7   10   13   16   17   18   21   24   26   28   29   32   34   37   40   43   44   47 
LCS_GDT     V    13_B     V    13_B      5   11   24      4    6    7   10   13   16   17   21   24   25   27   29   29   32   34   37   40   43   44   47 
LCS_GDT     N    14_B     N    14_B      5   11   24      4    4    6    9   13   16   17   18   19   23   25   29   29   31   33   37   40   43   44   47 
LCS_GDT     G    15_B     G    15_B      5   11   24      4    4    6    7    8   13   19   21   24   25   27   29   29   30   32   36   40   43   44   47 
LCS_GDT     D    16_B     D    16_B      4    7   24      1    3    4    6   10   16   17   21   24   25   27   29   29   31   33   37   40   43   44   47 
LCS_GDT     E    17_B     E    17_B      4    5   27      3    3    4    5   13   16   19   21   24   25   27   29   29   32   34   37   40   43   44   47 
LCS_GDT     V    18_B     V    18_B      4    4   27      3    3    4    4    6    8    9   11   18   24   27   29   29   32   35   38   40   43   44   47 
LCS_GDT     A    19_B     A    19_B      3    4   27      3    3    3    6    7   10   14   17   20   24   27   29   30   33   36   38   40   43   44   47 
LCS_GDT     L    20_B     L    20_B      3   17   27      3    3    3    6   11   14   18   21   22   23   27   29   30   33   36   38   40   43   44   47 
LCS_GDT     V    21_B     V    21_B     15   18   27     10   13   15   15   17   19   20   21   22   23   25   27   30   33   36   38   39   43   44   47 
LCS_GDT     H    22_B     H    22_B     15   18   27     10   13   15   15   17   18   20   21   22   23   25   27   30   33   36   38   39   41   44   47 
LCS_GDT     A    23_B     A    23_B     15   18   27     10   13   15   15   17   18   20   21   22   23   25   27   30   33   36   38   40   43   44   47 
LCS_GDT     F    24_B     F    24_B     15   18   27     10   13   15   15   17   18   20   21   22   23   25   27   30   33   36   38   40   43   44   47 
LCS_GDT     M    25_B     M    25_B     15   18   27     10   13   15   15   17   18   20   21   22   23   26   28   30   33   36   38   40   43   44   47 
LCS_GDT     T    26_B     T    26_B     15   18   27     10   13   15   15   17   18   20   21   22   24   26   28   30   33   36   38   40   43   44   47 
LCS_GDT     T    27_B     T    27_B     15   18   27     10   13   15   15   17   18   20   21   22   24   26   28   30   33   36   38   40   43   44   47 
LCS_GDT     A    28_B     A    28_B     15   18   27     10   13   15   15   17   18   20   21   22   24   26   28   30   33   36   38   40   43   44   47 
LCS_GDT     S    29_B     S    29_B     15   18   27     10   13   15   15   17   18   20   21   22   24   26   28   30   33   36   38   40   43   44   47 
LCS_GDT     L    30_B     L    30_B     15   18   27     10   13   15   15   17   18   20   21   22   24   26   28   30   33   36   38   40   43   44   47 
LCS_GDT     L    31_B     L    31_B     15   18   27      9   13   15   15   17   18   20   21   22   24   26   28   30   33   36   38   40   43   44   47 
LCS_GDT     A    32_B     A    32_B     15   18   27     10   13   15   15   17   18   20   21   22   23   25   27   30   33   36   38   40   43   44   47 
LCS_GDT     K    33_B     K    33_B     15   18   27     10   13   15   15   17   18   20   21   22   23   25   27   30   33   36   38   40   43   44   47 
LCS_GDT     E    34_B     E    34_B     15   18   27      4   12   15   15   17   18   20   21   22   23   25   27   30   33   36   38   40   43   44   47 
LCS_GDT     G    35_B     G    35_B     15   18   27      4    9   15   15   17   18   20   21   22   23   25   27   30   33   36   38   40   43   44   47 
LCS_GDT     K    36_B     K    36_B      3   18   27      0    3    9   12   16   18   20   21   22   23   25   27   30   33   36   38   40   43   44   47 
LCS_GDT     L    37_B     L    37_B      3   18   27      0    3    3   15   17   18   20   21   22   24   26   28   30   33   36   38   40   43   44   47 
LCS_GDT     V    38_B     V    38_B      3   18   27      3    3    3    4   13   17   18   20   22   24   26   28   30   33   36   38   40   43   44   47 
LCS_GDT     E    39_B     E    39_B      3    4   27      3    3    3    4    5    7   13   18   21   23   24   27   29   32   34   36   40   43   44   47 
LCS_GDT     K    40_B     K    40_B      3    4   27      3    3    4    4    7   10   15   18   21   24   26   28   29   32   34   36   40   43   44   47 
LCS_GDT     L    41_B     L    41_B      3    4   27      3    3    4    9   13   16   17   18   21   24   26   28   29   32   34   37   40   43   44   47 
LCS_GDT     I    42_B     I    42_B      3    4   29      3    3   16   17   18   19   20   21   24   25   27   29   29   32   34   36   40   43   44   47 
LCS_GDT     L    43_B     L    43_B      3    4   29      3    3    5   13   18   19   20   21   24   25   27   29   29   32   34   37   40   43   44   47 
LCS_GDT     T    44_B     T    44_B      3    6   29      3    3    3    6   14   17   20   21   24   25   27   29   29   31   32   36   40   43   44   47 
LCS_GDT     S    45_B     S    45_B      3    6   29      2    3    4    5   13   16   19   21   24   25   27   29   29   32   34   35   38   41   44   46 
LCS_GDT     N    46_B     N    46_B      4   19   29      0    3    4    5    6    8   10   18   21   25   26   29   29   32   34   35   38   39   40   42 
LCS_GDT     F    47_B     F    47_B     15   19   29      3   10   14   16   17   18   18   18   21   22   24   26   29   32   34   35   38   39   40   43 
LCS_GDT     T    48_B     T    48_B     16   19   29      3    4   11   16   17   18   18   18   21   23   24   26   29   32   34   36   40   43   44   47 
LCS_GDT     E    49_B     E    49_B     16   19   29      7   13   15   16   17   18   18   18   21   24   26   28   29   32   34   36   40   43   44   47 
LCS_GDT     R    50_B     R    50_B     16   19   29      7   13   15   16   17   18   18   18   21   23   26   28   29   32   34   37   40   43   44   47 
LCS_GDT     T    51_B     T    51_B     16   19   29      7   13   15   16   17   18   18   18   21   22   24   26   29   32   34   37   40   43   44   47 
LCS_GDT     V    52_B     V    52_B     16   19   29      7   13   15   16   17   18   18   18   21   24   26   28   29   32   34   37   40   43   44   47 
LCS_GDT     R    53_B     R    53_B     16   19   29      7   13   15   16   17   18   18   18   21   22   24   28   29   32   34   37   39   43   44   47 
LCS_GDT     R    54_B     R    54_B     16   19   29      7   13   15   16   17   18   18   18   21   22   24   26   29   32   34   37   39   43   44   47 
LCS_GDT     A    55_B     A    55_B     16   19   29      7   13   15   16   17   18   18   18   21   22   24   26   29   32   35   37   40   43   44   47 
LCS_GDT     F    56_B     F    56_B     16   19   29      7   13   15   16   17   18   18   18   21   22   24   27   30   33   36   38   40   43   44   47 
LCS_GDT     D    57_B     D    57_B     16   19   29      7   13   15   16   17   18   18   18   21   22   24   27   30   33   36   38   40   43   44   47 
LCS_GDT     L    58_B     L    58_B     16   19   29      5   13   15   16   17   18   18   18   21   22   24   26   29   32   34   37   40   43   44   47 
LCS_GDT     V    59_B     V    59_B     16   19   29      5   13   15   16   17   18   18   18   21   22   24   26   29   33   36   38   40   43   44   47 
LCS_GDT     R    60_B     R    60_B     16   19   29      5   13   15   16   17   18   18   18   21   22   24   26   29   33   36   38   40   43   44   47 
LCS_GDT     E    61_B     E    61_B     16   19   29      5   13   15   16   17   18   18   18   21   22   24   26   29   32   34   35   38   43   43   45 
LCS_GDT     L    62_B     L    62_B     16   19   29      3   12   15   16   17   18   18   18   18   20   23   24   25   27   30   32   35   39   40   42 
LCS_GDT     L    63_B     L    63_B     16   19   29      4   10   15   16   17   18   18   18   18   20   23   24   27   31   33   35   38   39   40   42 
LCS_GDT     P    64_B     P    64_B      5   19   29      4    4   12   16   17   18   18   18   21   22   24   26   29   32   34   35   38   39   40   42 
LCS_GDT     A    65_B     A    65_B      5    6   29      4    4    5    5    6    9   10   13   18   22   24   26   29   32   34   35   38   39   40   42 
LCS_GDT     K    66_B     K    66_B      5    6   29      4    4    5    5    6   10   13   18   21   22   24   26   29   32   34   35   38   39   40   42 
LCS_GDT     A    67_B     A    67_B      5    6   29      3    4    5    5    6   10   14   18   21   22   27   28   29   32   34   35   38   39   40   42 
LCS_GDT     E    68_B     E    68_B     16   16   29      3    7   16   17   18   19   20   21   24   25   27   29   29   32   34   35   38   39   40   42 
LCS_GDT     I    69_B     I    69_B     16   16   29      7   14   16   17   18   19   20   21   24   25   26   29   29   32   34   35   38   39   40   42 
LCS_GDT     I    70_B     I    70_B     16   16   29      6   14   16   17   18   19   20   21   24   25   27   29   29   32   34   35   38   39   40   42 
LCS_GDT     D    71_B     D    71_B     16   16   29      7   14   16   17   18   19   20   21   24   25   27   29   29   32   34   35   38   39   40   42 
LCS_GDT     A    72_B     A    72_B     16   16   29      7   14   16   17   18   19   20   21   24   25   27   29   29   32   34   35   38   39   40   42 
LCS_GDT     L    73_B     L    73_B     16   16   29      7   14   16   17   18   19   20   21   24   25   27   29   29   32   36   38   40   43   44   45 
LCS_GDT     R    74_B     R    74_B     16   16   21      7   14   16   17   18   19   20   21   24   25   27   29   29   31   36   38   39   43   44   45 
LCS_GDT     E    75_B     E    75_B     16   16   19      7   14   16   17   18   19   20   21   24   25   27   29   29   31   36   38   39   43   44   45 
LCS_GDT     E    76_B     E    76_B     16   16   19      7   14   16   17   18   19   20   21   24   25   27   29   30   33   36   38   40   43   44   47 
LCS_GDT     A    77_B     A    77_B     16   16   19      6   14   16   17   18   19   20   21   24   25   27   29   30   33   36   38   40   43   44   47 
LCS_GDT     E    78_B     E    78_B     16   16   19      6   14   16   17   18   19   20   21   24   25   27   29   29   33   36   38   40   43   44   46 
LCS_GDT     K    79_B     K    79_B     16   16   19      6   14   16   17   18   19   20   21   24   25   27   29   30   33   36   38   40   43   44   47 
LCS_GDT     Y    80_B     Y    80_B     16   16   19      6   14   16   17   18   19   20   21   24   25   27   29   30   32   36   38   40   43   44   47 
LCS_GDT     F    81_B     F    81_B     16   16   19      6   14   16   17   18   19   20   21   24   25   27   29   29   30   32   34   35   38   40   47 
LCS_GDT     A    82_B     A    82_B     16   16   19      4   14   16   17   18   19   20   21   24   25   27   29   29   30   32   34   36   40   42   47 
LCS_GDT     E    83_B     E    83_B     16   16   19      3   13   16   17   18   19   20   21   24   25   27   29   29   30   32   34   36   40   43   47 
LCS_AVERAGE  LCS_A:  21.20  (  13.61   17.63   32.34 )

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     10     14     16     17     18     19     20     21     24     25     27     29     30     33     36     38     40     43     44     47 
GDT PERCENT_AT  12.35  17.28  19.75  20.99  22.22  23.46  24.69  25.93  29.63  30.86  33.33  35.80  37.04  40.74  44.44  46.91  49.38  53.09  54.32  58.02
GDT RMS_LOCAL    0.32   0.67   0.76   0.85   1.15   1.46   1.75   1.88   7.04   6.96   3.44   6.87   4.24   4.72   4.94   5.19   5.70   6.23   6.04   6.46
GDT RMS_ALL_AT  15.19  16.62  16.66  16.62  16.61  16.76  15.07  15.08  16.87  16.87  16.87  16.96  13.63  13.69  14.30  13.92  13.10  13.52  13.35  14.85

# Checking swapping
#   possible swapping detected:  E     5_B      E     5_B
#   possible swapping detected:  Y    12_B      Y    12_B
#   possible swapping detected:  D    16_B      D    16_B
#   possible swapping detected:  E    39_B      E    39_B
#   possible swapping detected:  E    49_B      E    49_B
#   possible swapping detected:  D    57_B      D    57_B
#   possible swapping detected:  E    68_B      E    68_B
#   possible swapping detected:  D    71_B      D    71_B
#   possible swapping detected:  E    75_B      E    75_B
#   possible swapping detected:  Y    80_B      Y    80_B
#   possible swapping detected:  E    83_B      E    83_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     3_B      G     3_B    10.492     0    0.225   0.225    12.051    0.000    0.000
LGA    M     4_B      M     4_B    11.288     0    0.209   1.425    16.940    0.119    0.060
LGA    E     5_B      E     5_B    10.734     0    0.511   0.909    18.578    0.476    0.212
LGA    K     6_B      K     6_B     6.814     0    0.075   0.435     9.518   11.905    7.460
LGA    V     7_B      V     7_B     3.537     0    0.100   1.084     4.440   46.786   49.456
LGA    T     8_B      T     8_B     5.600     0    0.040   0.079     7.987   20.000   15.306
LGA    V     9_B      V     9_B     7.104     0    0.143   0.232     8.338   10.476   10.476
LGA    V    10_B      V    10_B    11.274     0    0.447   0.584    14.629    0.000    0.000
LGA    L    11_B      L    11_B    13.646     0    0.139   1.306    16.723    0.000    1.488
LGA    Y    12_B      Y    12_B    19.665     0    0.107   0.208    30.611    0.000    0.000
LGA    V    13_B      V    13_B    21.690     0    0.085   0.244    24.102    0.000    0.000
LGA    N    14_B      N    14_B    26.912     0    0.128   0.369    30.175    0.000    0.000
LGA    G    15_B      G    15_B    28.356     0    0.542   0.542    28.356    0.000    0.000
LGA    D    16_B      D    16_B    23.824     0    0.518   1.328    25.175    0.000    0.000
LGA    E    17_B      E    17_B    16.891     0    0.688   1.026    19.727    0.000    0.000
LGA    V    18_B      V    18_B    13.830     0    0.620   1.179    17.073    0.000    0.000
LGA    A    19_B      A    19_B    13.087     0    0.613   0.549    15.482    0.000    0.000
LGA    L    20_B      L    20_B     7.502     0    0.648   1.073    11.317   16.548    8.810
LGA    V    21_B      V    21_B     0.434     0    0.625   1.030     4.830   80.119   67.687
LGA    H    22_B      H    22_B     0.782     0    0.078   0.984     2.978   90.476   82.905
LGA    A    23_B      A    23_B     0.894     0    0.035   0.037     1.287   90.476   88.667
LGA    F    24_B      F    24_B     0.686     0    0.067   0.868     3.524   95.238   80.909
LGA    M    25_B      M    25_B     0.529     0    0.063   0.635     2.162   97.619   87.500
LGA    T    26_B      T    26_B     0.466     0    0.043   0.157     1.119  100.000   94.626
LGA    T    27_B      T    27_B     0.362     0    0.096   0.205     1.263  100.000   94.626
LGA    A    28_B      A    28_B     0.309     0    0.033   0.033     0.351  100.000  100.000
LGA    S    29_B      S    29_B     0.245     0    0.036   0.062     0.528   97.619   98.413
LGA    L    30_B      L    30_B     0.375     0    0.052   0.897     3.673   97.619   83.929
LGA    L    31_B      L    31_B     0.568     0    0.063   1.066     4.011   92.857   83.869
LGA    A    32_B      A    32_B     0.498     0    0.095   0.093     0.786   92.857   94.286
LGA    K    33_B      K    33_B     0.955     0    0.026   0.881     5.269   85.952   66.561
LGA    E    34_B      E    34_B     1.458     0    0.137   0.944     3.461   71.667   68.095
LGA    G    35_B      G    35_B     2.489     0    0.628   0.628     2.489   71.190   71.190
LGA    K    36_B      K    36_B     3.386     0    0.584   0.550    10.619   55.833   31.058
LGA    L    37_B      L    37_B     2.343     0    0.608   1.396     7.670   55.714   39.524
LGA    V    38_B      V    38_B     5.608     0    0.508   0.508     8.389   15.595   22.721
LGA    E    39_B      E    39_B    11.380     0    0.071   0.703    16.127    0.119    0.053
LGA    K    40_B      K    40_B    11.836     0    0.646   0.730    21.519    0.000    0.000
LGA    L    41_B      L    41_B    10.201     0    0.224   1.050    14.015    0.000    1.964
LGA    I    42_B      I    42_B    15.283     0    0.457   1.046    17.425    0.000    0.000
LGA    L    43_B      L    43_B    17.154     0    0.540   0.880    20.848    0.000    0.000
LGA    T    44_B      T    44_B    23.626     0    0.258   0.249    27.563    0.000    0.000
LGA    S    45_B      S    45_B    26.889     0    0.658   0.908    28.471    0.000    0.000
LGA    N    46_B      N    46_B    31.789     0    0.411   1.094    33.442    0.000    0.000
LGA    F    47_B      F    47_B    33.067     0    0.343   1.023    35.985    0.000    0.000
LGA    T    48_B      T    48_B    32.708     0    0.526   0.779    36.647    0.000    0.000
LGA    E    49_B      E    49_B    29.311     0    0.162   0.976    35.486    0.000    0.000
LGA    R    50_B      R    50_B    28.404     0    0.024   1.636    34.765    0.000    0.000
LGA    T    51_B      T    51_B    26.748     0    0.073   1.070    30.108    0.000    0.000
LGA    V    52_B      V    52_B    21.484     0    0.042   0.093    23.867    0.000    0.000
LGA    R    53_B      R    53_B    19.193     0    0.033   1.761    20.679    0.000    0.000
LGA    R    54_B      R    54_B    20.252     0    0.021   1.279    28.518    0.000    0.000
LGA    A    55_B      A    55_B    16.543     0    0.056   0.066    18.230    0.000    0.000
LGA    F    56_B      F    56_B    11.769     0    0.124   1.261    15.300    0.119    0.043
LGA    D    57_B      D    57_B    12.581     0    0.046   1.110    14.628    0.000    0.000
LGA    L    58_B      L    58_B    15.521     0    0.069   1.151    21.747    0.000    0.000
LGA    V    59_B      V    59_B    10.572     0    0.052   0.209    12.072    0.238    1.020
LGA    R    60_B      R    60_B     8.670     0    0.091   1.535    14.124    1.071    1.429
LGA    E    61_B      E    61_B    14.795     0    0.171   1.334    19.661    0.000    0.000
LGA    L    62_B      L    62_B    16.097     0    0.086   0.207    18.643    0.000    0.000
LGA    L    63_B      L    63_B    14.692     0    0.555   0.829    16.471    0.000    0.000
LGA    P    64_B      P    64_B    17.328     0    0.630   0.711    18.394    0.000    0.000
LGA    A    65_B      A    65_B    22.080     0    0.265   0.282    23.704    0.000    0.000
LGA    K    66_B      K    66_B    20.627     0    0.088   1.451    28.469    0.000    0.000
LGA    A    67_B      A    67_B    17.490     0    0.609   0.600    19.183    0.000    0.000
LGA    E    68_B      E    68_B    19.440     0    0.467   0.948    26.480    0.000    0.000
LGA    I    69_B      I    69_B    15.313     0    0.068   1.270    17.744    0.000    0.000
LGA    I    70_B      I    70_B     9.938     0    0.055   0.064    12.035    1.429    2.262
LGA    D    71_B      D    71_B    12.399     0    0.027   1.459    16.927    0.000    0.000
LGA    A    72_B      A    72_B    12.182     0    0.083   0.081    13.735    0.476    0.381
LGA    L    73_B      L    73_B     6.502     0    0.064   0.855     8.799   26.190   21.726
LGA    R    74_B      R    74_B     6.205     0    0.095   1.333    14.867   18.214    6.926
LGA    E    75_B      E    75_B     7.504     0    0.122   0.755    13.946   18.690    8.360
LGA    E    76_B      E    76_B     3.918     0    0.101   1.011     7.327   53.095   30.741
LGA    A    77_B      A    77_B     2.572     0    0.060   0.072     5.917   51.548   51.238
LGA    E    78_B      E    78_B     6.508     0    0.068   0.706    12.494   19.762    9.365
LGA    K    79_B      K    79_B     3.103     0    0.042   0.693     8.478   39.167   39.365
LGA    Y    80_B      Y    80_B     7.179     0    0.083   1.367    16.425   10.714    4.206
LGA    F    81_B      F    81_B    11.522     0    0.083   1.278    14.585    0.357    0.130
LGA    A    82_B      A    82_B    11.291     0    0.122   0.145    13.481    0.000    0.286
LGA    E    83_B      E    83_B    12.629     0    0.214   1.288    17.269    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       81     324    324  100.00     640    640  100.00                81
SUMMARY(RMSD_GDC):    12.716         12.563                 13.711           22.695   20.115

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   83   81    4.0     21    1.88    27.778    25.109     1.063

LGA_LOCAL      RMSD:   1.875  Number of atoms:   21  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  15.076  Number of assigned atoms:   81 
Std_ASGN_ATOMS RMSD:  12.716  Standard rmsd on all 81 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.949987 * X  +   0.029319 * Y  +  -0.310911 * Z  +  97.748512
  Y_new =   0.291555 * X  +  -0.273465 * Y  +  -0.916631 * Z  + 113.847954
  Z_new =  -0.111898 * X  +  -0.961435 * Y  +   0.251240 * Z  +  44.099155 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.843814  0.112133 -1.315194   [DEG:  162.9385    6.4247  -75.3551 ]
ZXZ: -0.327011  1.316835 -3.025727   [DEG:  -18.7364   75.4491 -173.3614 ]
 
# END of job
