
#######################################################
#                                                     #
#                        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  101 (  798),  selected   87 , name one
# Molecule2: number of CA atoms   87 (  706),  selected   87 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    78      15_A - 92_A        4.73    15.61
  LCS_AVERAGE:     82.52

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    74      15_A - 88_A        1.95    16.08
  LCS_AVERAGE:     73.96

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    36      15_A - 50_A        0.84    16.31
  LCS_AVERAGE:     27.53

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   87
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    15_A     K    15_A     36   74   78      3    8   19   57   65   68   71   72   72   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     L    16_A     L    16_A     36   74   78     11   49   58   63   66   68   71   72   72   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     I    17_A     I    17_A     36   74   78     27   49   58   63   66   68   71   72   72   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     I    18_A     I    18_A     36   74   78     16   49   58   63   66   68   71   72   72   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     K    19_A     K    19_A     36   74   78     27   49   58   63   66   68   71   72   72   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     A    20_A     A    20_A     36   74   78     27   49   58   63   66   68   71   72   72   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     Q    21_A     Q    21_A     36   74   78     27   49   58   63   66   68   71   72   72   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     L    22_A     L    22_A     36   74   78     27   49   58   63   66   68   71   72   72   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     G    23_A     G    23_A     36   74   78     20   47   58   63   66   68   71   72   72   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     E    24_A     E    24_A     36   74   78     27   49   58   63   66   68   71   72   72   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     D    25_A     D    25_A     36   74   78     20   49   58   63   66   68   71   72   72   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     I    26_A     I    26_A     36   74   78     27   49   58   63   66   68   71   72   72   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     R    27_A     R    27_A     36   74   78     21   49   58   63   66   68   71   72   72   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     R    28_A     R    28_A     36   74   78     27   49   58   63   66   68   71   72   72   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     I    29_A     I    29_A     36   74   78     27   49   58   63   66   68   71   72   72   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     P    30_A     P    30_A     36   74   78      8   49   58   63   66   68   71   72   72   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     I    31_A     I    31_A     36   74   78     11   49   58   63   66   68   71   72   72   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     H    32_A     H    32_A     36   74   78     24   49   58   63   66   68   71   72   72   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     N    33_A     N    33_A     36   74   78     27   49   58   63   66   68   71   72   72   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     E    34_A     E    34_A     36   74   78      4   47   58   63   66   68   71   72   72   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     D    35_A     D    35_A     36   74   78     14   49   58   63   66   68   71   72   72   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     I    36_A     I    36_A     36   74   78     26   49   58   63   66   68   71   72   72   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     T    37_A     T    37_A     36   74   78     27   49   58   63   66   68   71   72   72   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     Y    38_A     Y    38_A     36   74   78     27   49   58   63   66   68   71   72   72   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     D    39_A     D    39_A     36   74   78     27   49   58   63   66   68   71   72   72   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     E    40_A     E    40_A     36   74   78     27   49   58   63   66   68   71   72   72   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     L    41_A     L    41_A     36   74   78     27   49   58   63   66   68   71   72   72   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     V    42_A     V    42_A     36   74   78     27   49   58   63   66   68   71   72   72   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     L    43_A     L    43_A     36   74   78     24   49   58   63   66   68   71   72   72   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     M    44_A     M    44_A     36   74   78     24   49   58   63   66   68   71   72   72   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     M    45_A     M    45_A     36   74   78     27   49   58   63   66   68   71   72   72   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     Q    46_A     Q    46_A     36   74   78     11   49   58   63   66   68   71   72   72   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     R    47_A     R    47_A     36   74   78     11   36   57   63   66   68   71   72   72   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     V    48_A     V    48_A     36   74   78     17   49   58   63   66   68   71   72   72   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     F    49_A     F    49_A     36   74   78     27   49   58   63   66   68   71   72   72   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     R    50_A     R    50_A     36   74   78      7   46   57   63   66   68   71   72   72   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     G    51_A     G    51_A      3   74   78      3   12   27   51   64   67   71   72   72   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     K    52_A     K    52_A      3   74   78      3    3   12   13   22   37   46   53   68   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     L    53_A     L    53_A      4   74   78      9   24   52   63   66   68   71   72   72   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     L    54_A     L    54_A      4   74   78      3    3    4   19   29   66   71   72   72   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     S    55_A     S    55_A      6   74   78      6   44   58   63   66   68   71   72   72   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     N    56_A     N    56_A      6   74   78      3    4    9   16   30   65   71   72   72   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     D    57_A     D    57_A      8   74   78      3   15   48   63   66   68   71   72   72   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     E    58_A     E    58_A     23   74   78      6   47   58   63   66   68   71   72   72   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     V    59_A     V    59_A     23   74   78      5   49   58   63   66   68   71   72   72   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     T    60_A     T    60_A     23   74   78     19   49   58   63   66   68   71   72   72   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     I    61_A     I    61_A     23   74   78     22   49   58   63   66   68   71   72   72   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     K    62_A     K    62_A     23   74   78     27   49   58   63   66   68   71   72   72   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     Y    63_A     Y    63_A     23   74   78     27   49   58   63   66   68   71   72   72   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     K    64_A     K    64_A     23   74   78     23   49   58   63   66   68   71   72   72   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     A    65_A     A    65_A     23   74   78     16   49   58   63   66   68   71   72   72   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     E    66_A     E    66_A     23   74   78      6   43   58   63   66   68   71   72   72   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     R    67_A     R    67_A     23   74   78      4   11   18   42   66   68   71   72   72   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     G    68_A     G    68_A     23   74   78      5   30   58   63   66   68   71   72   72   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     D    69_A     D    69_A     23   74   78     14   49   58   63   66   68   71   72   72   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     L    70_A     L    70_A     23   74   78     27   49   58   63   66   68   71   72   72   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     I    71_A     I    71_A     23   74   78     27   49   58   63   66   68   71   72   72   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     T    72_A     T    72_A     23   74   78     27   49   58   63   66   68   71   72   72   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     I    73_A     I    73_A     23   74   78     27   49   58   63   66   68   71   72   72   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     F    74_A     F    74_A     23   74   78     27   49   58   63   66   68   71   72   72   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     D    75_A     D    75_A     23   74   78     27   49   58   63   66   68   71   72   72   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     S    76_A     S    76_A     23   74   78     17   49   58   63   66   68   71   72   72   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     S    77_A     S    77_A     23   74   78      9   41   58   63   66   68   71   72   72   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     D    78_A     D    78_A     23   74   78     16   49   58   63   66   68   71   72   72   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     L    79_A     L    79_A     23   74   78     27   49   58   63   66   68   71   72   72   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     S    80_A     S    80_A     23   74   78      7   24   58   63   66   68   71   72   72   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     F    81_A     F    81_A     22   74   78      7   18   55   63   66   68   71   72   72   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     A    82_A     A    82_A     17   74   78     21   49   58   63   66   68   71   72   72   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     I    83_A     I    83_A     17   74   78      6   23   58   63   66   68   71   72   72   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     Q    84_A     Q    84_A     17   74   78      7   22   54   63   66   68   71   72   72   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     C    85_A     C    85_A     17   74   78      9   40   57   63   66   68   71   72   72   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     S    86_A     S    86_A     16   74   78      3    3   24   62   66   68   71   72   72   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     R    87_A     R    87_A     10   74   78      4    9   16   55   63   68   70   72   72   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     I    88_A     I    88_A     10   74   78      5    9   10   10   11   18   27   37   53   65   71   74   74   74   74   74   75   75   75   76 
LCS_GDT     L    89_A     L    89_A     10   11   78      5    9   10   10   10   10   10   12   13   15   18   26   34   47   61   70   75   75   75   76 
LCS_GDT     K    90_A     K    90_A     10   11   78      5    9   10   10   10   10   10   12   13   15   15   18   23   29   36   46   53   62   69   76 
LCS_GDT     L    91_A     L    91_A     10   11   78      5    9   10   10   10   10   10   12   13   15   15   17   18   20   21   22   24   25   27   29 
LCS_GDT     T    92_A     T    92_A     10   11   78      5    9   10   10   10   10   10   12   13   15   15   17   18   20   21   22   24   25   26   29 
LCS_GDT     L    93_A     L    93_A     10   11   18      5    9   10   10   10   10   10   12   13   15   15   17   18   20   21   22   24   25   26   29 
LCS_GDT     F    94_A     F    94_A     10   11   18      5    9   10   10   10   10   10   12   13   13   15   17   18   20   21   21   24   25   26   29 
LCS_GDT     V    95_A     V    95_A     10   11   18      5    9   10   10   10   10   10   12   13   13   15   17   18   20   21   21   23   25   26   27 
LCS_GDT     N    96_A     N    96_A     10   11   18      3    5   10   10   10   10   10   12   12   13   15   15   16   17   17   18   19   22   24   26 
LCS_GDT     G    97_A     G    97_A      4   11   18      4    4    5    5    5    9   10   12   13   15   15   17   18   20   21   22   24   25   26   29 
LCS_GDT     Q    98_A     Q    98_A      4    6   18      4    4    5    5    5    5    8   12   12   15   15   17   18   20   21   22   24   25   26   29 
LCS_GDT     P    99_A     P    99_A      4    6   18      4    4    5    5    5    5    6    7   10   13   13   14   18   19   21   22   24   25   26   29 
LCS_GDT     R   100_A     R   100_A      4    6   18      4    4    5    5    5    5    6    7    8    9   13   14   16   18   20   21   21   23   25   27 
LCS_GDT     P   101_A     P   101_A      3    5   18      2    3    5    5    5    5    5    6    6    8    8   13   15   19   20   22   24   25   26   27 
LCS_AVERAGE  LCS_A:  61.34  (  27.53   73.96   82.52 )

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     27     49     58     63     66     68     71     72     72     73     73     74     74     74     74     74     75     75     75     76 
GDT PERCENT_AT  31.03  56.32  66.67  72.41  75.86  78.16  81.61  82.76  82.76  83.91  83.91  85.06  85.06  85.06  85.06  85.06  86.21  86.21  86.21  87.36
GDT RMS_LOCAL    0.35   0.62   0.83   0.93   1.06   1.17   1.46   1.51   1.51   1.73   1.73   1.95   1.95   1.95   1.95   1.95   2.37   2.37   2.37   2.90
GDT RMS_ALL_AT  16.24  16.30  16.29  16.28  16.24  16.25  16.19  16.18  16.18  16.11  16.11  16.08  16.08  16.08  16.08  16.08  16.02  16.02  16.02  15.92

# Checking swapping
#   possible swapping detected:  D    25_A      D    25_A
#   possible swapping detected:  Y    63_A      Y    63_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    K    15_A      K    15_A     2.975     0    0.497   1.321    11.340   59.167   35.714
LGA    L    16_A      L    16_A     1.028     0    0.063   0.169     2.204   81.548   79.405
LGA    I    17_A      I    17_A     0.308     0    0.029   1.746     4.891  100.000   79.583
LGA    I    18_A      I    18_A     0.797     0    0.060   1.245     2.802   90.476   79.881
LGA    K    19_A      K    19_A     0.466     0    0.080   0.866     3.686   97.619   80.741
LGA    A    20_A      A    20_A     0.456     0    0.054   0.055     0.625   95.238   94.286
LGA    Q    21_A      Q    21_A     0.684     0    0.092   0.351     1.525   88.214   87.513
LGA    L    22_A      L    22_A     0.567     0    0.091   1.030     4.555   90.476   75.952
LGA    G    23_A      G    23_A     0.981     0    0.132   0.132     0.981   90.476   90.476
LGA    E    24_A      E    24_A     0.416     0    0.127   0.950     4.656   92.857   75.079
LGA    D    25_A      D    25_A     1.297     0    0.095   1.008     2.790   83.690   74.286
LGA    I    26_A      I    26_A     0.785     0    0.029   0.109     0.999   90.476   90.476
LGA    R    27_A      R    27_A     0.964     0    0.048   1.154     5.986   90.476   68.745
LGA    R    28_A      R    28_A     0.205     0    0.092   0.935     2.755  100.000   83.723
LGA    I    29_A      I    29_A     0.539     0    0.093   1.425     5.825   95.238   76.905
LGA    P    30_A      P    30_A     0.831     0    0.125   0.447     2.233   92.857   85.578
LGA    I    31_A      I    31_A     0.963     0    0.095   0.546     1.837   83.810   81.607
LGA    H    32_A      H    32_A     0.881     0    0.028   1.288     6.605   90.476   60.857
LGA    N    33_A      N    33_A     0.697     0    0.049   1.064     2.405   95.238   86.429
LGA    E    34_A      E    34_A     0.913     0    0.171   0.905     5.484   90.476   65.714
LGA    D    35_A      D    35_A     0.949     0    0.292   0.234     2.250   81.786   82.738
LGA    I    36_A      I    36_A     0.423     0    0.083   0.584     2.764   97.619   91.071
LGA    T    37_A      T    37_A     0.440     0    0.036   0.087     0.556   95.238   97.279
LGA    Y    38_A      Y    38_A     0.485     0    0.037   0.116     0.525   97.619   98.413
LGA    D    39_A      D    39_A     0.344     0    0.040   0.204     0.929  100.000   95.238
LGA    E    40_A      E    40_A     0.378     0    0.057   1.231     4.175   97.619   82.011
LGA    L    41_A      L    41_A     0.596     0    0.020   1.053     3.358   92.857   81.190
LGA    V    42_A      V    42_A     0.317     0    0.007   0.094     0.657   95.238   95.918
LGA    L    43_A      L    43_A     0.977     0    0.017   0.914     2.951   88.214   82.917
LGA    M    44_A      M    44_A     0.835     0    0.061   0.679     2.474   90.476   81.845
LGA    M    45_A      M    45_A     0.441     0    0.035   1.147     3.176   95.238   84.464
LGA    Q    46_A      Q    46_A     1.338     0    0.067   1.159     2.634   81.548   77.884
LGA    R    47_A      R    47_A     1.776     0    0.041   1.318     5.413   77.143   63.247
LGA    V    48_A      V    48_A     1.013     0    0.125   1.177     2.651   83.690   76.871
LGA    F    49_A      F    49_A     0.773     0    0.394   0.457     2.753   79.881   89.221
LGA    R    50_A      R    50_A     1.973     0    0.565   0.993    13.183   77.262   34.372
LGA    G    51_A      G    51_A     4.069     0    0.574   0.574     5.590   39.405   39.405
LGA    K    52_A      K    52_A     7.558     0    0.274   0.648    16.872   15.714    7.037
LGA    L    53_A      L    53_A     2.033     0    0.555   1.492     4.253   61.429   62.738
LGA    L    54_A      L    54_A     3.964     0    0.110   0.231    10.299   48.452   27.560
LGA    S    55_A      S    55_A     1.011     0    0.142   0.676     3.039   67.262   73.492
LGA    N    56_A      N    56_A     4.477     0    0.209   0.515     7.284   41.905   28.631
LGA    D    57_A      D    57_A     2.497     0    0.071   0.215     4.922   66.905   55.536
LGA    E    58_A      E    58_A     0.857     0    0.087   0.716     3.720   90.595   79.577
LGA    V    59_A      V    59_A     1.408     0    0.146   1.137     3.123   81.429   73.333
LGA    T    60_A      T    60_A     1.111     0    0.040   0.190     1.275   81.429   82.721
LGA    I    61_A      I    61_A     0.964     0    0.078   0.080     1.565   90.476   84.881
LGA    K    62_A      K    62_A     0.394     0    0.055   0.423     0.752   95.238   94.709
LGA    Y    63_A      Y    63_A     0.474     0    0.090   0.309     1.613  100.000   89.206
LGA    K    64_A      K    64_A     0.520     0    0.093   0.621     2.562   92.857   82.963
LGA    A    65_A      A    65_A     0.719     0    0.028   0.042     1.290   85.952   86.857
LGA    E    66_A      E    66_A     1.615     0    0.606   0.987     5.654   71.071   53.862
LGA    R    67_A      R    67_A     3.391     0    0.408   1.400    15.219   57.381   26.061
LGA    G    68_A      G    68_A     2.204     0    0.116   0.116     2.514   66.905   66.905
LGA    D    69_A      D    69_A     1.128     0    0.118   1.082     2.839   86.190   77.619
LGA    L    70_A      L    70_A     0.384     0    0.051   1.404     3.441   97.619   83.571
LGA    I    71_A      I    71_A     0.175     0    0.060   1.022     2.907   97.619   83.690
LGA    T    72_A      T    72_A     0.423     0    0.063   1.091     2.511   95.238   86.122
LGA    I    73_A      I    73_A     0.729     0    0.087   0.152     1.117   90.476   89.345
LGA    F    74_A      F    74_A     0.773     0    0.086   1.381     6.810   90.476   61.039
LGA    D    75_A      D    75_A     0.692     0    0.072   0.360     1.319   90.476   89.345
LGA    S    76_A      S    76_A     0.691     0    0.055   0.661     3.349   90.476   82.222
LGA    S    77_A      S    77_A     1.449     0    0.038   0.204     2.432   81.429   75.873
LGA    D    78_A      D    78_A     1.009     0    0.043   0.155     1.359   85.952   83.690
LGA    L    79_A      L    79_A     0.262     0    0.085   1.358     3.011   95.238   82.619
LGA    S    80_A      S    80_A     1.724     0    0.055   0.073     2.745   75.000   70.317
LGA    F    81_A      F    81_A     1.858     0    0.052   1.143     5.648   77.143   57.273
LGA    A    82_A      A    82_A     0.856     0    0.027   0.050     1.525   88.214   85.143
LGA    I    83_A      I    83_A     1.667     0    0.058   0.815     4.981   79.405   60.060
LGA    Q    84_A      Q    84_A     1.964     0    0.041   1.334     9.981   79.286   45.344
LGA    C    85_A      C    85_A     1.480     0    0.732   0.685     3.945   75.833   67.302
LGA    S    86_A      S    86_A     2.139     0    0.598   0.715     4.492   77.381   63.968
LGA    R    87_A      R    87_A     3.704     0    0.479   1.086    13.231   32.976   15.411
LGA    I    88_A      I    88_A     8.131     0    0.042   1.263    10.409   11.071    6.607
LGA    L    89_A      L    89_A    12.088     0    0.116   0.211    18.085    0.000    0.000
LGA    K    90_A      K    90_A    15.295     0    0.086   0.221    17.568    0.000    0.053
LGA    L    91_A      L    91_A    22.366     0    0.034   0.127    25.495    0.000    0.000
LGA    T    92_A      T    92_A    26.495     0    0.053   0.155    29.924    0.000    0.000
LGA    L    93_A      L    93_A    33.890     0    0.032   0.165    35.534    0.000    0.000
LGA    F    94_A      F    94_A    39.139     0    0.063   1.300    42.453    0.000    0.000
LGA    V    95_A      V    95_A    46.292     0    0.039   0.074    50.365    0.000    0.000
LGA    N    96_A      N    96_A    50.792     0    0.488   0.640    52.399    0.000    0.000
LGA    G    97_A      G    97_A    51.524     0    0.677   0.677    51.524    0.000    0.000
LGA    Q    98_A      Q    98_A    51.788     0    0.097   1.080    55.387    0.000    0.000
LGA    P    99_A      P    99_A    47.764     0    0.095   0.098    49.589    0.000    0.000
LGA    R   100_A      R   100_A    52.102     0    0.547   1.389    53.841    0.000    0.000
LGA    P   101_A      P   101_A    56.239     0    0.648   0.705    58.035    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       87     348    348  100.00     706    706  100.00                87
SUMMARY(RMSD_GDC):    13.857         13.873                 13.971           69.910   61.491

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  101   87    4.0     72    1.51    74.138    76.233     4.465

LGA_LOCAL      RMSD:   1.512  Number of atoms:   72  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  16.177  Number of assigned atoms:   87 
Std_ASGN_ATOMS RMSD:  13.857  Standard rmsd on all 87 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.643155 * X  +  -0.649199 * Y  +   0.406069 * Z  +  -2.912605
  Y_new =  -0.357860 * X  +   0.213996 * Y  +   0.908924 * Z  + -64.476395
  Z_new =  -0.676970 * X  +  -0.729894 * Y  +  -0.094690 * Z  +  92.696411 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.507754  0.743638 -1.699807   [DEG:  -29.0921   42.6073  -97.3918 ]
ZXZ:  2.721438  1.665629 -2.393796   [DEG:  155.9269   95.4335 -137.1544 ]
 
# END of job
