
#######################################################
#                                                     #
#                        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 (  823),  selected   97 , name one
# Molecule2: number of CA atoms   97 (  780),  selected   97 , 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:    38       9_A - 46_A        4.88    24.26
  LONGEST_CONTINUOUS_SEGMENT:    38      10_A - 47_A        4.90    24.73
  LCS_AVERAGE:     30.06

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    18      10_A - 27_A        1.96    24.17
  LONGEST_CONTINUOUS_SEGMENT:    18      11_A - 28_A        1.83    23.55
  LCS_AVERAGE:     11.54

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    15      11_A - 25_A        0.97    24.28
  LONGEST_CONTINUOUS_SEGMENT:    15      12_A - 26_A        0.92    23.94
  LCS_AVERAGE:      7.97

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   97
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     E     4_A     E     4_A      7   11   24      3    4    8   11   13   16   20   27   29   32   32   32   33   34   35   36   36   37   37   37 
LCS_GDT     I     5_A     I     5_A      8   11   24      3    5    8   11   13   16   21   27   29   32   32   32   33   34   35   36   36   37   37   37 
LCS_GDT     K     6_A     K     6_A      8   11   24      3    6    8   11   13   16   18   27   29   32   32   32   33   34   35   36   36   37   37   37 
LCS_GDT     G     7_A     G     7_A      8   11   24      3    5    8   11   14   16   23   27   29   32   32   32   33   34   35   36   36   37   37   38 
LCS_GDT     Y     8_A     Y     8_A      8   11   28      3    6    8   11   13   21   23   27   29   32   32   32   33   34   35   36   36   37   38   39 
LCS_GDT     E     9_A     E     9_A      8   16   38      2    6    9   12   17   21   24   27   29   32   32   32   33   34   35   36   36   37   38   40 
LCS_GDT     Y    10_A     Y    10_A      8   18   38      3    6    9   15   20   22   26   28   29   32   32   32   33   34   35   36   39   40   40   41 
LCS_GDT     Q    11_A     Q    11_A     15   18   38      3    9   16   21   24   25   26   28   29   32   32   32   33   35   36   38   40   40   41   42 
LCS_GDT     L    12_A     L    12_A     15   18   38      7   14   19   22   24   25   26   28   29   32   32   32   33   35   36   38   40   40   41   42 
LCS_GDT     Y    13_A     Y    13_A     15   18   38      7   14   19   22   24   25   26   28   29   32   32   32   33   35   36   38   40   40   41   42 
LCS_GDT     V    14_A     V    14_A     15   18   38      7   14   19   22   24   25   26   28   29   32   32   32   33   35   36   38   40   40   41   42 
LCS_GDT     Y    15_A     Y    15_A     15   18   38      9   14   19   22   24   25   26   28   29   32   32   32   33   35   36   38   40   40   41   42 
LCS_GDT     A    16_A     A    16_A     15   18   38      9   14   19   22   24   25   26   28   29   32   32   32   33   35   36   38   40   40   41   42 
LCS_GDT     S    17_A     S    17_A     15   18   38      3   13   19   22   24   25   26   28   29   32   32   32   33   35   36   38   40   40   41   42 
LCS_GDT     D    18_A     D    18_A     15   18   38      3   13   19   22   24   25   26   28   29   32   32   32   33   35   36   38   40   40   41   42 
LCS_GDT     K    19_A     K    19_A     15   18   38      9   14   19   22   24   25   26   28   29   32   32   32   33   35   36   38   40   40   41   42 
LCS_GDT     L    20_A     L    20_A     15   18   38      9   14   19   22   24   25   26   28   29   32   32   32   33   35   36   38   40   40   41   42 
LCS_GDT     F    21_A     F    21_A     15   18   38      9   14   19   22   24   25   26   28   29   32   32   32   33   35   36   38   40   40   41   42 
LCS_GDT     R    22_A     R    22_A     15   18   38      9   14   19   22   24   25   26   28   29   32   32   32   33   35   36   38   40   40   41   42 
LCS_GDT     A    23_A     A    23_A     15   18   38      9   14   19   22   24   25   26   28   29   32   32   32   33   35   36   38   40   40   41   42 
LCS_GDT     D    24_A     D    24_A     15   18   38      9   14   19   22   24   25   26   28   29   32   32   32   33   35   36   38   40   40   41   42 
LCS_GDT     I    25_A     I    25_A     15   18   38      9   14   19   22   24   25   26   28   29   30   31   32   33   35   36   38   40   40   41   42 
LCS_GDT     S    26_A     S    26_A     15   18   38      3    9   13   16   21   23   26   27   29   30   30   31   33   35   36   38   40   40   41   42 
LCS_GDT     E    27_A     E    27_A      6   18   38      5    7   13   15   18   22   26   27   29   30   30   31   33   35   36   38   40   40   41   42 
LCS_GDT     D    28_A     D    28_A      6   18   38      5    5    6   10   15   17   20   21   26   27   30   31   32   35   36   38   40   40   41   42 
LCS_GDT     Y    29_A     Y    29_A      6    9   38      5    5    6    7   10   16   18   21   23   25   28   31   32   35   36   38   40   40   41   42 
LCS_GDT     K    30_A     K    30_A      6    9   38      5    5    6    7   10   11   13   19   22   23   24   26   27   31   32   34   35   40   40   42 
LCS_GDT     T    31_A     T    31_A      6    9   38      5    5    6    7    9   17   19   21   23   27   29   30   32   35   36   38   40   40   41   42 
LCS_GDT     R    32_A     R    32_A      4   10   38      3    4    5   10   12   12   20   21   26   27   30   31   32   35   36   38   40   40   41   42 
LCS_GDT     G    33_A     G    33_A      4   10   38      3    4    5    6   17   22   26   27   29   30   30   31   32   35   36   38   40   40   41   42 
LCS_GDT     R    34_A     R    34_A      5   10   38      3    4    4    8   18   23   26   27   29   30   30   31   33   35   36   38   40   40   41   42 
LCS_GDT     K    35_A     K    35_A      5   10   38      3   13   19   22   24   25   26   28   29   30   31   32   33   35   36   38   40   40   41   42 
LCS_GDT     L    36_A     L    36_A      5   10   38      3    4   19   22   24   25   26   28   29   30   31   32   33   35   36   38   40   40   41   42 
LCS_GDT     L    37_A     L    37_A      5   10   38      3    4    5    7   10   15   24   28   29   30   31   32   33   34   35   38   40   40   41   42 
LCS_GDT     R    38_A     R    38_A      5   10   38      3    5   16   22   24   25   26   28   29   32   32   32   33   35   36   38   40   40   41   42 
LCS_GDT     F    39_A     F    39_A      4   10   38      6   14   19   22   24   25   26   28   29   32   32   32   33   35   36   38   40   40   41   42 
LCS_GDT     N    40_A     N    40_A      4   10   38      3    7   17   22   24   25   26   28   29   32   32   32   33   35   36   38   40   40   41   42 
LCS_GDT     G    41_A     G    41_A      4   10   38      0    4   18   22   24   25   26   28   29   32   32   32   33   35   36   38   40   40   41   42 
LCS_GDT     P    42_A     P    42_A      5   10   38      2   13   19   22   24   25   26   28   29   32   32   32   33   35   36   38   40   40   41   42 
LCS_GDT     V    43_A     V    43_A      5   10   38      4   14   19   22   24   25   26   28   29   32   32   32   33   35   36   38   40   40   41   42 
LCS_GDT     P    44_A     P    44_A      5   10   38      4    7   14   21   24   25   26   28   29   32   32   32   33   35   36   38   40   40   41   42 
LCS_GDT     P    45_A     P    45_A      5    9   38      4    6    9   13   18   25   26   28   29   32   32   32   33   35   36   38   40   40   41   42 
LCS_GDT     P    46_A     P    46_A      5    9   38      4    6    7   12   16   21   25   28   29   32   32   32   33   34   36   38   40   40   41   42 
LCS_GDT     G    47_A     G    47_A      5    9   38      3    5    6    9   14   19   24   27   29   32   32   32   33   34   35   37   40   40   41   42 
LCS_GDT     G    48_A     G    48_A      3    6   37      3    3    4    5    6   12   15   17   29   32   32   32   33   34   35   36   36   39   40   41 
LCS_GDT     S    49_A     S    49_A      3   11   28      3    4    4    6    8    9   12   12   14   16   20   22   23   31   32   34   35   36   38   38 
LCS_GDT     G    50_A     G    50_A      8   11   28      4    7    9   10   11   12   13   20   20   21   23   24   26   27   29   31   33   35   36   38 
LCS_GDT     G    51_A     G    51_A      8   11   28      3    7    9   10   11   12   16   20   20   21   23   24   26   27   29   31   33   35   36   38 
LCS_GDT     G    52_A     G    52_A      8   11   28      3    7    9   10   11   12   17   20   20   21   23   24   26   27   29   31   33   35   36   38 
LCS_GDT     E    53_A     E    53_A      8   11   28      4    7    9   10   11   13   17   20   20   21   23   24   26   27   29   31   33   35   36   38 
LCS_GDT     W    54_A     W    54_A      8   11   28      4    7    9   10   11   13   17   20   20   21   23   24   26   27   29   31   33   35   36   38 
LCS_GDT     E    55_A     E    55_A      8   11   28      3    5    9   10   11   14   17   20   20   21   23   24   26   27   29   31   33   35   36   38 
LCS_GDT     I    56_A     I    56_A      8   11   28      3    7    9   10   11   14   17   20   20   21   23   24   26   27   27   29   32   35   36   38 
LCS_GDT     I    57_A     I    57_A      8   11   28      4    7    9   10   11   14   17   20   20   21   23   24   26   27   27   28   28   31   33   35 
LCS_GDT     D    58_A     D    58_A      6   11   28      3    5    8   10   11   14   17   20   20   21   23   24   26   27   27   28   28   29   30   33 
LCS_GDT     I    59_A     I    59_A      6   11   28      3    7    9   10   11   12   12   20   20   20   23   24   26   27   27   28   28   29   30   32 
LCS_GDT     G    60_A     G    60_A      4   11   28      3    4    6    8   10   14   17   20   20   21   23   24   26   27   27   28   28   29   30   32 
LCS_GDT     P    61_A     P    61_A      7   11   28      3    4    7    8   10   14   17   20   20   21   23   24   26   27   27   28   28   29   30   32 
LCS_GDT     F    62_A     F    62_A      7   11   28      5    6    7    8   10   14   17   20   20   21   23   24   26   27   27   28   28   29   30   32 
LCS_GDT     T    63_A     T    63_A      7   11   28      5    6    7    8   10   14   17   20   20   21   23   24   26   27   27   28   28   29   30   32 
LCS_GDT     Q    64_A     Q    64_A      7   11   28      3    6    7    8    9   14   17   20   20   21   23   24   26   27   27   28   28   29   30   32 
LCS_GDT     N    65_A     N    65_A      7   11   28      5    6    7    8   10   14   17   20   20   21   23   24   26   27   27   28   28   29   30   32 
LCS_GDT     L    66_A     L    66_A      7   11   28      5    6    7    8   10   14   17   20   20   21   23   24   26   27   27   28   28   29   30   32 
LCS_GDT     G    67_A     G    67_A      7   11   28      5    6    7    8   10   14   17   20   20   21   23   24   26   27   27   28   28   29   30   32 
LCS_GDT     K    68_A     K    68_A      4   10   28      3    3    5    8    8   14   17   20   20   21   23   24   26   27   27   28   28   29   30   32 
LCS_GDT     F    69_A     F    69_A      4   10   28      3    3    5    8   10   14   17   20   20   21   23   24   26   27   27   28   28   29   30   32 
LCS_GDT     A    70_A     A    70_A      3    3   28      3    3    4    4    5    5    9   13   15   17   20   24   26   27   27   28   28   29   30   33 
LCS_GDT     V    71_A     V    71_A      3    5   28      3    3    4    4    5    5    8   11   18   21   23   24   26   27   27   28   28   29   30   33 
LCS_GDT     D    72_A     D    72_A      4    5   28      4    4    4    4    5    5    7    9   11   13   23   24   26   27   27   28   28   29   30   33 
LCS_GDT     E    73_A     E    73_A      4    5   28      4    4    4    4    4    5    7    8    9    9   11   15   26   27   27   27   28   29   30   34 
LCS_GDT     E    74_A     E    74_A      4    5   28      4    4    4    4    4    5    5    6    7   13   14   17   23   27   27   28   29   33   33   34 
LCS_GDT     N    75_A     N    75_A      4    5   28      4    6    9    9   11   12   12   12   14   18   23   24   26   27   27   28   28   29   30   33 
LCS_GDT     K    76_A     K    76_A      4    5   28      3    4    9   10   11   12   12   12   18   21   23   24   26   27   27   28   28   29   30   32 
LCS_GDT     I    77_A     I    77_A      4    5   28      3    4    4    4    5    7    8   11   12   15   19   22   24   25   27   28   28   29   30   32 
LCS_GDT     G    78_A     G    78_A      4    5   14      3    4    4    4    5    6    8   10   11   14   15   18   20   23   24   26   28   29   30   32 
LCS_GDT     Q    79_A     Q    79_A      4    7   14      3    4    4    5    7    7    9    9   10   11   13   17   18   19   20   20   22   24   28   28 
LCS_GDT     Y    80_A     Y    80_A      3    7   14      3    3    4    5    7    7    9   10   11   13   15   17   18   19   20   20   22   26   28   28 
LCS_GDT     G    81_A     G    81_A      5    7   14      3    4    5    6    7    7    9   10   11   13   15   17   18   19   20   20   22   26   28   28 
LCS_GDT     R    82_A     R    82_A      5    7   14      3    4    5    6    7    7    9   10   11   13   15   17   18   19   20   20   22   26   28   31 
LCS_GDT     L    83_A     L    83_A      5    7   14      3    4    5    6    7    7    9   10   11   13   15   17   18   19   20   20   22   26   29   31 
LCS_GDT     T    84_A     T    84_A      5    7   17      3    4    5    6    7    7    9   10   11   13   15   17   18   19   20   21   24   28   29   31 
LCS_GDT     F    85_A     F    85_A      5    7   17      3    4    5    6    7    8   10   11   15   17   17   18   19   20   21   22   26   28   30   31 
LCS_GDT     N    86_A     N    86_A      5    6   17      3    5    5    6    7    7   10   11   15   17   17   18   19   21   26   29   31   34   35   37 
LCS_GDT     K    87_A     K    87_A      5    6   17      4    5    5    6    7    8   12   13   13   14   16   18   23   25   29   31   33   35   36   38 
LCS_GDT     V    88_A     V    88_A      5    6   17      4    5    5    6    7    9   11   11   13   17   17   20   23   25   29   31   33   35   36   38 
LCS_GDT     I    89_A     I    89_A      5   12   17      4    5    5    8   11   12   12   13   16   17   19   20   23   25   29   31   33   35   36   38 
LCS_GDT     R    90_A     R    90_A     11   12   17      4    8   11   11   12   12   12   13   16   17   19   20   20   25   29   30   33   34   36   38 
LCS_GDT     P    91_A     P    91_A     11   12   17      3    8   11   11   12   12   12   13   16   17   19   20   20   22   23   30   31   33   35   38 
LCS_GDT     C    92_A     C    92_A     11   12   17      3    8   11   11   12   12   12   13   16   17   19   20   20   21   23   26   26   29   31   34 
LCS_GDT     M    93_A     M    93_A     11   12   17      3    8   11   11   12   12   12   13   16   17   19   27   30   33   34   34   37   38   39   40 
LCS_GDT     K    94_A     K    94_A     11   12   17      3    8   11   11   12   12   12   13   16   17   22   29   31   33   34   34   37   38   40   40 
LCS_GDT     K    95_A     K    95_A     11   12   17      4    8   11   11   12   12   12   13   18   28   30   30   32   35   35   38   39   40   41   42 
LCS_GDT     T    96_A     T    96_A     11   12   17      4    8   11   11   12   12   12   13   16   17   19   20   26   34   36   38   40   40   41   42 
LCS_GDT     I    97_A     I    97_A     11   12   17      4    8   11   11   12   12   12   13   16   17   28   31   32   35   36   38   40   40   41   42 
LCS_GDT     Y    98_A     Y    98_A     11   12   17      4    7   11   11   12   12   12   13   16   17   19   20   20   21   23   37   40   40   41   42 
LCS_GDT     E    99_A     E    99_A     11   12   17      3    5   11   11   12   12   12   13   16   17   19   20   20   21   33   33   40   40   41   42 
LCS_GDT     N   100_A     N   100_A     11   12   17      3    4   11   11   12   12   12   13   16   17   19   20   20   28   31   34   35   40   40   41 
LCS_AVERAGE  LCS_A:  16.52  (   7.97   11.54   30.06 )

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      9     14     19     22     24     25     26     28     29     32     32     32     33     35     36     38     40     40     41     42 
GDT PERCENT_AT   9.28  14.43  19.59  22.68  24.74  25.77  26.80  28.87  29.90  32.99  32.99  32.99  34.02  36.08  37.11  39.18  41.24  41.24  42.27  43.30
GDT RMS_LOCAL    0.30   0.61   0.91   1.08   1.33   1.62   1.79   2.17   2.46   3.28   3.28   3.28   3.36   3.99   4.24   4.42   5.02   4.83   7.14   5.32
GDT RMS_ALL_AT  24.07  24.14  24.26  24.27  24.51  24.70  24.84  24.98  25.22  26.83  26.83  26.83  25.95  24.26  24.56  24.37  24.92  24.53  24.92  24.81

# Checking swapping
#   possible swapping detected:  E     9_A      E     9_A
#   possible swapping detected:  E    27_A      E    27_A
#   possible swapping detected:  D    28_A      D    28_A
#   possible swapping detected:  F    39_A      F    39_A
#   possible swapping detected:  E    53_A      E    53_A
#   possible swapping detected:  D    58_A      D    58_A
#   possible swapping detected:  F    62_A      F    62_A
#   possible swapping detected:  F    69_A      F    69_A
#   possible swapping detected:  E    73_A      E    73_A
#   possible swapping detected:  E    99_A      E    99_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     4_A      E     4_A    16.154     4    0.194   0.242    17.707    0.000    0.000
LGA    I     5_A      I     5_A    14.795     0    0.078   0.136    15.126    0.000    0.000
LGA    K     6_A      K     6_A    15.439     0    0.202   0.947    22.191    0.000    0.000
LGA    G     7_A      G     7_A    12.006     0    0.226   0.226    13.064    0.000    0.000
LGA    Y     8_A      Y     8_A     8.844     0    0.145   0.204    10.733    3.095    2.143
LGA    E     9_A      E     9_A     6.474     0    0.190   0.750     7.674   19.881   14.497
LGA    Y    10_A      Y    10_A     3.690     0    0.163   0.232     6.538   43.690   34.563
LGA    Q    11_A      Q    11_A     1.810     0    0.045   1.127     3.800   75.119   64.444
LGA    L    12_A      L    12_A     1.932     0    0.050   0.884     3.390   75.000   66.131
LGA    Y    13_A      Y    13_A     2.544     0    0.132   0.246     3.385   57.262   58.492
LGA    V    14_A      V    14_A     2.167     0    0.027   0.991     2.996   70.952   66.122
LGA    Y    15_A      Y    15_A     1.477     0    0.051   0.078     3.806   77.143   63.373
LGA    A    16_A      A    16_A     1.182     0    0.104   0.109     1.810   88.214   85.143
LGA    S    17_A      S    17_A     0.920     0    0.604   0.742     4.017   76.667   69.444
LGA    D    18_A      D    18_A     0.911     0    0.067   0.932     4.657   83.810   66.905
LGA    K    19_A      K    19_A     1.338     0    0.064   0.751     3.353   83.690   73.333
LGA    L    20_A      L    20_A     1.695     0    0.039   0.061     2.965   75.000   68.929
LGA    F    21_A      F    21_A     0.761     0    0.080   0.198     1.203   85.952   88.052
LGA    R    22_A      R    22_A     0.934     0    0.017   0.301     3.069   88.214   75.844
LGA    A    23_A      A    23_A     0.330     0    0.031   0.039     0.695   95.238   96.190
LGA    D    24_A      D    24_A     0.849     0    0.052   0.164     1.150   85.952   88.214
LGA    I    25_A      I    25_A     2.054     0    0.119   0.135     3.888   57.738   56.607
LGA    S    26_A      S    26_A     5.646     0    0.082   0.586     8.134   21.310   17.857
LGA    E    27_A      E    27_A     8.769     0    0.087   0.583    11.743    3.214    1.693
LGA    D    28_A      D    28_A    13.586     0    0.114   0.707    17.452    0.000    0.000
LGA    Y    29_A      Y    29_A    17.856     0    0.037   1.352    29.595    0.000    0.000
LGA    K    30_A      K    30_A    21.581     0    0.108   0.682    27.122    0.000    0.000
LGA    T    31_A      T    31_A    17.471     0    0.115   0.122    18.438    0.000    0.000
LGA    R    32_A      R    32_A    16.535     0    0.152   1.107    29.480    0.000    0.000
LGA    G    33_A      G    33_A     9.804     0    0.617   0.617    12.219    3.095    3.095
LGA    R    34_A      R    34_A     7.471     0    0.054   0.792    19.989   15.595    5.801
LGA    K    35_A      K    35_A     1.917     0    0.020   0.772     9.065   49.643   40.847
LGA    L    36_A      L    36_A     2.559     0    0.107   1.402     8.155   71.190   46.429
LGA    L    37_A      L    37_A     4.376     0    0.605   0.474     9.822   40.476   24.107
LGA    R    38_A      R    38_A     1.457     0    0.116   0.976     7.425   79.524   50.087
LGA    F    39_A      F    39_A     1.189     0    0.043   1.288     3.122   79.405   74.978
LGA    N    40_A      N    40_A     2.468     0    0.383   0.403     5.073   64.881   52.143
LGA    G    41_A      G    41_A     1.293     0    0.032   0.032     4.430   64.048   64.048
LGA    P    42_A      P    42_A     1.472     0    0.086   0.410     2.166   75.000   72.993
LGA    V    43_A      V    43_A     1.905     0    0.142   1.135     4.897   84.048   71.088
LGA    P    44_A      P    44_A     1.176     0    0.029   0.217     1.777   81.786   82.993
LGA    P    45_A      P    45_A     3.469     0    0.030   0.079     4.274   48.452   45.442
LGA    P    46_A      P    46_A     4.885     0    0.125   0.146     6.717   24.405   21.905
LGA    G    47_A      G    47_A     7.366     0    0.698   0.698     7.774   11.429   11.429
LGA    G    48_A      G    48_A    10.062     0    0.543   0.543    12.052    0.714    0.714
LGA    S    49_A      S    49_A    16.762     0    0.290   0.804    19.684    0.000    0.000
LGA    G    50_A      G    50_A    21.113     0    0.272   0.272    22.092    0.000    0.000
LGA    G    51_A      G    51_A    25.607     0    0.299   0.299    28.043    0.000    0.000
LGA    G    52_A      G    52_A    27.009     0    0.150   0.150    27.285    0.000    0.000
LGA    E    53_A      E    53_A    29.456     0    0.033   0.815    37.017    0.000    0.000
LGA    W    54_A      W    54_A    25.950     0    0.143   0.206    28.905    0.000    0.000
LGA    E    55_A      E    55_A    28.432     0    0.108   1.052    33.203    0.000    0.000
LGA    I    56_A      I    56_A    27.621     0    0.078   0.646    31.988    0.000    0.000
LGA    I    57_A      I    57_A    31.570     0    0.171   1.112    33.226    0.000    0.000
LGA    D    58_A      D    58_A    34.171     0    0.208   1.179    36.782    0.000    0.000
LGA    I    59_A      I    59_A    33.742     0    0.183   0.197    36.356    0.000    0.000
LGA    G    60_A      G    60_A    39.797     0    0.086   0.086    40.151    0.000    0.000
LGA    P    61_A      P    61_A    43.318     0    0.169   0.418    46.814    0.000    0.000
LGA    F    62_A      F    62_A    41.392     0    0.127   1.412    42.959    0.000    0.000
LGA    T    63_A      T    63_A    35.000     0    0.082   1.051    37.200    0.000    0.000
LGA    Q    64_A      Q    64_A    38.620     0    0.045   0.830    40.900    0.000    0.000
LGA    N    65_A      N    65_A    41.347     0    0.048   0.114    47.182    0.000    0.000
LGA    L    66_A      L    66_A    35.260     0    0.202   0.308    37.302    0.000    0.000
LGA    G    67_A      G    67_A    33.871     0    0.179   0.179    35.071    0.000    0.000
LGA    K    68_A      K    68_A    37.798     0    0.535   1.273    47.356    0.000    0.000
LGA    F    69_A      F    69_A    36.568     0    0.602   1.527    36.591    0.000    0.000
LGA    A    70_A      A    70_A    35.231     0    0.621   0.588    35.783    0.000    0.000
LGA    V    71_A      V    71_A    35.155     0    0.639   0.633    38.359    0.000    0.000
LGA    D    72_A      D    72_A    39.996     0    0.564   1.302    41.831    0.000    0.000
LGA    E    73_A      E    73_A    37.907     0    0.111   0.776    41.960    0.000    0.000
LGA    E    74_A      E    74_A    36.018     0    0.189   1.187    39.051    0.000    0.000
LGA    N    75_A      N    75_A    37.125     0    0.220   0.470    38.340    0.000    0.000
LGA    K    76_A      K    76_A    40.066     0    0.634   0.510    42.096    0.000    0.000
LGA    I    77_A      I    77_A    38.771     0    0.603   0.614    41.333    0.000    0.000
LGA    G    78_A      G    78_A    43.358     0    0.584   0.584    43.358    0.000    0.000
LGA    Q    79_A      Q    79_A    40.976     0    0.468   0.712    42.402    0.000    0.000
LGA    Y    80_A      Y    80_A    40.973     0    0.411   0.289    41.401    0.000    0.000
LGA    G    81_A      G    81_A    43.906     0    0.360   0.360    43.906    0.000    0.000
LGA    R    82_A      R    82_A    44.740     0    0.078   1.070    51.313    0.000    0.000
LGA    L    83_A      L    83_A    39.954     0    0.231   0.322    41.399    0.000    0.000
LGA    T    84_A      T    84_A    43.370     0    0.170   0.561    47.290    0.000    0.000
LGA    F    85_A      F    85_A    40.024     0    0.135   1.356    42.832    0.000    0.000
LGA    N    86_A      N    86_A    41.871     0    0.307   1.130    44.155    0.000    0.000
LGA    K    87_A      K    87_A    38.130     0    0.096   0.868    38.773    0.000    0.000
LGA    V    88_A      V    88_A    34.756     0    0.127   0.164    37.322    0.000    0.000
LGA    I    89_A      I    89_A    29.262     0    0.181   1.280    31.080    0.000    0.000
LGA    R    90_A      R    90_A    25.940     0    0.163   0.984    37.780    0.000    0.000
LGA    P    91_A      P    91_A    20.188     0    0.059   0.104    21.556    0.000    0.000
LGA    C    92_A      C    92_A    18.975     0    0.073   0.697    20.542    0.000    0.000
LGA    M    93_A      M    93_A    13.413     0    0.060   0.250    15.530    0.000    0.000
LGA    K    94_A      K    94_A    11.645     0    0.042   0.104    15.084    0.119    0.053
LGA    K    95_A      K    95_A     9.325     0    0.119   0.673    14.527    1.071    0.688
LGA    T    96_A      T    96_A    10.771     0    0.063   0.089    13.058    0.000    0.000
LGA    I    97_A      I    97_A    12.440     0    0.025   0.392    14.076    0.000    0.000
LGA    Y    98_A      Y    98_A    16.890     0    0.166   0.193    18.890    0.000    0.000
LGA    E    99_A      E    99_A    18.685     0    0.042   0.959    20.448    0.000    0.000
LGA    N   100_A      N   100_A    24.271     0    0.299   0.536    25.543    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       97     388    388  100.00     780    780  100.00                97
SUMMARY(RMSD_GDC):    16.791         16.770                 17.274           21.258   18.833

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  101   97    4.0     28    2.17    26.289    23.269     1.233

LGA_LOCAL      RMSD:   2.171  Number of atoms:   28  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  24.977  Number of assigned atoms:   97 
Std_ASGN_ATOMS RMSD:  16.791  Standard rmsd on all 97 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.456865 * X  +   0.854618 * Y  +   0.246783 * Z  +  23.728292
  Y_new =   0.871365 * X  +   0.485754 * Y  +  -0.069043 * Z  +  13.967534
  Z_new =  -0.178881 * X  +   0.183495 * Y  +  -0.966608 * Z  +  52.459438 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.053702  0.179849  2.953991   [DEG:  117.6685   10.3046  169.2512 ]
ZXZ:  1.298001  2.882442 -0.772666   [DEG:   74.3700  165.1518  -44.2705 ]
 
# END of job
