
#######################################################
#                                                     #
#                        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   96 (  742),  selected   96 , name one
# Molecule2: number of CA atoms  151 ( 1194),  selected   96 , 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:    35      46_A - 80_A        4.55    17.29
  LCS_AVERAGE:     21.76

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    23      90_A - 112_A       1.88    16.16
  LCS_AVERAGE:     11.35

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    19      57_A - 75_A        0.89    15.74
  LONGEST_CONTINUOUS_SEGMENT:    19     123_A - 141_A       0.89    21.41
  LCS_AVERAGE:      8.74

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   96
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     A    46_A     A    46_A      5    6   35      5    5    5    5   18   25   26   28   33   36   37   40   41   44   47   49   51   53   55   58 
LCS_GDT     I    47_A     I    47_A      5    6   35      5    5    5    6    9   14   18   21   25   29   31   34   38   41   45   46   51   53   55   58 
LCS_GDT     I    48_A     I    48_A      5    6   35      5    5    5    5    6    7    8   10   12   15   21   28   31   41   45   46   48   53   55   58 
LCS_GDT     E    49_A     E    49_A      5    6   35      5    6   11   17   21   25   26   28   33   36   37   40   41   44   47   49   51   53   55   58 
LCS_GDT     G    50_A     G    50_A      5    6   35      5    5    5    7   10   16   22   28   28   30   32   36   40   42   45   48   51   53   55   58 
LCS_GDT     N    51_A     N    51_A      4    6   35      3    4    4    5    9   14   18   28   32   34   37   40   41   43   47   49   51   53   55   58 
LCS_GDT     P    52_A     P    52_A      4    6   35      3    5   12   17   21   25   26   28   33   36   37   40   41   44   47   49   51   53   55   58 
LCS_GDT     E    53_A     E    53_A      4    6   35      3    4    4    5    8   22   26   28   33   36   37   40   41   44   47   49   51   53   55   58 
LCS_GDT     R    54_A     R    54_A      4    6   35      3    3    4    6   19   25   26   28   33   36   37   40   41   44   47   49   51   53   55   58 
LCS_GDT     R    55_A     R    55_A      3    5   35      3    3    4   10   12   14   15   16   20   33   37   40   41   44   47   49   51   53   55   58 
LCS_GDT     D    56_A     D    56_A      3   22   35      3    4    6   13   20   25   26   28   33   36   37   40   41   44   47   49   51   53   55   58 
LCS_GDT     E    57_A     E    57_A     19   22   35      3    4   11   19   21   25   26   28   33   36   37   40   41   44   47   49   51   53   55   58 
LCS_GDT     I    58_A     I    58_A     19   22   35      3    4   10   19   21   25   26   28   33   36   37   40   41   44   47   49   51   53   55   58 
LCS_GDT     K    59_A     K    59_A     19   22   35      3   17   17   19   21   25   26   28   33   36   37   40   41   44   47   49   51   53   55   58 
LCS_GDT     A    60_A     A    60_A     19   22   35     13   17   17   19   21   25   26   28   33   36   37   40   41   44   47   49   51   53   55   58 
LCS_GDT     D    61_A     D    61_A     19   22   35     14   17   17   19   21   25   26   28   33   36   37   40   41   44   47   49   51   53   55   58 
LCS_GDT     L    62_A     L    62_A     19   22   35     14   17   17   19   21   25   26   28   33   36   37   40   41   44   47   49   51   53   55   58 
LCS_GDT     A    63_A     A    63_A     19   22   35     14   17   17   19   21   25   26   28   33   36   37   40   41   44   47   49   51   53   55   58 
LCS_GDT     R    64_A     R    64_A     19   22   35     14   17   17   19   21   25   26   28   33   36   37   40   41   44   47   49   51   53   55   58 
LCS_GDT     A    65_A     A    65_A     19   22   35     14   17   17   19   21   25   26   28   33   36   37   40   41   44   47   49   51   53   55   58 
LCS_GDT     A    66_A     A    66_A     19   22   35     14   17   17   19   21   25   26   28   33   36   37   40   41   44   47   49   51   53   55   58 
LCS_GDT     R    67_A     R    67_A     19   22   35     14   17   17   19   21   25   26   28   33   36   37   40   41   44   47   49   51   53   55   58 
LCS_GDT     V    68_A     V    68_A     19   22   35     14   17   17   19   21   25   26   28   33   36   37   40   41   44   47   49   51   53   55   58 
LCS_GDT     F    69_A     F    69_A     19   22   35     14   17   17   19   21   25   26   28   33   36   37   40   41   44   47   49   51   53   55   58 
LCS_GDT     G    70_A     G    70_A     19   22   35     14   17   17   19   21   25   26   28   33   36   37   40   41   44   47   49   51   53   55   58 
LCS_GDT     E    71_A     E    71_A     19   22   35     14   17   17   19   21   25   26   28   33   36   37   40   41   44   47   49   51   53   55   58 
LCS_GDT     A    72_A     A    72_A     19   22   35     14   17   17   19   21   25   26   28   33   36   37   40   41   44   47   49   51   53   55   58 
LCS_GDT     L    73_A     L    73_A     19   22   35     14   17   17   19   21   25   26   28   32   36   37   40   41   44   47   49   51   53   55   58 
LCS_GDT     E    74_A     E    74_A     19   22   35     14   17   17   19   21   25   26   28   33   36   37   40   41   44   47   49   51   53   55   58 
LCS_GDT     R    75_A     R    75_A     19   22   35      3   17   17   19   21   25   26   28   33   36   37   40   41   44   47   49   51   53   55   58 
LCS_GDT     D    76_A     D    76_A     18   22   35      3    3    3   10   16   25   26   28   32   36   37   40   41   43   46   49   51   53   55   58 
LCS_GDT     I    77_A     I    77_A      3   22   35      3    4    4    6   12   16   21   28   33   36   37   40   41   44   47   49   51   53   55   58 
LCS_GDT     T    78_A     T    78_A      3    5   35      3    3    4    4    5    7   11   15   19   24   28   37   40   42   45   48   51   53   55   58 
LCS_GDT     T    79_A     T    79_A      5    5   35      4    4    5    5    6    7    9   13   18   23   28   30   38   42   44   48   51   53   55   58 
LCS_GDT     P    80_A     P    80_A      5    5   35      4    4    5    5    5    7    8   12   16   19   24   30   32   39   43   48   51   53   55   58 
LCS_GDT     E    81_A     E    81_A      5    5   33      4    4    5    5    6    9   11   14   17   20   25   27   30   31   37   40   45   51   55   58 
LCS_GDT     D    82_A     D    82_A      5    5   31      4    4    5    5    6    9   11   14   17   20   25   30   32   41   43   48   51   53   55   58 
LCS_GDT     F    83_A     F    83_A      5    5   24      3    3    5    5    7    8   10   10   12   14   16   17   20   21   27   31   33   37   41   54 
LCS_GDT     N    84_A     N    84_A      4    8   26      4    4    6    8    8    8   10   10   12   24   24   27   29   30   32   37   49   54   54   55 
LCS_GDT     A    85_A     A    85_A      4    8   31      4    4    5   13   13   17   21   22   22   24   26   28   37   41   45   48   49   54   54   57 
LCS_GDT     F    86_A     F    86_A      6    8   32      4    6    6    8    8    8   11   19   21   24   27   29   37   41   45   48   49   54   55   58 
LCS_GDT     L    87_A     L    87_A      6    8   33      4    6    6    8    8   11   18   22   22   24   26   29   37   40   45   48   49   54   54   57 
LCS_GDT     R    88_A     R    88_A      6    8   33      4    6    6    8   15   17   21   23   24   26   29   30   37   41   45   48   49   54   55   58 
LCS_GDT     E    89_A     E    89_A      6   20   33      4    6    6    8    8   13   17   21   23   26   29   30   37   44   47   49   51   54   55   58 
LCS_GDT     L    90_A     L    90_A      6   23   33      4    6   12   15   18   19   22   23   24   26   29   30   40   44   47   49   51   54   55   58 
LCS_GDT     G    91_A     G    91_A     18   23   33      6   15   17   18   20   21   22   23   24   26   29   30   33   38   42   48   49   54   54   58 
LCS_GDT     P    92_A     P    92_A     18   23   33     10   16   17   18   20   21   22   23   24   26   29   30   37   40   45   48   49   54   54   58 
LCS_GDT     E    93_A     E    93_A     18   23   33     10   16   17   18   20   21   22   23   24   26   29   30   33   35   36   40   45   51   55   58 
LCS_GDT     A    94_A     A    94_A     18   23   33     11   16   17   18   20   21   22   23   24   26   29   32   40   44   47   49   51   54   55   58 
LCS_GDT     V    95_A     V    95_A     18   23   33     10   16   17   18   20   21   22   23   24   26   29   32   40   44   47   49   51   54   55   58 
LCS_GDT     E    96_A     E    96_A     18   23   33     11   16   17   18   20   21   22   23   24   26   29   32   38   41   46   49   51   54   55   58 
LCS_GDT     L    97_A     L    97_A     18   23   33     11   16   17   18   20   21   22   23   24   26   29   35   40   44   47   49   51   54   55   58 
LCS_GDT     V    98_A     V    98_A     18   23   33     11   16   17   18   20   21   22   23   25   33   37   40   41   44   47   49   51   54   55   58 
LCS_GDT     S    99_A     S    99_A     18   23   33     11   16   17   18   20   21   22   23   24   31   35   38   40   44   47   49   51   54   55   58 
LCS_GDT     T   100_A     T   100_A     18   23   33     11   16   17   18   20   21   22   23   24   31   35   38   40   44   47   49   51   54   55   58 
LCS_GDT     F   101_A     F   101_A     18   23   33     11   16   17   18   20   21   22   23   31   36   37   40   41   44   47   49   51   54   55   58 
LCS_GDT     T   102_A     T   102_A     18   23   33     11   16   17   18   20   21   22   28   33   36   37   40   41   44   47   49   51   54   55   58 
LCS_GDT     Q   103_A     Q   103_A     18   23   33     11   16   17   18   20   21   22   28   33   36   37   40   41   44   47   49   51   54   55   58 
LCS_GDT     Q   104_A     Q   104_A     18   23   33     11   16   17   18   20   21   22   28   33   36   37   40   41   44   47   49   51   54   55   58 
LCS_GDT     F   105_A     F   105_A     18   23   33     11   16   17   18   20   21   22   28   33   36   37   40   41   44   47   49   51   54   55   58 
LCS_GDT     V   106_A     V   106_A     18   23   33      6   16   17   18   20   21   22   28   33   36   37   40   41   44   47   49   51   54   55   58 
LCS_GDT     D   107_A     D   107_A     18   23   33     10   16   17   18   20   21   22   28   33   36   37   40   41   44   47   49   51   54   55   58 
LCS_GDT     V   108_A     V   108_A     18   23   33      4    5   14   16   20   21   22   28   33   36   37   40   41   44   47   49   50   54   55   58 
LCS_GDT     I   109_A     I   109_A     17   23   33      4    4    6   15   20   21   23   28   33   36   37   40   41   44   47   49   50   52   55   57 
LCS_GDT     R   110_A     R   110_A      5   23   33      4    9   17   18   20   21   22   23   27   33   36   40   41   44   47   49   50   54   55   57 
LCS_GDT     G   111_A     G   111_A      5   23   33      4    4    6   14   19   21   22   23   24   26   36   37   41   44   47   49   50   54   55   57 
LCS_GDT     D   112_A     D   112_A      4   23   33      4    4    9   17   19   19   22   23   24   26   29   30   37   41   45   48   49   54   54   55 
LCS_GDT     P   113_A     P   113_A      4    6   33      4    4    6    6    8    9   16   19   21   24   28   29   37   41   45   48   49   54   54   55 
LCS_GDT     Q   114_A     Q   114_A      4    6   33      4    4    6    6    7    9   13   19   21   24   26   28   37   41   45   48   49   54   54   55 
LCS_GDT     A   115_A     A   115_A      3    6   33      3    4    6    6    7    8   11   13   16   21   24   27   34   41   45   48   49   54   54   55 
LCS_GDT     V   116_A     V   116_A      5    5   33      3    5    5    6    6    8   12   16   19   23   28   29   37   41   45   48   49   54   54   55 
LCS_GDT     A   117_A     A   117_A      5    5   33      3    5    5    6    6    8    9   11   13   22   28   29   37   41   45   48   49   54   54   55 
LCS_GDT     E   118_A     E   118_A      5    5   33      3    5    5    6    6    8   10   17   21   24   28   29   37   41   45   48   49   54   54   55 
LCS_GDT     H   119_A     H   119_A      5    5   33      3    5    5    6    9   15   18   20   21   24   28   29   37   41   45   48   49   54   54   55 
LCS_GDT     L   120_A     L   120_A      5    5   33      3    5    7   14   19   19   19   21   21   24   28   29   37   41   45   48   49   54   54   55 
LCS_GDT     N   121_A     N   121_A      3   21   30      3    3    4    5    5    8   20   21   21   23   26   28   29   36   44   48   49   54   54   55 
LCS_GDT     I   122_A     I   122_A     17   21   30      5    9   13   18   20   20   21   22   22   24   24   26   29   30   32   32   35   41   50   54 
LCS_GDT     S   123_A     S   123_A     19   21   30      5   10   16   19   20   20   21   22   22   24   24   26   28   30   32   32   36   47   50   51 
LCS_GDT     L   124_A     L   124_A     19   21   30      5   14   18   19   20   20   21   22   22   24   24   26   29   30   37   42   44   54   54   55 
LCS_GDT     E   125_A     E   125_A     19   21   30      7   16   18   19   20   20   21   22   22   24   25   28   31   41   45   48   49   54   54   55 
LCS_GDT     D   126_A     D   126_A     19   21   30      7   16   18   19   20   20   21   22   22   24   26   28   37   41   45   48   49   54   54   55 
LCS_GDT     V   127_A     V   127_A     19   21   30      5   16   18   19   20   20   21   22   22   24   26   28   31   41   45   48   49   54   54   55 
LCS_GDT     A   128_A     A   128_A     19   21   30      7   16   18   19   20   20   21   22   22   24   26   28   35   41   45   48   49   54   54   55 
LCS_GDT     R   129_A     R   129_A     19   21   30      5   16   18   19   20   20   21   22   22   24   26   28   37   41   45   48   49   54   54   55 
LCS_GDT     L   130_A     L   130_A     19   21   30      8   16   18   19   20   20   21   22   22   24   26   28   37   41   45   48   49   54   54   55 
LCS_GDT     A   131_A     A   131_A     19   21   30      9   16   18   19   20   20   21   22   22   24   26   28   37   41   45   48   49   54   54   55 
LCS_GDT     E   132_A     E   132_A     19   21   30      8   16   18   19   20   20   21   22   22   24   26   28   37   41   45   48   49   54   54   55 
LCS_GDT     A   133_A     A   133_A     19   21   30      8   16   18   19   20   20   21   22   22   24   26   28   37   41   45   48   49   54   54   55 
LCS_GDT     G   134_A     G   134_A     19   21   30      9   16   18   19   20   20   21   22   22   24   26   28   37   41   45   48   49   54   54   55 
LCS_GDT     E   135_A     E   135_A     19   21   30      9   16   18   19   20   20   21   22   22   24   26   28   37   41   45   48   49   54   54   55 
LCS_GDT     A   136_A     A   136_A     19   21   30      9   16   18   19   20   20   21   22   22   24   26   28   37   41   45   48   49   54   54   55 
LCS_GDT     A   137_A     A   137_A     19   21   30      9   16   18   19   20   20   21   22   22   24   27   30   37   41   45   48   49   54   54   55 
LCS_GDT     I   138_A     I   138_A     19   21   30      9   16   18   19   20   20   21   22   22   24   26   28   37   41   45   48   49   54   54   55 
LCS_GDT     E   139_A     E   139_A     19   21   30      9   16   18   19   20   20   21   22   22   24   26   28   37   41   45   48   49   54   54   55 
LCS_GDT     R   140_A     R   140_A     19   21   30      9   16   18   19   20   20   21   22   22   24   27   30   37   41   45   48   49   54   54   55 
LCS_GDT     G   141_A     G   141_A     19   21   30      9   16   18   19   20   20   21   22   22   24   26   28   37   41   45   48   49   54   54   55 
LCS_AVERAGE  LCS_A:  13.95  (   8.74   11.35   21.76 )

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     14     17     18     19     21     25     26     28     33     36     37     40     41     44     47     49     51     54     55     58 
GDT PERCENT_AT   9.27  11.26  11.92  12.58  13.91  16.56  17.22  18.54  21.85  23.84  24.50  26.49  27.15  29.14  31.13  32.45  33.77  35.76  36.42  38.41
GDT RMS_LOCAL    0.36   0.53   0.71   0.89   1.35   1.98   2.10   2.49   3.27   3.38   3.47   3.79   3.91   4.79   5.01   5.16   5.66   6.29   5.94   6.46
GDT RMS_ALL_AT  15.43  15.54  21.37  21.41  16.18  16.71  16.64  17.40  16.07  16.09  16.12  15.92  15.80  16.53  16.27  16.34  16.98  16.17  16.29  17.16

# Checking swapping
#   possible swapping detected:  E    49_A      E    49_A
#   possible swapping detected:  E    53_A      E    53_A
#   possible swapping detected:  D    56_A      D    56_A
#   possible swapping detected:  F    69_A      F    69_A
#   possible swapping detected:  E    71_A      E    71_A
#   possible swapping detected:  D    82_A      D    82_A
#   possible swapping detected:  F    83_A      F    83_A
#   possible swapping detected:  F    86_A      F    86_A
#   possible swapping detected:  E    89_A      E    89_A
#   possible swapping detected:  F   101_A      F   101_A
#   possible swapping detected:  D   112_A      D   112_A
#   possible swapping detected:  E   132_A      E   132_A
#   possible swapping detected:  E   135_A      E   135_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    A    46_A      A    46_A     2.999     0    0.134   0.144     5.529   55.833   48.952
LGA    I    47_A      I    47_A     6.464     0    0.098   0.183    11.053   20.357   10.952
LGA    I    48_A      I    48_A     6.746     0    0.029   0.060    10.533   18.571   10.417
LGA    E    49_A      E    49_A     2.312     0    0.098   0.886     9.316   71.667   41.270
LGA    G    50_A      G    50_A     5.042     0    0.647   0.647     5.265   35.238   35.238
LGA    N    51_A      N    51_A     4.381     0    0.083   0.176     9.032   47.619   29.524
LGA    P    52_A      P    52_A     2.374     0    0.132   0.168     4.128   57.976   52.653
LGA    E    53_A      E    53_A     4.342     0    0.113   1.245     9.298   46.905   25.026
LGA    R    54_A      R    54_A     3.216     0    0.180   1.074     8.575   39.881   28.355
LGA    R    55_A      R    55_A     6.961     0    0.377   0.708    15.686   19.524    7.229
LGA    D    56_A      D    56_A     2.436     0    0.424   1.044     4.024   61.429   56.786
LGA    E    57_A      E    57_A     2.421     0    0.034   0.881     2.888   64.881   71.429
LGA    I    58_A      I    58_A     1.965     0    0.590   0.679     3.240   67.262   64.226
LGA    K    59_A      K    59_A     2.788     0    0.110   0.703     4.266   57.143   49.577
LGA    A    60_A      A    60_A     2.222     0    0.155   0.179     2.632   66.786   64.857
LGA    D    61_A      D    61_A     0.599     0    0.055   0.224     1.554   88.214   88.333
LGA    L    62_A      L    62_A     2.253     0    0.043   0.898     3.579   66.786   58.512
LGA    A    63_A      A    63_A     2.883     0    0.024   0.023     3.609   60.952   57.429
LGA    R    64_A      R    64_A     1.527     0    0.136   1.239     6.077   79.405   52.987
LGA    A    65_A      A    65_A     0.979     0    0.064   0.094     1.638   86.190   83.524
LGA    A    66_A      A    66_A     2.270     0    0.087   0.088     3.152   68.810   65.048
LGA    R    67_A      R    67_A     1.715     0    0.077   1.173     8.208   79.286   50.346
LGA    V    68_A      V    68_A     1.396     0    0.038   0.087     3.031   83.690   73.469
LGA    F    69_A      F    69_A     1.522     0    0.089   1.198     4.621   77.143   61.818
LGA    G    70_A      G    70_A     0.961     0    0.020   0.020     0.961   92.857   92.857
LGA    E    71_A      E    71_A     1.096     0    0.044   0.681     2.885   83.690   73.280
LGA    A    72_A      A    72_A     2.008     0    0.024   0.032     2.744   72.976   69.810
LGA    L    73_A      L    73_A     1.599     0    0.098   1.388     4.910   79.286   72.083
LGA    E    74_A      E    74_A     0.941     0    0.197   0.312     3.601   85.952   69.418
LGA    R    75_A      R    75_A     2.295     0    0.554   1.138     3.558   63.095   56.753
LGA    D    76_A      D    76_A     2.723     0    0.486   1.156     5.352   48.690   39.405
LGA    I    77_A      I    77_A     6.997     0    0.573   0.580    10.898   13.571    8.155
LGA    T    78_A      T    78_A    12.025     0    0.115   1.085    14.679    0.000    0.000
LGA    T    79_A      T    79_A    13.191     0    0.586   1.390    13.233    0.000    0.000
LGA    P    80_A      P    80_A    15.140     0    0.077   0.110    17.432    0.000    0.000
LGA    E    81_A      E    81_A    18.714     0    0.107   0.960    23.887    0.000    0.000
LGA    D    82_A      D    82_A    15.311     0    0.568   1.350    16.006    0.000    0.000
LGA    F    83_A      F    83_A    18.962     0    0.503   1.543    23.230    0.000    0.000
LGA    N    84_A      N    84_A    20.538     0    0.593   1.174    20.747    0.000    0.000
LGA    A    85_A      A    85_A    16.743     0    0.044   0.040    17.988    0.000    0.000
LGA    F    86_A      F    86_A    13.380     0    0.264   1.627    18.907    0.000    0.000
LGA    L    87_A      L    87_A    17.065     0    0.049   1.143    21.896    0.000    0.000
LGA    R    88_A      R    88_A    16.687     0    0.350   0.674    21.379    0.000    0.000
LGA    E    89_A      E    89_A    12.771     0    0.258   1.324    13.673    0.000    0.847
LGA    L    90_A      L    90_A    12.698     0    0.029   1.330    14.055    0.000    0.000
LGA    G    91_A      G    91_A    16.927     0    0.526   0.526    16.927    0.000    0.000
LGA    P    92_A      P    92_A    18.347     0    0.091   0.117    21.061    0.000    0.000
LGA    E    93_A      E    93_A    16.836     0    0.041   0.369    21.101    0.000    0.000
LGA    A    94_A      A    94_A    12.287     0    0.071   0.085    13.958    0.000    0.000
LGA    V    95_A      V    95_A    12.763     0    0.017   0.042    14.721    0.000    0.000
LGA    E    96_A      E    96_A    13.793     0    0.031   0.169    17.815    0.000    0.000
LGA    L    97_A      L    97_A    11.305     0    0.032   0.127    12.233    0.476    0.238
LGA    V    98_A      V    98_A     8.284     0    0.029   0.182     9.277    4.524    5.306
LGA    S    99_A      S    99_A     9.658     0    0.119   0.679    13.364    0.952    0.635
LGA    T   100_A      T   100_A    10.092     0    0.023   0.066    12.430    1.071    0.612
LGA    F   101_A      F   101_A     7.724     0    0.049   1.696    13.049    9.167    4.372
LGA    T   102_A      T   102_A     6.160     0    0.075   0.867     7.866   17.262   14.762
LGA    Q   103_A      Q   103_A     7.154     0    0.048   1.486    12.566   11.667    5.767
LGA    Q   104_A      Q   104_A     7.696     0    0.059   0.900    11.683    9.286    4.868
LGA    F   105_A      F   105_A     6.278     0    0.063   1.441    12.308   17.143    8.918
LGA    V   106_A      V   106_A     6.146     0    0.021   0.052     6.962   17.143   15.510
LGA    D   107_A      D   107_A     6.504     0    0.194   0.234     7.590   12.738   13.631
LGA    V   108_A      V   108_A     6.490     0    0.103   0.821     6.979   16.190   19.252
LGA    I   109_A      I   109_A     5.629     0    0.121   1.237     7.041   17.738   20.833
LGA    R   110_A      R   110_A     8.256     0    0.047   0.962    14.065    4.524    2.251
LGA    G   111_A      G   111_A     8.833     0    0.241   0.241    11.853    1.905    1.905
LGA    D   112_A      D   112_A    15.308     0    0.145   1.115    20.214    0.000    0.000
LGA    P   113_A      P   113_A    20.226     0    0.063   0.328    23.660    0.000    0.000
LGA    Q   114_A      Q   114_A    26.222     0    0.634   1.303    29.750    0.000    0.000
LGA    A   115_A      A   115_A    26.709     0    0.575   0.567    28.215    0.000    0.000
LGA    V   116_A      V   116_A    26.633     0    0.543   0.822    29.560    0.000    0.000
LGA    A   117_A      A   117_A    31.454     0    0.614   0.593    32.245    0.000    0.000
LGA    E   118_A      E   118_A    31.437     0    0.077   0.686    32.144    0.000    0.000
LGA    H   119_A      H   119_A    29.198     0    0.548   0.711    31.067    0.000    0.000
LGA    L   120_A      L   120_A    32.573     0    0.040   1.009    34.596    0.000    0.000
LGA    N   121_A      N   121_A    33.658     0    0.537   0.945    38.285    0.000    0.000
LGA    I   122_A      I   122_A    29.245     0    0.650   1.350    30.690    0.000    0.000
LGA    S   123_A      S   123_A    29.170     0    0.015   0.101    31.840    0.000    0.000
LGA    L   124_A      L   124_A    27.002     0    0.099   0.202    28.396    0.000    0.000
LGA    E   125_A      E   125_A    31.687     0    0.079   0.684    39.780    0.000    0.000
LGA    D   126_A      D   126_A    31.007     0    0.096   1.306    35.884    0.000    0.000
LGA    V   127_A      V   127_A    26.218     0    0.050   0.076    27.821    0.000    0.000
LGA    A   128_A      A   128_A    27.811     0    0.041   0.041    29.024    0.000    0.000
LGA    R   129_A      R   129_A    30.925     0    0.034   1.043    40.797    0.000    0.000
LGA    L   130_A      L   130_A    27.034     0    0.052   0.174    28.869    0.000    0.000
LGA    A   131_A      A   131_A    24.501     0    0.048   0.046    25.764    0.000    0.000
LGA    E   132_A      E   132_A    29.168     0    0.021   1.039    34.542    0.000    0.000
LGA    A   133_A      A   133_A    29.091     0    0.030   0.040    29.515    0.000    0.000
LGA    G   134_A      G   134_A    23.988     0    0.023   0.023    25.609    0.000    0.000
LGA    E   135_A      E   135_A    25.900     0    0.020   1.144    29.755    0.000    0.000
LGA    A   136_A      A   136_A    29.632     0    0.021   0.021    31.382    0.000    0.000
LGA    A   137_A      A   137_A    25.764     0    0.041   0.043    27.010    0.000    0.000
LGA    I   138_A      I   138_A    23.358     0    0.029   0.039    24.824    0.000    0.000
LGA    E   139_A      E   139_A    28.349     0    0.015   0.746    33.614    0.000    0.000
LGA    R   140_A      R   140_A    28.171     0    0.143   1.209    36.930    0.000    0.000
LGA    G   141_A      G   141_A    23.228     0    0.674   0.674    24.799    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       96     384    384  100.00     742    742  100.00               151
SUMMARY(RMSD_GDC):    11.374         11.267                 12.409           13.930   11.851

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   96  151    4.0     28    2.49    18.709    17.156     1.080

LGA_LOCAL      RMSD:   2.492  Number of atoms:   28  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  17.401  Number of assigned atoms:   96 
Std_ASGN_ATOMS RMSD:  11.374  Standard rmsd on all 96 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.848498 * X  +   0.072757 * Y  +  -0.524173 * Z  + -15.344876
  Y_new =   0.145648 * X  +   0.920145 * Y  +   0.363484 * Z  +   3.776067
  Z_new =   0.508761 * X  +  -0.384760 * Y  +   0.770144 * Z  +  37.748505 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.169997 -0.533745 -0.463323   [DEG:    9.7401  -30.5813  -26.5464 ]
ZXZ: -2.177108  0.691729  2.218297   [DEG: -124.7391   39.6331  127.0991 ]
 
# END of job
