
#######################################################
#                                                     #
#                        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   99 (  812),  selected   99 , name one
# Molecule2: number of CA atoms  300 ( 2476),  selected   99 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    31      37_B - 67_B        4.84    35.08
  LCS_AVERAGE:      7.31

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    16      84_B - 99_B        1.94    27.05
  LCS_AVERAGE:      3.32

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    13      40_B - 52_B        0.94    27.21
  LONGEST_CONTINUOUS_SEGMENT:    13     123_B - 135_B       0.76    23.55
  LCS_AVERAGE:      2.44

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   99
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    37_A     G    37_B      3    5   31      0    3    3    3    5    6    6    7    8    8    8   23   26   28   30   31   31   31   32   32 
LCS_GDT     G    38_A     G    38_B      3    5   31      3    3    3    3    5    9   13   17   20   22   23   27   27   28   30   31   31   31   41   48 
LCS_GDT     G    39_A     G    39_B      3   14   31      3    3    3    6    8   10   14   17   20   22   23   27   27   28   30   31   32   41   46   51 
LCS_GDT     E    40_A     E    40_B     13   15   31      4    6   13   13   15   15   15   17   20   22   22   27   27   31   35   37   41   44   48   51 
LCS_GDT     S    41_A     S    41_B     13   15   31      4    9   13   13   15   15   15   17   20   22   23   27   27   31   35   37   41   44   48   51 
LCS_GDT     I    42_A     I    42_B     13   15   31      9   10   13   13   15   15   15   17   20   22   23   27   28   31   35   37   41   44   48   51 
LCS_GDT     P    43_A     P    43_B     13   15   31      9   10   13   13   15   15   15   17   19   22   23   27   28   29   30   33   36   41   45   49 
LCS_GDT     L    44_A     L    44_B     13   15   31      9   10   13   13   15   15   15   17   18   22   22   25   28   29   30   31   33   37   42   46 
LCS_GDT     E    45_A     E    45_B     13   15   31      9   10   13   13   15   15   15   17   17   19   22   25   28   29   30   31   33   37   42   46 
LCS_GDT     T    46_A     T    46_B     13   15   31      9   10   13   13   15   15   15   17   19   22   23   27   28   31   35   37   41   44   48   51 
LCS_GDT     F    47_A     F    47_B     13   15   31      9   10   13   13   15   15   15   17   20   22   23   27   28   31   35   37   41   44   48   51 
LCS_GDT     R    48_A     R    48_B     13   15   31      9   10   13   13   15   15   15   17   19   22   23   27   28   31   35   37   41   44   48   51 
LCS_GDT     D    49_A     D    49_B     13   15   31      9   10   13   13   15   15   15   17   19   22   23   27   28   31   35   37   41   44   48   51 
LCS_GDT     M    50_A     M    50_B     13   15   31      9   10   13   13   15   15   15   17   20   22   23   27   28   31   35   37   41   44   48   51 
LCS_GDT     V    51_A     V    51_B     13   15   31      4   10   13   13   15   15   15   17   20   22   23   27   28   31   35   37   41   44   48   51 
LCS_GDT     R    52_A     R    52_B     13   15   31      4    9   13   13   15   15   15   17   20   22   23   27   28   31   35   37   41   44   48   51 
LCS_GDT     R    53_A     R    53_B      6   15   31      5    5    5    7   10   14   14   17   20   21   23   27   28   31   35   37   41   44   48   51 
LCS_GDT     Y    54_A     Y    54_B      6   15   31      5    5    5    9   15   15   15   17   20   22   23   27   28   31   33   37   41   44   48   51 
LCS_GDT     N    55_A     N    55_B      6    8   31      5    5    5    6    8    8   13   17   20   22   23   27   28   29   30   31   39   44   48   51 
LCS_GDT     N    56_A     N    56_B      6    8   31      5    5    5   10   15   15   15   17   20   22   23   27   28   31   35   37   41   44   48   51 
LCS_GDT     F    57_A     F    57_B      6    8   31      5    5    5    7    8   11   13   17   20   22   23   27   28   31   35   37   41   44   48   51 
LCS_GDT     K    58_A     K    58_B      6    8   31      4    4    5    7    8    9   13   17   20   22   23   27   27   28   30   31   36   42   47   51 
LCS_GDT     D    59_A     D    59_B      5    8   31      4    4    5    7    8    9   12   17   20   22   23   27   28   29   30   31   36   42   48   51 
LCS_GDT     R    60_A     R    60_B      5    8   31      4    4    5    7    8   11   14   17   20   22   23   27   28   29   33   36   41   44   48   51 
LCS_GDT     Y    61_A     Y    61_B      3    6   31      3    4    4    6    7   11   13   17   20   22   23   27   27   28   30   31   33   36   38   44 
LCS_GDT     G    62_A     G    62_B      3    4   31      3    4    4    6    7    8   10   13   20   21   21   27   27   28   30   31   33   36   39   44 
LCS_GDT     R    63_A     R    63_B      3    4   31      3    3    3    4    7    9   12   17   20   21   23   27   27   28   30   31   31   31   32   40 
LCS_GDT     E    64_A     E    64_B      3    4   31      0    3    3    6    7   10   13   17   20   21   23   27   27   28   30   31   31   31   32   32 
LCS_GDT     P    65_A     P    65_B      4    4   31      3    3    4    4    5    5    9   13   16   19   22   25   27   28   30   31   31   31   32   32 
LCS_GDT     R    66_A     R    66_B      4    4   31      3    3    4    4    5    7   10   13   16   20   23   27   27   28   30   31   31   31   32   32 
LCS_GDT     I    67_A     I    67_B      4    6   31      3    3    4    4    6    7   10   13   16   21   23   27   27   28   30   31   31   31   32   32 
LCS_GDT     V    68_A     V    68_B      4    6   28      3    4    4    4    6    6    8    8   10   11   16   16   20   22   24   27   28   31   32   32 
LCS_GDT     Y    69_A     Y    69_B      4    6   15      3    4    4    4    6    6    8    8   10   10   12   13   16   18   20   23   25   28   29   31 
LCS_GDT     V    70_A     V    70_B      4    6   13      3    4    4    4    6    6    8    9   10   10   12   13   15   18   19   20   21   25   27   30 
LCS_GDT     T    71_A     T    71_B      4    6   13      3    4    4    5    6    6    8    8   10   10   12   13   13   14   18   22   24   25   27   30 
LCS_GDT     P    72_A     P    72_B      4    6   13      3    3    4    5    6    6    8    8   10   10   11   11   13   14   18   25   29   30   30   30 
LCS_GDT     P    73_A     P    73_B      4    5   13      3    3    4    5    5    6    8    8    8    9   10   11   13   14   22   25   29   30   30   31 
LCS_GDT     E    74_A     E    74_B      4    5   12      3    3    4    5    5    6    8   10   12   14   16   17   18   20   22   25   29   30   30   31 
LCS_GDT     P    75_A     P    75_B      4    5   12      3    3    4    5   11   13   14   14   14   15   16   17   18   21   22   25   29   30   30   31 
LCS_GDT     P    76_A     P    76_B      4    5   12      4    4    4    4    5    5    7   12   14   14   14   19   21   25   27   28   29   31   31   33 
LCS_GDT     V    77_A     V    77_B      4    5   12      4    4    4    4    5    7    8   12   16   17   18   20   22   25   27   28   29   32   33   35 
LCS_GDT     P    78_A     P    78_B      4    6   12      4    5    8   10   11   12   14   15   16   18   19   23   25   25   27   30   31   32   34   36 
LCS_GDT     E    79_A     E    79_B      4    6   12      4    4    4    5    5    6    8    9   12   17   18   20   25   26   27   30   31   34   35   39 
LCS_GDT     V    80_A     V    80_B      4    6   12      4    4    4    5    5    6    7    8    8    9   10   11   12   12   13   15   18   25   28   34 
LCS_GDT     N    81_A     N    81_B      4    6   20      4    4    4    5    5    6    7    8    8    9   10   11   14   18   18   20   22   29   32   34 
LCS_GDT     E    82_A     E    82_B      4    6   21      4    4    4    6    6    7    8   11   13   18   19   23   25   26   27   30   31   32   35   39 
LCS_GDT     N    83_A     N    83_B      4    7   21      3    4    4    6    6    7    9   11   14   18   19   23   25   26   27   30   31   32   35   39 
LCS_GDT     T    84_A     T    84_B      5   16   21      3    4    8   12   15   16   16   16   16   18   19   23   25   26   27   30   31   36   38   44 
LCS_GDT     P    85_A     P    85_B      5   16   21      3    4    7   12   15   16   16   16   16   18   19   23   27   31   35   37   41   44   48   51 
LCS_GDT     E    86_A     E    86_B      5   16   21      3    4    8   12   15   16   16   16   16   18   19   23   27   31   35   37   41   43   46   50 
LCS_GDT     Y    87_A     Y    87_B      6   16   21      3    4    9   12   15   16   16   16   16   18   19   23   27   31   35   37   41   44   48   51 
LCS_GDT     V    88_A     V    88_B     11   16   21      5   10   11   11   15   16   16   16   16   18   21   24   28   31   35   37   41   44   48   51 
LCS_GDT     S    89_A     S    89_B     11   16   21      9   10   11   12   15   16   16   16   16   20   22   25   28   29   30   32   38   44   48   51 
LCS_GDT     I    90_A     I    90_B     11   16   21      9   10   11   12   15   16   16   16   16   18   19   23   27   29   30   30   32   33   39   46 
LCS_GDT     T    91_A     T    91_B     11   16   21      9   10   11   12   15   16   16   16   16   16   19   23   27   29   30   31   35   44   47   51 
LCS_GDT     Q    92_A     Q    92_B     11   16   21      9   10   11   12   15   16   16   16   16   20   22   25   28   31   35   37   41   44   48   51 
LCS_GDT     F    93_A     F    93_B     11   16   21      9   10   11   12   15   16   16   16   16   20   22   25   28   31   35   37   41   44   48   51 
LCS_GDT     K    94_A     K    94_B     11   16   21      9   10   11   12   15   16   16   16   16   20   22   25   28   31   35   37   41   44   48   51 
LCS_GDT     D    95_A     D    95_B     11   16   21      9   10   11   12   15   16   16   16   16   20   22   25   28   31   35   37   41   44   48   51 
LCS_GDT     M    96_A     M    96_B     11   16   21      9   10   11   11   15   16   16   16   16   20   22   25   28   31   35   37   41   44   48   51 
LCS_GDT     L    97_A     L    97_B     11   16   21      9   10   11   11   15   16   16   16   16   20   22   25   28   31   35   37   41   44   48   51 
LCS_GDT     S    98_A     S    98_B     11   16   21      3    8   11   12   15   16   16   16   16   20   22   25   28   31   35   37   41   44   48   51 
LCS_GDT     R    99_A     R    99_B      3   16   21      3    3    5    9   12   16   16   16   16   16   17   19   22   25   28   32   35   37   46   50 
LCS_GDT     Y   100_A     Y   100_B      3    4   21      3    3    4    4    7    7   10   12   15   17   20   25   28   29   32   36   41   44   48   51 
LCS_GDT     N   101_A     N   101_B      3    4   21      3    3    4    4    6    7   10   10   12   13   15   18   22   26   33   37   41   44   48   51 
LCS_GDT     R   102_A     R   102_B      3    6   21      3    3    3    4    4    7    8   10   11   13   15   18   20   23   25   30   36   44   48   51 
LCS_GDT     F   103_A     F   103_B      5    6   18      4    5    6    6    7    7   10   10   12   13   17   19   22   31   33   37   41   44   48   51 
LCS_GDT     K   104_A     K   104_B      5    6   18      4    5    6    6    7    7   10   10   12   13   15   18   22   31   35   37   41   44   48   51 
LCS_GDT     E   105_A     E   105_B      5    6   18      4    5    6    6    7    8   10   12   15   16   18   20   22   31   35   37   41   44   48   51 
LCS_GDT     V   106_A     V   106_B      5    6   18      4    5    6    6    7    7   10   12   15   17   20   20   22   25   33   37   41   44   48   51 
LCS_GDT     N   107_A     N   107_B      5    6   18      4    5    6    6    7    7   10   12   16   18   20   21   22   25   26   30   36   44   48   51 
LCS_GDT     G   108_A     G   108_B      4    6   18      3    3    5    5    6    6    8    9   11   13   15   17   19   22   24   29   35   41   47   49 
LCS_GDT     R   109_A     R   109_B      4    4   18      3    3    5    5    6    6    9   12   14   17   20   21   27   31   35   37   41   44   48   51 
LCS_GDT     E   110_A     E   110_B      4    4   18      3    3    4    5    6    8    9   12   16   18   20   22   27   31   35   37   41   44   48   51 
LCS_GDT     P   111_A     P   111_B      4    4   18      3    3    4    4    5    8    9   12   16   18   20   22   27   31   35   37   41   44   48   51 
LCS_GDT     R   112_A     R   112_B      4    4   18      3    3    4    5    6    8   10   12   13   16   17   22   27   31   35   37   41   44   48   51 
LCS_GDT     V   113_A     V   113_B      4    4   17      3    3    4    7    9    9   10   11   13   16   17   22   27   31   35   37   41   44   48   51 
LCS_GDT     V   114_A     V   114_B      4    4   17      3    3    6    7    9    9   10   12   16   18   20   22   27   31   35   37   41   44   48   51 
LCS_GDT     F   115_A     F   115_B      4    4   17      3    4    6    7    9    9   10   13   16   18   20   21   25   31   35   37   41   44   48   51 
LCS_GDT     I   116_A     I   116_B      4    5   17      3    4    4    4    6    8   11   13   16   18   20   21   22   25   26   27   31   36   44   49 
LCS_GDT     Y   117_A     Y   117_B      4    5   17      3    4    4    4    5    6    8   12   13   16   20   21   22   25   26   27   28   36   45   49 
LCS_GDT     S   118_A     S   118_B      5    6   17      3    4    6    7    9    9    9   12   13   15   16   18   20   22   24   27   33   38   46   49 
LCS_GDT     G   119_A     G   119_B      5    6   17      3    3    6    7    9    9    9   12   13   15   16   18   22   23   24   27   28   29   30   43 
LCS_GDT     G   120_A     G   120_B      5    6   17      3    3    6    7    9    9   10   12   16   18   20   21   22   25   26   29   36   44   48   51 
LCS_GDT     G   121_A     G   121_B      5    6   17      2    3    6    7    9    9   11   13   15   18   20   21   22   25   30   34   39   44   48   51 
LCS_GDT     P   122_A     P   122_B      5   14   17      4    6    9   14   14   14   14   14   15   16   18   21   25   31   33   37   41   44   48   51 
LCS_GDT     S   123_A     S   123_B     13   14   17      4    9   12   14   14   14   14   14   15   16   18   22   27   31   35   37   41   44   48   51 
LCS_GDT     V   124_A     V   124_B     13   14   17      9   12   12   14   14   14   14   14   16   18   20   22   27   31   35   37   41   44   48   51 
LCS_GDT     S   125_A     S   125_B     13   14   17      6   12   12   14   14   14   14   14   16   18   20   21   24   26   27   30   31   34   40   42 
LCS_GDT     L   126_A     L   126_B     13   14   17      9   12   12   14   14   14   14   14   15   16   18   20   25   26   27   30   31   32   34   36 
LCS_GDT     E   127_A     E   127_B     13   14   17      9   12   12   14   14   14   14   14   15   18   19   23   25   26   27   30   31   32   34   36 
LCS_GDT     T   128_A     T   128_B     13   14   17      9   12   12   14   14   14   14   14   16   18   20   23   25   26   27   30   31   33   34   36 
LCS_GDT     F   129_A     F   129_B     13   14   17      9   12   12   14   14   14   14   14   16   18   20   23   25   26   27   30   31   32   34   36 
LCS_GDT     K   130_A     K   130_B     13   14   17      9   12   12   14   14   14   14   14   15   18   20   23   25   25   27   29   31   32   34   35 
LCS_GDT     D   131_A     D   131_B     13   14   17      9   12   12   14   14   14   14   14   16   18   20   23   25   25   27   29   31   32   34   35 
LCS_GDT     M   132_A     M   132_B     13   14   17      9   12   12   14   14   14   14   14   16   18   20   21   22   25   27   29   31   32   34   35 
LCS_GDT     C   133_A     C   133_B     13   14   17      6   12   12   14   14   14   14   14   16   18   20   21   22   25   26   27   29   32   34   35 
LCS_GDT     K   134_A     K   134_B     13   14   17      9   12   12   14   14   14   14   14   16   18   20   21   22   25   26   27   29   30   31   34 
LCS_GDT     R   135_A     R   135_B     13   14   17      3   12   12   14   14   14   14   14   16   18   20   21   22   25   26   27   28   30   31   32 
LCS_AVERAGE  LCS_A:   4.36  (   2.44    3.32    7.31 )

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     12     13     14     15     16     16     17     20     22     23     27     28     31     35     37     41     44     48     51 
GDT PERCENT_AT   3.00   4.00   4.33   4.67   5.00   5.33   5.33   5.67   6.67   7.33   7.67   9.00   9.33  10.33  11.67  12.33  13.67  14.67  16.00  17.00
GDT RMS_LOCAL    0.30   0.49   0.94   1.03   1.70   1.94   1.94   2.60   3.18   3.54   3.76   4.23   4.53   5.43   5.91   6.14   6.46   6.79   7.14   7.36
GDT RMS_ALL_AT  25.14  23.35  27.21  23.79  26.54  27.05  27.05  30.12  35.51  34.85  35.18  35.21  18.62  15.81  15.70  15.64  15.61  15.61  15.64  15.68

# Checking swapping
#   possible swapping detected:  E    40_A      E    40_B
#   possible swapping detected:  E    45_A      E    45_B
#   possible swapping detected:  Y    54_A      Y    54_B
#   possible swapping detected:  E    74_A      E    74_B
#   possible swapping detected:  E    79_A      E    79_B
#   possible swapping detected:  F    93_A      F    93_B
#   possible swapping detected:  Y   100_A      Y   100_B
#   possible swapping detected:  E   105_A      E   105_B
#   possible swapping detected:  E   110_A      E   110_B
#   possible swapping detected:  F   115_A      F   115_B
#   possible swapping detected:  F   129_A      F   129_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G    37_A      G    37_B    18.337     0    0.481   0.481    18.337    0.000    0.000
LGA    G    38_A      G    38_B    11.812     0    0.587   0.587    13.924    0.000    0.000
LGA    G    39_A      G    39_B     8.451     0    0.407   0.407     9.629   12.024   12.024
LGA    E    40_A      E    40_B     2.388     0    0.572   1.046     8.919   52.262   32.804
LGA    S    41_A      S    41_B     2.143     0    0.035   0.051     2.926   77.381   70.635
LGA    I    42_A      I    42_B     1.449     0    0.104   0.708     5.039   81.429   63.631
LGA    P    43_A      P    43_B     0.428     0    0.098   0.303     1.000   95.238   93.265
LGA    L    44_A      L    44_B     2.010     0    0.027   0.085     4.543   72.976   59.167
LGA    E    45_A      E    45_B     2.601     0    0.093   0.971     6.421   62.857   40.370
LGA    T    46_A      T    46_B     2.116     0    0.012   0.065     3.081   68.810   63.878
LGA    F    47_A      F    47_B     0.955     0    0.045   0.170     4.576   92.857   66.364
LGA    R    48_A      R    48_B     0.964     0    0.052   0.933     9.166   85.952   45.887
LGA    D    49_A      D    49_B     2.455     0    0.026   0.377     4.066   64.881   55.833
LGA    M    50_A      M    50_B     2.421     0    0.041   0.775     3.251   59.167   62.024
LGA    V    51_A      V    51_B     2.545     0    0.085   0.100     3.627   55.595   57.415
LGA    R    52_A      R    52_B     3.037     0    0.584   1.494     6.823   46.905   39.654
LGA    R    53_A      R    53_B     6.445     0    0.615   1.176    18.963   30.952   11.385
LGA    Y    54_A      Y    54_B     2.263     0    0.040   0.903     6.452   57.500   40.278
LGA    N    55_A      N    55_B     4.013     0    0.021   0.151     9.231   46.905   27.798
LGA    N    56_A      N    56_B     2.480     0    0.091   0.084     7.323   49.762   37.976
LGA    F    57_A      F    57_B     5.472     0    0.097   0.469    12.231   24.167   10.952
LGA    K    58_A      K    58_B     7.413     0    0.032   0.685     9.487   10.000    7.143
LGA    D    59_A      D    59_B     6.603     0    0.268   1.115     8.713   18.333   13.155
LGA    R    60_A      R    60_B     5.480     0    0.586   0.921    10.739   16.310    9.654
LGA    Y    61_A      Y    61_B     9.796     0    0.043   0.194    14.378    1.905    7.183
LGA    G    62_A      G    62_B    16.065     0    0.255   0.255    19.716    0.000    0.000
LGA    R    63_A      R    63_B    17.076     0    0.590   1.259    19.259    0.000    0.000
LGA    E    64_A      E    64_B    15.428     0    0.545   1.292    19.002    0.000    0.000
LGA    P    65_A      P    65_B    17.153     0    0.588   0.772    20.547    0.000    0.000
LGA    R    66_A      R    66_B    20.855     0    0.199   1.509    23.752    0.000    0.000
LGA    I    67_A      I    67_B    16.423     0    0.587   0.963    17.424    0.000    0.000
LGA    V    68_A      V    68_B    16.230     0    0.624   0.579    18.488    0.000    0.000
LGA    Y    69_A      Y    69_B    17.754     0    0.028   1.369    18.716    0.000    0.000
LGA    V    70_A      V    70_B    20.968     0    0.233   0.968    23.098    0.000    0.000
LGA    T    71_A      T    71_B    21.613     0    0.106   0.123    21.831    0.000    0.000
LGA    P    72_A      P    72_B    24.302     0    0.520   0.609    25.349    0.000    0.000
LGA    P    73_A      P    73_B    22.512     0    0.451   0.600    24.852    0.000    0.000
LGA    E    74_A      E    74_B    20.938     0    0.062   1.057    21.778    0.000    0.000
LGA    P    75_A      P    75_B    20.270     0    0.703   0.657    20.963    0.000    0.000
LGA    P    76_A      P    76_B    18.234     0    0.717   0.695    21.047    0.000    0.000
LGA    V    77_A      V    77_B    13.476     0    0.021   1.192    15.991    0.000    0.000
LGA    P    78_A      P    78_B    13.658     0    0.067   0.344    14.815    0.000    0.136
LGA    E    79_A      E    79_B    17.781     0    0.315   1.119    22.152    0.000    0.000
LGA    V    80_A      V    80_B    23.594     0    0.171   1.034    27.199    0.000    0.000
LGA    N    81_A      N    81_B    26.141     0    0.293   1.039    26.664    0.000    0.000
LGA    E    82_A      E    82_B    27.136     0    0.621   0.515    28.171    0.000    0.000
LGA    N    83_A      N    83_B    32.169     0    0.545   0.517    36.620    0.000    0.000
LGA    T    84_A      T    84_B    32.919     0    0.596   1.360    36.111    0.000    0.000
LGA    P    85_A      P    85_B    39.138     0    0.664   0.570    41.842    0.000    0.000
LGA    E    86_A      E    86_B    41.649     0    0.177   0.806    46.357    0.000    0.000
LGA    Y    87_A      Y    87_B    43.402     0    0.119   1.425    47.283    0.000    0.000
LGA    V    88_A      V    88_B    40.520     0    0.149   1.096    44.607    0.000    0.000
LGA    S    89_A      S    89_B    44.564     0    0.014   0.116    44.861    0.000    0.000
LGA    I    90_A      I    90_B    46.307     0    0.020   1.315    50.839    0.000    0.000
LGA    T    91_A      T    91_B    43.691     0    0.043   0.067    46.930    0.000    0.000
LGA    Q    92_A      Q    92_B    37.465     0    0.029   1.232    40.074    0.000    0.000
LGA    F    93_A      F    93_B    38.218     0    0.042   1.482    41.258    0.000    0.000
LGA    K    94_A      K    94_B    39.351     0    0.084   1.014    48.661    0.000    0.000
LGA    D    95_A      D    95_B    34.180     0    0.048   0.993    36.243    0.000    0.000
LGA    M    96_A      M    96_B    29.956     0    0.027   0.805    31.796    0.000    0.000
LGA    L    97_A      L    97_B    32.253     0    0.476   1.335    36.637    0.000    0.000
LGA    S    98_A      S    98_B    29.978     0    0.405   0.716    30.475    0.000    0.000
LGA    R    99_A      R    99_B    29.791     0    0.321   1.059    30.823    0.000    0.000
LGA    Y   100_A      Y   100_B    32.626     0    0.592   0.649    39.658    0.000    0.000
LGA    N   101_A      N   101_B    37.570     0    0.090   0.191    42.409    0.000    0.000
LGA    R   102_A      R   102_B    35.334     0    0.627   1.091    41.762    0.000    0.000
LGA    F   103_A      F   103_B    32.738     0    0.466   1.244    34.417    0.000    0.000
LGA    K   104_A      K   104_B    38.034     0    0.153   0.773    43.683    0.000    0.000
LGA    E   105_A      E   105_B    35.480     0    0.172   0.976    36.078    0.000    0.000
LGA    V   106_A      V   106_B    31.076     0    0.198   1.190    32.844    0.000    0.000
LGA    N   107_A      N   107_B    34.200     0    0.670   1.086    36.599    0.000    0.000
LGA    G   108_A      G   108_B    40.474     0    0.341   0.341    42.513    0.000    0.000
LGA    R   109_A      R   109_B    40.125     0    0.598   1.491    40.661    0.000    0.000
LGA    E   110_A      E   110_B    39.370     0    0.585   1.533    40.860    0.000    0.000
LGA    P   111_A      P   111_B    40.309     0    0.639   0.860    43.748    0.000    0.000
LGA    R   112_A      R   112_B    44.431     0    0.029   1.452    54.513    0.000    0.000
LGA    V   113_A      V   113_B    41.584     0    0.704   0.610    42.001    0.000    0.000
LGA    V   114_A      V   114_B    38.915     0    0.563   0.601    40.367    0.000    0.000
LGA    F   115_A      F   115_B    38.730     0    0.648   0.873    40.746    0.000    0.000
LGA    I   116_A      I   116_B    42.801     0    0.066   0.607    47.262    0.000    0.000
LGA    Y   117_A      Y   117_B    37.173     0    0.660   0.636    40.695    0.000    0.000
LGA    S   118_A      S   118_B    34.110     0    0.626   0.745    35.165    0.000    0.000
LGA    G   119_A      G   119_B    34.778     0    0.036   0.036    35.882    0.000    0.000
LGA    G   120_A      G   120_B    37.100     0    0.643   0.643    39.439    0.000    0.000
LGA    G   121_A      G   121_B    38.016     0    0.460   0.460    38.505    0.000    0.000
LGA    P   122_A      P   122_B    40.944     0    0.594   0.595    42.763    0.000    0.000
LGA    S   123_A      S   123_B    38.809     0    0.034   0.090    40.940    0.000    0.000
LGA    V   124_A      V   124_B    39.736     0    0.200   1.187    40.167    0.000    0.000
LGA    S   125_A      S   125_B    40.641     0    0.076   0.164    44.713    0.000    0.000
LGA    L   126_A      L   126_B    39.539     0    0.155   0.990    41.457    0.000    0.000
LGA    E   127_A      E   127_B    45.584     0    0.039   1.203    48.823    0.000    0.000
LGA    T   128_A      T   128_B    45.396     0    0.031   0.359    46.358    0.000    0.000
LGA    F   129_A      F   129_B    39.767     0    0.038   1.415    41.568    0.000    0.000
LGA    K   130_A      K   130_B    41.874     0    0.097   0.745    45.508    0.000    0.000
LGA    D   131_A      D   131_B    46.507     0    0.074   0.812    50.809    0.000    0.000
LGA    M   132_A      M   132_B    43.586     0    0.034   0.910    44.320    0.000    0.000
LGA    C   133_A      C   133_B    39.728     0    0.044   0.067    41.085    0.000    0.000
LGA    K   134_A      K   134_B    44.238     0    0.213   0.335    51.747    0.000    0.000
LGA    R   135_A      R   135_B    46.816     0    0.597   1.107    51.413    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       99     396    396  100.00     812    812  100.00               300
SUMMARY(RMSD_GDC):    14.825         14.897                 15.430            3.947    3.095

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   99  300    4.0     17    2.60     6.667     5.725     0.630

LGA_LOCAL      RMSD:   2.597  Number of atoms:   17  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  30.121  Number of assigned atoms:   99 
Std_ASGN_ATOMS RMSD:  14.825  Standard rmsd on all 99 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.765873 * X  +  -0.218063 * Y  +   0.604886 * Z  + -54.300426
  Y_new =   0.259400 * X  +   0.965570 * Y  +   0.019654 * Z  +  16.839708
  Z_new =  -0.588345 * X  +   0.141855 * Y  +   0.796070 * Z  + -53.515888 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.326571  0.629011  0.176343   [DEG:   18.7111   36.0397   10.1037 ]
ZXZ:  1.603276  0.650023 -1.334203   [DEG:   91.8610   37.2436  -76.4442 ]
 
# END of job
