==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 09-AUG-01 1JQV . COMPND 2 MOLECULE: DIHYDROOROTATE DEHYDROGENASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: LACTOCOCCUS LACTIS; . AUTHOR S.NORAGER,S.ARENT,O.BJORNBERG,M.OTTOSEN,L.LO LEGGIO, . 622 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23736.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 418 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 68 10.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 46 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 34 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 178 28.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 2 0 0 2 2 2 4 2 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 0 4 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 2 6 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 2 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A M 0 0 67 0, 0.0 300,-0.7 0, 0.0 12,-0.1 0.000 360.0 360.0 360.0 -31.3 34.3 19.3 -5.6 2 2 A L + 0 0 5 10,-0.2 298,-0.1 298,-0.2 9,-0.1 0.361 360.0 144.9 -97.7 5.3 31.2 19.1 -3.4 3 3 A N - 0 0 111 10,-0.1 2,-0.4 1,-0.1 298,-0.3 -0.156 31.6-166.9 -45.8 129.3 29.1 21.8 -5.1 4 4 A T E -A 11 0A 13 7,-2.8 7,-3.1 9,-0.1 2,-0.5 -0.960 22.7-152.4-130.3 145.6 25.5 20.6 -4.9 5 5 A T E +A 10 0A 79 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.971 28.9 161.5-115.2 121.1 22.2 21.6 -6.5 6 6 A F E > -A 9 0A 0 3,-2.4 3,-2.0 -2,-0.5 -2,-0.0 -0.995 64.6 -1.6-145.0 134.6 19.1 20.9 -4.4 7 7 A A T 3 S- 0 0 20 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.871 128.6 -61.6 53.6 36.9 15.6 22.3 -4.5 8 8 A N T 3 S+ 0 0 170 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.686 117.2 110.5 63.3 20.5 16.8 24.4 -7.5 9 9 A A E < -A 6 0A 18 -3,-2.0 -3,-2.4 84,-0.0 2,-0.4 -0.836 66.7-121.3-120.7 159.9 19.3 26.1 -5.2 10 10 A K E -A 5 0A 149 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.866 25.6-174.6-106.2 136.6 23.1 26.0 -5.2 11 11 A F E -A 4 0A 3 -7,-3.1 -7,-2.8 -2,-0.4 83,-0.1 -0.963 31.1-133.0-128.0 144.4 25.0 24.9 -2.1 12 12 A A S S- 0 0 49 26,-0.4 -10,-0.2 -2,-0.4 -1,-0.1 0.850 92.4 -8.1 -62.7 -33.8 28.8 24.8 -1.5 13 13 A N S S- 0 0 9 2,-0.2 -1,-0.2 -10,-0.1 -10,-0.1 -0.974 70.1-110.2-156.6 163.5 28.5 21.3 -0.1 14 14 A P S S+ 0 0 0 0, 0.0 254,-3.1 0, 0.0 2,-0.1 0.613 76.2 114.2 -76.3 -11.8 25.7 18.8 0.9 15 15 A F E +b 268 0B 0 252,-0.2 24,-1.6 21,-0.1 23,-1.1 -0.363 32.8 154.8 -71.7 138.2 26.4 19.0 4.7 16 16 A M E -b 269 0B 0 252,-1.8 254,-2.2 22,-0.2 24,-0.2 -0.929 44.8 -98.8-147.5 167.2 23.9 20.4 7.2 17 17 A N E -b 270 0B 0 22,-0.4 2,-0.3 -2,-0.3 254,-0.2 -0.524 43.0-113.9 -83.7 160.2 23.0 20.0 10.8 18 18 A A > - 0 0 6 252,-2.0 3,-2.0 -2,-0.2 23,-0.1 -0.764 43.6 -91.0 -92.7 145.6 20.1 17.7 11.6 19 19 A S T 3 S+ 0 0 17 -2,-0.3 24,-0.2 1,-0.2 23,-0.1 -0.254 114.4 32.2 -55.6 142.4 17.1 19.5 13.1 20 20 A G T 3 S+ 0 0 35 21,-0.2 2,-0.5 1,-0.1 -1,-0.2 0.121 98.9 96.5 96.2 -21.3 17.3 19.6 16.9 21 21 A V S < S- 0 0 20 -3,-2.0 -1,-0.1 1,-0.2 249,-0.1 -0.907 102.6 -21.3-110.4 122.9 21.1 19.7 17.0 22 22 A H S S+ 0 0 47 -2,-0.5 -1,-0.2 1,-0.1 10,-0.2 0.842 114.3 91.9 54.5 41.5 22.9 23.1 17.4 23 23 A C + 0 0 0 -3,-0.2 20,-1.7 8,-0.1 -1,-0.1 0.084 43.4 106.3-151.3 26.8 20.0 25.1 16.1 24 24 A M S S+ 0 0 58 18,-0.2 50,-0.4 -4,-0.1 2,-0.2 0.918 81.6 30.5 -76.4 -46.4 17.9 26.1 19.2 25 25 A T S > S- 0 0 43 1,-0.1 4,-2.7 48,-0.1 5,-0.2 -0.658 83.9-107.2-113.6 168.8 18.9 29.8 19.4 26 26 A I H > S+ 0 0 66 1,-0.2 4,-2.4 -2,-0.2 5,-0.2 0.882 123.2 54.9 -59.1 -37.3 19.9 32.6 17.0 27 27 A E H > S+ 0 0 139 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.911 106.8 48.9 -64.1 -42.3 23.4 32.2 18.5 28 28 A D H > S+ 0 0 37 1,-0.2 4,-1.7 2,-0.2 3,-0.2 0.955 112.7 48.9 -60.1 -49.4 23.4 28.5 17.6 29 29 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.865 107.7 53.5 -58.7 -40.6 22.2 29.3 14.1 30 30 A E H X S+ 0 0 66 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.851 106.5 53.0 -65.4 -34.1 24.8 32.0 13.6 31 31 A E H X S+ 0 0 80 -4,-1.7 4,-1.2 -3,-0.2 -1,-0.2 0.874 109.3 49.4 -68.7 -34.5 27.5 29.5 14.5 32 32 A L H < S+ 0 0 1 -4,-1.7 5,-0.3 2,-0.2 3,-0.3 0.908 109.7 51.0 -69.4 -40.2 26.2 27.2 11.9 33 33 A K H < S+ 0 0 50 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.897 111.5 48.9 -62.6 -38.0 26.2 30.0 9.4 34 34 A A H < S+ 0 0 81 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.715 101.5 79.5 -74.0 -22.6 29.8 30.7 10.3 35 35 A S S < S- 0 0 22 -4,-1.2 245,-0.1 -3,-0.3 -3,-0.1 -0.032 98.4 -98.6 -75.1-174.6 30.8 27.0 10.0 36 36 A Q S S+ 0 0 110 243,-0.5 -21,-0.1 -24,-0.0 -1,-0.1 0.428 75.1 133.7 -87.2 0.0 31.6 25.2 6.7 37 37 A A - 0 0 17 -5,-0.3 -21,-0.2 1,-0.2 -25,-0.1 -0.254 58.4-138.8 -52.4 133.1 28.1 23.6 6.6 38 38 A G S S- 0 0 9 -23,-1.1 -26,-0.4 1,-0.2 2,-0.3 0.783 81.4 -15.2 -65.4 -26.0 26.7 23.9 3.1 39 39 A A - 0 0 3 -24,-1.6 -22,-0.4 -28,-0.1 2,-0.3 -0.970 66.2-142.2-165.8 168.2 23.4 24.8 4.7 40 40 A Y - 0 0 5 55,-0.3 57,-2.2 -2,-0.3 2,-0.3 -0.973 2.7-148.0-143.9 160.4 21.5 24.6 8.0 41 41 A I B -c 97 0B 0 -2,-0.3 57,-0.2 55,-0.2 -21,-0.2 -0.953 20.5-120.5-129.8 146.8 18.1 24.0 9.5 42 42 A T - 0 0 0 55,-1.7 -18,-0.2 -2,-0.3 57,-0.1 -0.320 41.4 -84.7 -80.6 165.6 16.3 25.4 12.6 43 43 A K - 0 0 21 -20,-1.7 56,-0.2 -24,-0.2 -1,-0.1 -0.426 58.4 -92.2 -66.5 141.2 15.0 23.4 15.5 44 44 A S - 0 0 4 56,-0.1 56,-0.3 -2,-0.1 2,-0.2 -0.395 55.1-152.5 -56.3 123.1 11.5 22.0 14.9 45 45 A S B -d 100 0B 0 54,-1.9 56,-2.6 -2,-0.1 2,-0.2 -0.657 14.9-157.9-104.5 161.0 9.2 24.7 16.2 46 46 A T - 0 0 1 2,-0.3 30,-2.0 -2,-0.2 56,-0.1 -0.731 40.2 -97.3-121.5 171.4 5.7 24.7 17.6 47 47 A L S S+ 0 0 58 -2,-0.2 30,-0.4 28,-0.2 2,-0.3 0.923 108.4 41.7 -58.7 -45.2 3.2 27.5 17.9 48 48 A E S S- 0 0 152 27,-0.2 27,-0.4 28,-0.1 -2,-0.3 -0.713 99.7 -93.9-104.6 156.8 4.2 28.3 21.5 49 49 A K - 0 0 159 25,-0.3 2,-0.4 -2,-0.3 25,-0.2 -0.348 44.6-152.5 -61.4 142.2 7.6 28.3 23.2 50 50 A R B -J 73 0C 75 23,-2.9 23,-1.5 1,-0.1 25,-0.1 -0.988 22.7-162.2-129.0 132.8 8.3 24.9 24.7 51 51 A E - 0 0 176 -2,-0.4 -1,-0.1 21,-0.2 2,-0.1 0.802 40.6-149.9 -76.4 -31.9 10.5 24.1 27.7 52 52 A G - 0 0 22 18,-0.2 18,-0.3 19,-0.2 -1,-0.2 -0.389 33.8 -28.9 90.7-172.0 10.7 20.5 26.8 53 53 A N S S- 0 0 49 16,-3.0 4,-0.1 15,-0.2 2,-0.0 -0.225 71.5 -87.1 -78.3 166.7 11.1 17.4 29.0 54 54 A P - 0 0 65 0, 0.0 157,-0.3 0, 0.0 -1,-0.1 -0.353 65.3 -68.5 -70.1 151.9 12.8 17.2 32.4 55 55 A L S S+ 0 0 118 156,-0.1 2,-0.1 1,-0.1 155,-0.1 -0.539 108.7 51.6 -88.5 157.4 16.6 16.5 32.5 56 56 A P + 0 0 59 0, 0.0 155,-2.8 0, 0.0 3,-0.1 0.527 68.9 140.5 -77.9 141.0 18.5 14.4 31.9 57 57 A R + 0 0 43 1,-0.3 11,-2.3 153,-0.2 2,-0.4 0.383 60.1 48.1-127.3 -2.4 16.9 14.0 28.4 58 58 A Y E +K 67 0D 46 9,-0.2 2,-0.4 151,-0.1 -1,-0.3 -0.991 60.4 179.7-141.7 134.0 20.0 13.5 26.2 59 59 A V E -K 66 0D 35 7,-2.2 7,-1.6 -2,-0.4 2,-0.3 -0.994 25.1-131.2-139.3 130.5 22.9 11.1 26.8 60 60 A D E -K 65 0D 84 -2,-0.4 2,-0.3 5,-0.2 5,-0.3 -0.601 29.4-164.9 -76.2 136.3 26.0 10.4 24.7 61 61 A L E > -K 64 0D 10 3,-3.2 3,-1.5 -2,-0.3 139,-0.0 -0.870 33.0-113.2-121.7 156.7 26.5 6.7 24.1 62 62 A E T 3 S+ 0 0 186 -2,-0.3 160,-0.1 1,-0.3 -1,-0.1 0.868 121.1 32.0 -54.9 -36.9 29.5 4.8 22.9 63 63 A L T 3 S- 0 0 31 158,-0.1 160,-1.8 471,-0.1 2,-0.3 0.194 136.5 -58.7-107.2 16.5 27.6 3.9 19.7 64 64 A G E < -K 61 0D 2 -3,-1.5 -3,-3.2 157,-0.2 2,-0.3 -0.925 69.4 -66.1 153.6-125.7 25.5 7.0 19.4 65 65 A S E -KL 60 220D 4 155,-1.9 155,-2.2 -2,-0.3 2,-0.4 -0.988 20.2-146.1-163.2 163.3 22.9 8.8 21.6 66 66 A I E +KL 59 219D 0 -7,-1.6 -7,-2.2 -2,-0.3 2,-0.3 -0.994 26.8 169.5-136.4 139.3 19.5 8.5 23.1 67 67 A N E +KL 58 218D 44 151,-1.6 151,-2.3 -2,-0.4 -9,-0.2 -0.996 33.4 179.9-152.9 157.9 17.1 11.4 23.7 68 68 A S + 0 0 19 -11,-2.3 -15,-0.2 -2,-0.3 -10,-0.1 -0.495 24.0 162.1-152.6 65.2 13.6 12.5 24.6 69 69 A M - 0 0 47 -17,-0.1 -16,-3.0 1,-0.1 -11,-0.1 0.853 42.0-135.9 -60.7 -37.9 14.0 16.3 24.4 70 70 A G - 0 0 21 -18,-0.3 -18,-0.2 1,-0.1 -1,-0.1 0.787 55.6 -71.9 83.4 29.7 10.2 16.9 24.2 71 71 A L - 0 0 32 1,-0.2 2,-0.3 -19,-0.1 -19,-0.2 0.904 66.4-172.1 52.2 51.5 10.5 19.4 21.4 72 72 A P + 0 0 5 0, 0.0 2,-0.3 0, 0.0 -21,-0.2 -0.586 22.7 142.2 -73.5 135.3 12.0 22.3 23.4 73 73 A N B -J 50 0C 1 -23,-1.5 -23,-2.9 -2,-0.3 3,-0.1 -0.978 60.0-110.1-164.5 165.5 12.1 25.4 21.2 74 74 A L S S- 0 0 54 -50,-0.4 4,-0.3 -2,-0.3 -25,-0.3 0.322 70.2 -93.4 -89.3 9.9 11.6 29.2 21.3 75 75 A G > - 0 0 4 -27,-0.4 4,-1.5 2,-0.1 3,-0.4 0.128 34.5 -83.8 95.1 149.4 8.3 29.2 19.3 76 76 A F H > S+ 0 0 1 -30,-2.0 4,-3.0 1,-0.2 5,-0.2 0.907 122.7 54.5 -53.3 -52.2 7.4 29.7 15.7 77 77 A D H > S+ 0 0 86 -30,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.835 104.9 55.4 -54.7 -37.1 7.4 33.5 15.7 78 78 A Y H > S+ 0 0 69 -3,-0.4 4,-1.6 -4,-0.3 -1,-0.2 0.931 113.7 39.2 -62.7 -47.6 11.0 33.5 17.0 79 79 A Y H X S+ 0 0 0 -4,-1.5 4,-2.6 -3,-0.2 5,-0.3 0.920 115.1 52.1 -70.9 -42.8 12.3 31.4 14.2 80 80 A L H X S+ 0 0 14 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.921 110.4 48.7 -58.8 -45.4 10.2 33.0 11.5 81 81 A D H X S+ 0 0 81 -4,-2.4 4,-1.7 -5,-0.2 -1,-0.2 0.884 111.5 51.3 -62.5 -38.7 11.4 36.5 12.5 82 82 A Y H X S+ 0 0 11 -4,-1.6 4,-1.9 -5,-0.2 5,-0.2 0.966 112.1 42.9 -62.9 -55.6 15.0 35.2 12.5 83 83 A V H X S+ 0 0 1 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.837 111.2 56.6 -62.0 -33.4 15.0 33.7 9.0 84 84 A L H X S+ 0 0 38 -4,-2.1 4,-1.0 -5,-0.3 -1,-0.2 0.900 109.6 45.3 -65.1 -39.8 13.1 36.7 7.6 85 85 A K H X S+ 0 0 144 -4,-1.7 4,-0.7 -3,-0.2 -2,-0.2 0.854 114.3 46.8 -72.3 -37.2 15.8 39.1 8.8 86 86 A N H >X>S+ 0 0 19 -4,-1.9 4,-0.9 1,-0.2 5,-0.5 0.828 103.1 64.1 -73.4 -31.6 18.7 37.0 7.5 87 87 A Q H ><5S+ 0 0 51 -4,-2.0 3,-0.5 1,-0.2 -1,-0.2 0.880 101.7 52.2 -57.0 -38.9 16.9 36.5 4.2 88 88 A K H 3<5S+ 0 0 165 -4,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.760 99.8 60.8 -70.1 -29.4 17.3 40.2 3.7 89 89 A E H <<5S- 0 0 120 -4,-0.7 -1,-0.2 -3,-0.5 -2,-0.2 0.728 84.0-153.5 -73.3 -21.9 21.0 40.4 4.4 90 90 A N T <<5 + 0 0 142 -4,-0.9 -3,-0.1 -3,-0.5 -2,-0.1 0.869 50.0 135.4 48.5 40.2 21.9 38.1 1.5 91 91 A A < + 0 0 66 -5,-0.5 2,-0.2 1,-0.1 -1,-0.2 -0.244 54.6 62.8-109.0 41.7 25.0 37.1 3.4 92 92 A Q S S- 0 0 58 -5,-0.1 2,-0.6 -6,-0.1 -1,-0.1 -0.826 74.6-133.2-168.1 122.6 24.6 33.4 2.7 93 93 A E S S+ 0 0 125 -2,-0.2 -81,-0.3 2,-0.0 -84,-0.0 -0.698 81.9 23.3 -82.8 120.6 24.6 31.2 -0.4 94 94 A G S S- 0 0 20 -2,-0.6 -83,-0.1 -83,-0.1 28,-0.1 0.226 96.4 -79.4 99.4 136.2 21.6 28.9 -0.4 95 95 A P - 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