==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 09-AUG-01 1JQX . COMPND 2 MOLECULE: DIHYDROOROTATE DEHYDROGENASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: LACTOCOCCUS LACTIS; . AUTHOR S.NORAGER,S.ARENT,O.BJORNBERG,M.OTTOSEN,L.LO LEGGIO,K.F.JENS . 622 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23262.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 413 66.4 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 . 33 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 177 28.5 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 4 3 3 0 0 0 2 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 64 0, 0.0 300,-0.7 0, 0.0 12,-0.1 0.000 360.0 360.0 360.0 -34.0 34.2 19.3 -5.7 2 2 A L + 0 0 4 10,-0.2 298,-0.1 298,-0.2 9,-0.1 0.308 360.0 145.4 -93.5 7.5 31.2 19.1 -3.4 3 3 A N - 0 0 102 10,-0.1 2,-0.4 1,-0.1 298,-0.3 -0.202 30.9-166.9 -48.8 130.8 29.0 21.7 -5.2 4 4 A T E -A 11 0A 12 7,-2.7 7,-2.9 9,-0.1 2,-0.5 -0.960 22.3-152.9-131.0 142.6 25.4 20.6 -4.9 5 5 A T E +A 10 0A 69 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.965 29.5 159.0-112.7 125.4 22.1 21.6 -6.6 6 6 A F E > +A 9 0A 0 3,-2.6 3,-1.8 -2,-0.5 -2,-0.0 -0.989 63.4 0.9-149.4 136.1 19.0 20.9 -4.4 7 7 A A T 3 S- 0 0 18 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.859 127.4 -62.1 53.1 37.1 15.5 22.3 -4.5 8 8 A N T 3 S+ 0 0 170 1,-0.3 2,-0.3 -3,-0.0 -1,-0.3 0.664 118.7 107.9 59.4 23.4 16.6 24.5 -7.5 9 9 A A E < -A 6 0A 19 -3,-1.8 -3,-2.6 86,-0.0 2,-0.4 -0.825 67.4-122.6-122.0 155.9 19.1 26.2 -5.3 10 10 A K E -A 5 0A 142 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.879 24.0-175.1-109.1 136.3 22.9 25.9 -5.2 11 11 A F E -A 4 0A 2 -7,-2.9 -7,-2.7 -2,-0.4 83,-0.1 -0.956 31.1-131.4-128.4 146.7 25.0 24.9 -2.2 12 12 A A S S- 0 0 52 26,-0.4 -10,-0.2 -2,-0.3 -1,-0.1 0.807 92.5 -8.5 -65.2 -32.8 28.8 24.8 -1.7 13 13 A N S S- 0 0 10 2,-0.1 -1,-0.2 -10,-0.1 -10,-0.1 -0.959 71.8-109.6-156.9 164.9 28.6 21.3 -0.2 14 14 A P S S+ 0 0 0 0, 0.0 254,-2.9 0, 0.0 2,-0.2 0.584 75.6 113.7 -79.8 -8.7 25.8 18.9 0.8 15 15 A F E +b 268 0B 0 252,-0.2 24,-1.7 21,-0.2 23,-1.5 -0.404 32.4 154.1 -74.9 138.1 26.4 19.0 4.6 16 16 A M E -b 269 0B 0 252,-1.9 254,-2.0 22,-0.2 24,-0.2 -0.900 45.3 -96.1-146.1 170.3 24.0 20.5 7.1 17 17 A N E -b 270 0B 0 22,-0.4 2,-0.3 -2,-0.3 254,-0.2 -0.539 43.1-113.5 -84.3 161.0 23.1 20.1 10.8 18 18 A A > - 0 0 6 252,-2.0 3,-2.1 -2,-0.2 23,-0.1 -0.759 43.8 -91.9 -91.9 143.4 20.2 17.8 11.5 19 19 A S T 3 S+ 0 0 16 -2,-0.3 24,-0.2 1,-0.2 23,-0.1 -0.263 114.3 33.5 -55.5 142.1 17.1 19.6 13.0 20 20 A G T 3 S+ 0 0 31 21,-0.2 2,-0.5 1,-0.1 -1,-0.2 0.106 98.9 95.7 98.6 -21.1 17.3 19.7 16.8 21 21 A V S < S- 0 0 20 -3,-2.1 -1,-0.1 1,-0.2 249,-0.1 -0.916 102.1 -20.4-112.5 122.4 21.1 19.9 17.0 22 22 A H S S+ 0 0 47 -2,-0.5 10,-0.2 1,-0.1 -1,-0.2 0.836 113.1 93.2 56.1 41.1 22.9 23.2 17.4 23 23 A C + 0 0 1 -3,-0.2 20,-1.7 8,-0.1 -3,-0.1 0.054 41.9 106.4-151.0 31.8 20.0 25.2 16.1 24 24 A M S S+ 0 0 51 18,-0.1 50,-0.4 -4,-0.1 2,-0.2 0.899 81.3 29.2 -81.0 -44.2 17.9 26.3 19.1 25 25 A T S > S- 0 0 44 1,-0.1 4,-2.6 48,-0.1 5,-0.2 -0.671 83.4-105.9-116.7 170.0 18.9 30.0 19.2 26 26 A I H > S+ 0 0 57 1,-0.2 4,-2.6 -2,-0.2 5,-0.2 0.904 122.7 55.2 -58.4 -40.7 19.9 32.8 16.9 27 27 A E H > S+ 0 0 133 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.914 107.8 47.6 -60.3 -43.7 23.4 32.4 18.4 28 28 A D H > S+ 0 0 38 1,-0.2 4,-1.7 2,-0.2 3,-0.3 0.939 112.8 49.4 -61.4 -48.0 23.4 28.6 17.5 29 29 A L H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.870 108.2 52.3 -61.1 -38.8 22.2 29.4 14.0 30 30 A E H X S+ 0 0 102 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.824 106.4 54.7 -68.9 -28.6 24.8 32.1 13.4 31 31 A E H X S+ 0 0 83 -4,-1.5 4,-1.1 -3,-0.3 -1,-0.2 0.873 108.6 48.4 -71.1 -35.1 27.5 29.6 14.5 32 32 A L H < S+ 0 0 1 -4,-1.7 5,-0.4 2,-0.2 3,-0.2 0.891 109.6 53.1 -70.6 -36.1 26.2 27.2 11.8 33 33 A K H < S+ 0 0 52 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.903 110.4 47.3 -63.4 -40.8 26.3 30.1 9.3 34 34 A A H < S+ 0 0 81 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.707 102.3 82.2 -74.2 -19.9 29.9 30.8 10.1 35 35 A S S < S- 0 0 21 -4,-1.1 245,-0.1 -3,-0.2 -3,-0.1 -0.074 98.0-100.2 -75.2-178.9 30.9 27.1 9.9 36 36 A Q S S+ 0 0 108 243,-0.5 -21,-0.2 -24,-0.0 -1,-0.1 0.391 74.9 133.8 -86.5 5.1 31.6 25.2 6.6 37 37 A A - 0 0 17 -5,-0.4 -21,-0.2 1,-0.2 -25,-0.1 -0.287 57.6-139.2 -56.5 136.1 28.2 23.7 6.5 38 38 A G S S- 0 0 8 -23,-1.5 -26,-0.4 1,-0.2 2,-0.3 0.819 81.3 -13.4 -66.1 -31.4 26.6 23.9 3.0 39 39 A A - 0 0 3 -24,-1.7 -22,-0.4 -28,-0.1 2,-0.3 -0.960 66.0-145.2-159.7 168.6 23.3 24.8 4.6 40 40 A Y - 0 0 7 55,-0.3 57,-2.2 -2,-0.3 2,-0.3 -0.973 3.3-148.8-144.7 161.1 21.5 24.7 7.9 41 41 A I B -c 97 0B 0 -2,-0.3 57,-0.2 55,-0.2 -21,-0.2 -0.949 20.4-116.3-131.8 148.8 18.1 24.1 9.4 42 42 A T - 0 0 0 55,-1.6 -18,-0.1 -2,-0.3 57,-0.1 -0.358 41.1 -88.3 -80.9 161.9 16.2 25.5 12.5 43 43 A K - 0 0 17 -20,-1.7 56,-0.2 -24,-0.2 -1,-0.1 -0.422 59.3 -91.2 -63.5 142.4 15.0 23.5 15.5 44 44 A S - 0 0 5 56,-0.1 56,-0.3 54,-0.1 2,-0.3 -0.383 55.5-151.5 -57.3 128.9 11.5 22.1 14.8 45 45 A S B -d 100 0B 0 54,-1.7 56,-2.7 -2,-0.1 2,-0.3 -0.701 16.5-153.7-111.7 161.3 9.1 24.7 16.1 46 46 A T - 0 0 4 2,-0.3 30,-2.1 -2,-0.3 56,-0.1 -0.747 42.7 -96.5-117.6 166.5 5.6 24.8 17.6 47 47 A L S S+ 0 0 47 -2,-0.3 30,-0.6 28,-0.2 29,-0.3 0.920 109.4 28.1 -51.2 -47.8 3.3 27.8 17.4 48 48 A E S S- 0 0 137 27,-0.2 27,-0.4 28,-0.1 -2,-0.3 -0.719 103.6 -79.0-113.0 164.4 4.3 28.9 20.9 49 49 A K - 0 0 154 25,-0.3 2,-0.4 -2,-0.2 25,-0.2 -0.283 46.9-154.6 -61.3 143.2 7.5 28.5 22.9 50 50 A R B -J 73 0C 74 23,-2.7 23,-1.9 1,-0.1 25,-0.1 -0.980 17.4-153.3-131.5 130.3 8.0 25.1 24.5 51 51 A E - 0 0 184 -2,-0.4 -1,-0.1 21,-0.2 20,-0.1 0.772 36.4-145.2 -62.5 -54.5 9.9 24.0 27.6 52 52 A G - 0 0 21 18,-0.3 18,-0.3 19,-0.2 -1,-0.1 -0.178 32.3 -43.3 115.4-178.3 10.7 20.4 26.8 53 53 A N - 0 0 28 16,-2.7 4,-0.1 15,-0.2 15,-0.1 -0.262 69.8 -83.3 -76.5 163.9 11.0 17.3 28.9 54 54 A P - 0 0 81 0, 0.0 157,-0.3 0, 0.0 -1,-0.1 -0.263 65.2 -70.8 -63.4 148.9 12.8 17.1 32.3 55 55 A L S S+ 0 0 127 156,-0.1 2,-0.1 155,-0.1 155,-0.1 -0.564 107.7 53.7 -91.8 155.7 16.6 16.5 32.4 56 56 A P + 0 0 56 0, 0.0 155,-2.9 0, 0.0 3,-0.1 0.446 68.4 145.2 -71.9 138.8 18.6 14.5 31.8 57 57 A A + 0 0 2 1,-0.2 11,-2.7 153,-0.2 2,-0.4 0.471 59.1 46.4-120.5 -8.9 17.1 14.2 28.4 58 58 A Y E -K 67 0D 44 9,-0.2 2,-0.4 151,-0.1 -1,-0.2 -0.999 59.6-179.5-138.2 135.1 20.2 13.6 26.2 59 59 A V E -K 66 0D 36 7,-2.2 7,-1.6 -2,-0.4 2,-0.3 -0.997 24.8-129.9-138.5 132.2 23.1 11.2 26.8 60 60 A D E -K 65 0D 87 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.632 29.6-167.2 -77.9 133.5 26.2 10.5 24.7 61 61 A L E > -K 64 0D 11 3,-2.8 3,-1.3 -2,-0.3 139,-0.0 -0.846 33.7-113.9-120.9 157.2 26.7 6.8 24.1 62 62 A E T 3 S+ 0 0 190 -2,-0.3 160,-0.1 1,-0.3 -1,-0.1 0.905 120.1 33.0 -55.0 -42.0 29.7 4.9 22.7 63 63 A L T 3 S- 0 0 31 158,-0.1 160,-1.8 471,-0.1 2,-0.3 0.238 135.7 -59.4-101.0 13.7 27.8 3.9 19.6 64 64 A G E < -K 61 0D 2 -3,-1.3 -3,-2.8 157,-0.2 2,-0.3 -0.921 69.6 -62.6 155.3-127.1 25.6 7.0 19.3 65 65 A S E -KL 60 220D 4 155,-1.8 155,-2.2 -2,-0.3 2,-0.4 -0.982 21.7-148.7-158.3 162.4 23.1 8.9 21.4 66 66 A I E +KL 59 219D 0 -7,-1.6 -7,-2.2 -2,-0.3 2,-0.3 -0.994 27.5 168.3-136.0 138.3 19.7 8.5 23.1 67 67 A N E +KL 58 218D 30 151,-1.5 151,-2.7 -2,-0.4 -9,-0.2 -0.999 34.2 179.8-155.7 152.1 17.4 11.4 23.7 68 68 A S + 0 0 0 -11,-2.7 -15,-0.2 -2,-0.3 -10,-0.1 -0.461 24.9 158.9-144.3 61.8 13.9 12.6 24.6 69 69 A M - 0 0 59 -17,-0.1 -16,-2.7 -12,-0.1 -11,-0.1 0.863 41.6-138.8 -57.4 -40.7 14.2 16.3 24.4 70 70 A G - 0 0 0 -18,-0.3 -18,-0.3 1,-0.1 -1,-0.1 0.792 53.5 -70.2 85.2 29.3 10.4 16.9 24.0 71 71 A L - 0 0 7 1,-0.2 2,-0.3 -19,-0.1 -19,-0.2 0.903 64.8-175.1 55.3 49.0 10.6 19.6 21.3 72 72 A P + 0 0 21 0, 0.0 2,-0.3 0, 0.0 -21,-0.2 -0.611 22.1 149.0 -72.3 133.8 12.0 22.4 23.4 73 73 A N B -J 50 0C 4 -23,-1.9 -23,-2.7 -2,-0.3 3,-0.1 -0.985 57.6-116.8-162.9 158.8 12.0 25.5 21.1 74 74 A L - 0 0 56 -50,-0.4 4,-0.3 -2,-0.3 -25,-0.3 0.344 68.3 -99.0 -85.4 8.5 11.6 29.2 21.1 75 75 A G > - 0 0 4 -27,-0.4 4,-1.7 -31,-0.1 3,-0.5 0.186 31.9 -79.3 92.3 150.4 8.4 29.3 19.1 76 76 A F H > S+ 0 0 0 -30,-2.1 4,-2.8 -29,-0.3 5,-0.2 0.882 123.1 53.7 -50.4 -51.9 7.4 29.9 15.5 77 77 A D H > S+ 0 0 104 -30,-0.6 4,-2.2 1,-0.2 -1,-0.2 0.856 106.3 54.4 -55.6 -39.1 7.6 33.7 15.5 78 78 A Y H > S+ 0 0 68 -3,-0.5 4,-1.9 -4,-0.3 -1,-0.2 0.950 113.2 40.2 -61.2 -51.3 11.1 33.6 16.8 79 79 A Y H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 5,-0.2 0.905 113.2 53.8 -68.8 -38.8 12.4 31.4 14.0 80 80 A L H X S+ 0 0 23 -4,-2.8 4,-2.3 1,-0.2 5,-0.3 0.928 108.3 51.1 -61.8 -41.7 10.4 33.1 11.3 81 81 A D H X S+ 0 0 73 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.913 110.4 49.4 -63.2 -41.4 11.9 36.5 12.4 82 82 A Y H X S+ 0 0 8 -4,-1.9 4,-2.8 1,-0.2 -2,-0.2 0.953 112.8 45.2 -61.8 -49.2 15.4 35.1 12.2 83 83 A V H X S+ 0 0 1 -4,-2.5 4,-1.0 2,-0.2 -2,-0.2 0.890 113.1 50.4 -64.1 -36.3 15.0 33.6 8.7 84 84 A L H X S+ 0 0 53 -4,-2.3 4,-2.1 -5,-0.2 3,-0.5 0.943 113.4 46.0 -66.6 -47.2 13.3 36.7 7.3 85 85 A K H X S+ 0 0 126 -4,-2.1 4,-1.1 -5,-0.3 -2,-0.2 0.886 112.7 48.0 -65.1 -38.1 16.0 38.8 8.6 86 86 A N H <>S+ 0 0 9 -4,-2.8 5,-0.7 1,-0.2 4,-0.3 0.654 110.4 56.0 -79.8 -5.7 18.9 36.6 7.4 87 87 A Q H ><5S+ 0 0 58 -4,-1.0 3,-1.1 -3,-0.5 -2,-0.2 0.872 103.2 51.5 -81.7 -46.0 17.1 36.5 4.0 88 88 A K H 3<5S+ 0 0 193 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.1 0.785 103.9 62.2 -63.0 -27.8 17.1 40.2 3.5 89 89 A E T 3<5S- 0 0 118 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.686 86.5-149.3 -74.7 -19.1 20.8 40.3 4.3 90 90 A N T < 5 + 0 0 147 -3,-1.1 -3,-0.1 -4,-0.3 -2,-0.1 0.955 49.4 140.0 48.4 50.0 22.0 38.2 1.3 91 91 A A < + 0 0 53 -5,-0.7 2,-0.3 1,-0.0 -1,-0.1 0.253 49.1 49.3-112.1 20.0 24.8 37.0 3.4 92 92 A Q S S- 0 0 51 -6,-0.1 2,-0.7 -5,-0.1 4,-0.1 -0.998 75.6-113.6-154.9 155.0 25.0 33.3 2.5 93 93 A E S S+ 0 0 121 -2,-0.3 -81,-0.3 2,-0.1 -2,-0.0 -0.799 89.2 13.0 -90.0 112.4 25.1 30.9 -0.4 94 94 A G S S- 0 0 21 -2,-0.7 -83,-0.1 -83,-0.1 28,-0.1 0.165 93.5 -74.7 100.1 142.6 21.9 28.9 -0.4 95 95 A P - 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