==== 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 24-AUG-01 1JUB . 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) . 23306.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 416 66.9 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 . 36 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 180 28.9 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 2 2 2 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 62 0, 0.0 300,-0.7 0, 0.0 12,-0.1 0.000 360.0 360.0 360.0 -44.0 -15.3 51.2 37.7 2 2 A L + 0 0 5 10,-0.2 298,-0.1 298,-0.2 9,-0.1 0.332 360.0 144.0 -90.8 7.0 -12.3 51.1 35.4 3 3 A N - 0 0 109 10,-0.1 2,-0.4 1,-0.1 298,-0.3 -0.200 31.8-167.2 -48.7 130.9 -10.1 53.7 37.1 4 4 A T E -A 11 0A 13 7,-2.7 7,-2.9 9,-0.1 2,-0.5 -0.970 22.2-151.8-131.7 142.3 -6.5 52.5 36.9 5 5 A T E +A 10 0A 70 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.958 29.7 159.5-111.6 125.1 -3.2 53.5 38.5 6 6 A F E > +A 9 0A 0 3,-2.5 3,-2.0 -2,-0.5 -2,-0.1 -0.988 63.4 1.0-149.2 135.6 -0.2 52.9 36.4 7 7 A A T 3 S- 0 0 13 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.869 128.8 -61.0 54.2 37.9 3.4 54.3 36.5 8 8 A N T 3 S+ 0 0 169 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.680 117.6 112.5 63.6 19.0 2.3 56.3 39.5 9 9 A A E < -A 6 0A 17 -3,-2.0 -3,-2.5 86,-0.0 2,-0.4 -0.844 66.0-121.8-121.2 158.5 -0.3 58.0 37.3 10 10 A K E -A 5 0A 152 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.851 26.3-177.8-104.1 133.4 -4.1 58.0 37.2 11 11 A F E -A 4 0A 6 -7,-2.9 -7,-2.7 -2,-0.4 83,-0.1 -0.962 31.6-133.1-128.4 145.4 -6.1 56.9 34.1 12 12 A A S S- 0 0 63 26,-0.4 -10,-0.2 81,-0.4 -1,-0.1 0.815 91.4 -8.9 -65.3 -32.6 -9.9 56.8 33.6 13 13 A N S S- 0 0 10 2,-0.2 -1,-0.2 -10,-0.1 -9,-0.1 -0.954 71.8-109.1-157.0 165.6 -9.7 53.3 32.2 14 14 A P S S+ 0 0 0 0, 0.0 254,-3.1 0, 0.0 2,-0.2 0.566 75.8 114.6 -80.2 -8.0 -6.9 50.9 31.1 15 15 A F E +b 268 0B 0 252,-0.2 24,-1.7 21,-0.2 23,-1.5 -0.416 31.8 153.4 -75.7 137.2 -7.5 51.0 27.4 16 16 A M E -b 269 0B 0 252,-2.1 254,-2.1 22,-0.2 24,-0.2 -0.909 45.8 -96.5-146.0 169.4 -5.1 52.5 24.9 17 17 A N E -b 270 0B 0 22,-0.4 2,-0.4 -2,-0.3 254,-0.2 -0.532 42.4-114.6 -83.7 160.2 -4.2 52.1 21.2 18 18 A A > - 0 0 5 252,-2.0 3,-2.1 -2,-0.2 23,-0.1 -0.776 43.1 -93.8 -92.0 143.0 -1.3 49.8 20.5 19 19 A S T 3 S+ 0 0 17 -2,-0.4 24,-0.2 1,-0.2 23,-0.1 -0.279 114.1 36.8 -56.7 143.1 1.6 51.6 19.0 20 20 A G T 3 S+ 0 0 34 21,-0.2 2,-0.5 1,-0.1 -1,-0.2 0.069 99.5 93.4 101.0 -22.6 1.5 51.5 15.2 21 21 A V S < S- 0 0 19 -3,-2.1 -1,-0.1 1,-0.2 249,-0.1 -0.918 102.6 -21.0-114.1 124.0 -2.3 51.8 15.0 22 22 A H S S+ 0 0 46 -2,-0.5 10,-0.2 1,-0.1 -1,-0.2 0.834 112.7 92.5 53.8 42.6 -4.1 55.1 14.7 23 23 A C + 0 0 1 -3,-0.2 20,-1.7 8,-0.1 -1,-0.1 0.118 43.0 105.3-150.9 26.3 -1.2 57.2 15.9 24 24 A M S S+ 0 0 53 18,-0.1 50,-0.4 -4,-0.1 2,-0.2 0.905 81.7 31.5 -76.8 -45.9 0.8 58.2 12.9 25 25 A T S > S- 0 0 41 1,-0.1 4,-2.5 48,-0.1 5,-0.2 -0.666 84.2-107.7-113.6 168.1 -0.1 61.9 12.7 26 26 A I H > S+ 0 0 63 1,-0.2 4,-2.6 -2,-0.2 5,-0.2 0.881 122.1 56.1 -59.4 -37.1 -1.1 64.7 15.1 27 27 A E H > S+ 0 0 145 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.912 106.7 48.3 -60.5 -45.1 -4.6 64.2 13.7 28 28 A D H > S+ 0 0 38 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.940 112.7 48.5 -60.4 -48.8 -4.7 60.6 14.6 29 29 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.878 109.0 52.8 -60.7 -39.6 -3.4 61.3 18.1 30 30 A E H X S+ 0 0 62 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.852 107.0 53.2 -66.0 -32.5 -6.0 64.1 18.6 31 31 A E H X S+ 0 0 89 -4,-1.8 4,-1.1 2,-0.2 -1,-0.2 0.874 109.2 48.6 -70.0 -35.3 -8.7 61.6 17.6 32 32 A L H < S+ 0 0 1 -4,-1.8 5,-0.4 2,-0.2 -2,-0.2 0.891 110.1 52.1 -70.1 -37.2 -7.4 59.2 20.2 33 33 A K H < S+ 0 0 60 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.896 110.5 48.2 -64.1 -39.0 -7.4 62.0 22.8 34 34 A A H < S+ 0 0 81 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.714 102.4 82.2 -73.8 -20.9 -11.0 62.8 21.9 35 35 A S S < S- 0 0 21 -4,-1.1 245,-0.1 -3,-0.2 -3,-0.1 -0.085 97.9-100.3 -75.8-179.8 -12.0 59.1 22.2 36 36 A Q S S+ 0 0 105 243,-0.5 -21,-0.2 -24,-0.0 -1,-0.1 0.417 75.8 132.7 -83.0 0.9 -12.8 57.2 25.4 37 37 A A - 0 0 17 -5,-0.4 -21,-0.2 1,-0.2 -25,-0.1 -0.259 58.1-139.7 -53.9 136.5 -9.3 55.6 25.5 38 38 A G S S- 0 0 9 -23,-1.5 -26,-0.4 1,-0.2 2,-0.3 0.803 80.6 -13.6 -68.8 -29.0 -7.8 55.9 28.9 39 39 A A - 0 0 3 -24,-1.7 -22,-0.4 -28,-0.1 2,-0.3 -0.963 66.0-145.7-161.3 169.1 -4.5 56.8 27.4 40 40 A Y - 0 0 7 55,-0.3 57,-2.3 -2,-0.3 2,-0.3 -0.973 3.4-146.2-145.9 162.0 -2.7 56.7 24.0 41 41 A I B -c 97 0B 0 -2,-0.3 57,-0.2 55,-0.2 -21,-0.2 -0.959 21.2-116.8-131.4 145.3 0.8 56.1 22.6 42 42 A T - 0 0 0 55,-2.0 57,-0.2 -2,-0.3 -18,-0.1 -0.332 42.5 -87.8 -76.8 160.8 2.6 57.5 19.6 43 43 A K - 0 0 19 -20,-1.7 -1,-0.1 -24,-0.2 56,-0.1 -0.439 58.5 -91.0 -64.5 139.2 3.7 55.6 16.6 44 44 A S - 0 0 4 56,-0.1 56,-0.3 -2,-0.1 2,-0.3 -0.316 55.8-152.9 -53.2 127.6 7.2 54.1 17.1 45 45 A S B -d 100 0B 0 54,-1.7 56,-2.7 -3,-0.1 2,-0.3 -0.720 17.4-158.5-112.4 161.0 9.6 56.7 15.8 46 46 A T - 0 0 3 2,-0.3 30,-2.4 -2,-0.3 56,-0.1 -0.782 41.3 -99.9-122.3 165.7 13.1 56.7 14.4 47 47 A L S S+ 0 0 67 -2,-0.3 30,-0.5 28,-0.2 2,-0.3 0.906 109.2 42.7 -56.0 -42.8 15.4 59.7 14.2 48 48 A E S S- 0 0 160 27,-0.2 27,-0.3 28,-0.1 -2,-0.3 -0.734 99.1 -97.8-105.0 155.2 14.5 60.3 10.6 49 49 A K - 0 0 151 25,-0.3 2,-0.4 -2,-0.3 25,-0.2 -0.385 42.0-155.3 -65.4 146.5 11.1 60.2 8.9 50 50 A R B -J 73 0C 80 23,-2.7 23,-1.5 1,-0.1 25,-0.1 -0.991 23.3-158.0-131.3 137.8 10.4 56.9 7.2 51 51 A E - 0 0 177 -2,-0.4 2,-0.1 1,-0.2 -1,-0.1 0.754 43.0-147.0 -81.1 -25.6 8.1 56.1 4.3 52 52 A G - 0 0 19 18,-0.2 18,-0.3 19,-0.2 -1,-0.2 -0.419 35.2 -28.5 90.1-169.5 8.0 52.4 5.3 53 53 A N S S- 0 0 44 16,-2.9 4,-0.1 15,-0.2 15,-0.0 -0.309 74.0 -84.6 -81.7 165.5 7.7 49.4 3.1 54 54 A P - 0 0 75 0, 0.0 157,-0.2 0, 0.0 -1,-0.1 -0.283 64.9 -68.2 -66.4 153.7 6.0 49.1 -0.3 55 55 A L S S+ 0 0 127 156,-0.1 2,-0.1 155,-0.1 155,-0.1 -0.625 108.1 51.8 -93.7 153.8 2.2 48.5 -0.5 56 56 A P + 0 0 58 0, 0.0 155,-3.1 0, 0.0 3,-0.1 0.458 69.1 142.3 -73.5 140.9 0.2 46.4 0.1 57 57 A R + 0 0 42 1,-0.3 11,-2.7 153,-0.2 2,-0.3 0.355 58.7 46.7-129.5 1.4 1.7 46.1 3.6 58 58 A Y E +K 67 0D 45 9,-0.2 2,-0.4 151,-0.2 -1,-0.3 -0.978 59.5 179.5-146.3 132.4 -1.4 45.6 5.8 59 59 A V E -K 66 0D 36 7,-2.4 7,-1.8 -2,-0.3 2,-0.3 -0.995 25.4-130.1-139.3 131.6 -4.3 43.2 5.3 60 60 A D E -K 65 0D 86 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.618 29.7-166.6 -76.7 133.8 -7.4 42.5 7.4 61 61 A L E > -K 64 0D 11 3,-2.8 3,-1.4 -2,-0.3 139,-0.0 -0.856 33.4-114.0-121.0 156.8 -7.9 38.8 8.0 62 62 A E T 3 S+ 0 0 185 -2,-0.3 160,-0.1 1,-0.3 -1,-0.1 0.898 120.3 33.7 -54.7 -41.3 -10.9 36.9 9.3 63 63 A L T 3 S- 0 0 30 158,-0.1 160,-1.8 471,-0.1 2,-0.3 0.198 136.2 -60.3-101.8 15.4 -8.9 35.9 12.4 64 64 A G E < S-K 61 0D 3 -3,-1.4 -3,-2.8 157,-0.2 2,-0.3 -0.926 70.1 -63.2 153.2-125.2 -6.9 39.1 12.7 65 65 A S E -KL 60 220D 5 155,-1.8 155,-2.1 -2,-0.3 2,-0.4 -0.987 21.4-148.1-160.7 162.6 -4.3 40.9 10.5 66 66 A I E +KL 59 219D 0 -7,-1.8 -7,-2.4 -2,-0.3 2,-0.3 -0.993 27.1 165.9-136.0 140.1 -0.9 40.6 8.9 67 67 A N E -KL 58 218D 39 151,-1.4 151,-2.7 -2,-0.4 -9,-0.2 -0.998 34.1-175.8-155.6 156.4 1.4 43.5 8.3 68 68 A S + 0 0 11 -11,-2.7 -15,-0.2 -2,-0.3 -10,-0.1 -0.493 24.7 163.5-147.5 64.6 4.9 44.5 7.3 69 69 A M - 0 0 44 -17,-0.1 -16,-2.9 1,-0.1 -11,-0.1 0.855 39.5-137.5 -56.6 -41.1 4.6 48.3 7.7 70 70 A G - 0 0 17 -18,-0.3 -18,-0.2 1,-0.1 -1,-0.1 0.775 54.9 -71.4 85.9 27.2 8.3 48.9 7.8 71 71 A L - 0 0 2 1,-0.2 2,-0.3 -19,-0.1 -19,-0.2 0.909 65.6-172.8 55.3 50.0 8.2 51.5 10.6 72 72 A P + 0 0 3 0, 0.0 2,-0.3 0, 0.0 -21,-0.2 -0.590 22.4 145.2 -73.5 131.7 6.6 54.3 8.6 73 73 A N B -J 50 0C 0 -23,-1.5 -23,-2.7 -2,-0.3 3,-0.1 -0.982 59.2-114.9-162.7 159.8 6.7 57.4 10.9 74 74 A L S S- 0 0 56 -50,-0.4 -25,-0.3 -2,-0.3 4,-0.3 0.348 70.5 -93.5 -84.5 8.1 7.1 61.2 10.8 75 75 A G >> - 0 0 4 -27,-0.3 4,-1.6 -31,-0.1 3,-0.7 0.188 33.8 -83.3 95.3 146.5 10.3 61.2 12.7 76 76 A F H 3> S+ 0 0 1 -30,-2.4 4,-2.8 1,-0.2 5,-0.2 0.887 123.2 53.9 -48.4 -52.6 11.3 61.6 16.4 77 77 A D H 3> S+ 0 0 110 -30,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.838 104.6 56.1 -56.1 -36.5 11.3 65.5 16.4 78 78 A Y H <> S+ 0 0 69 -3,-0.7 4,-1.7 -4,-0.3 -1,-0.2 0.957 113.1 39.3 -61.5 -51.3 7.7 65.5 15.1 79 79 A Y H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 5,-0.2 0.890 113.9 54.0 -68.3 -39.1 6.4 63.4 17.9 80 80 A L H X S+ 0 0 20 -4,-2.8 4,-2.3 1,-0.2 5,-0.2 0.929 109.0 49.3 -62.1 -43.1 8.5 65.0 20.6 81 81 A D H X S+ 0 0 73 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.896 110.9 50.7 -63.2 -39.7 7.2 68.5 19.6 82 82 A Y H X S+ 0 0 6 -4,-1.7 4,-2.5 1,-0.2 5,-0.3 0.970 113.3 43.1 -61.6 -54.9 3.6 67.2 19.7 83 83 A V H X S+ 0 0 1 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.849 113.0 53.1 -61.8 -35.2 3.8 65.7 23.1 84 84 A L H X S+ 0 0 43 -4,-2.3 4,-1.0 -5,-0.2 -1,-0.2 0.864 112.2 45.2 -68.5 -35.7 5.8 68.7 24.5 85 85 A K H X S+ 0 0 128 -4,-1.8 4,-0.8 -5,-0.2 -2,-0.2 0.900 114.4 46.5 -74.2 -42.6 3.1 71.1 23.3 86 86 A N H X>S+ 0 0 18 -4,-2.5 4,-0.8 1,-0.2 5,-0.6 0.817 104.2 64.3 -69.1 -29.6 0.1 69.1 24.5 87 87 A Q H ><5S+ 0 0 51 -4,-1.8 3,-0.9 -5,-0.3 -1,-0.2 0.910 100.7 50.7 -58.8 -43.5 1.9 68.6 27.9 88 88 A K H 3<5S+ 0 0 171 -4,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.758 100.3 64.4 -66.7 -27.6 1.7 72.3 28.5 89 89 A E H 3<5S- 0 0 114 -4,-0.8 -1,-0.2 -3,-0.4 -2,-0.2 0.744 84.2-154.5 -69.4 -23.8 -2.0 72.4 27.7 90 90 A N T <<5 + 0 0 143 -3,-0.9 -3,-0.1 -4,-0.8 -2,-0.1 0.861 50.6 134.1 49.1 37.8 -2.9 70.2 30.7 91 91 A A < + 0 0 63 -5,-0.6 2,-0.3 2,-0.0 -1,-0.2 -0.054 50.1 72.9-105.4 31.0 -6.0 69.2 28.7 92 92 A Q S S- 0 0 53 -5,-0.1 2,-0.9 -6,-0.1 4,-0.1 -0.973 71.2-133.8-153.4 135.7 -5.6 65.5 29.4 93 93 A E S S+ 0 0 166 -2,-0.3 -81,-0.4 2,-0.1 -2,-0.0 -0.739 84.1 14.2 -88.3 103.8 -6.1 63.1 32.2 94 94 A G S S- 0 0 18 -2,-0.9 -83,-0.1 -83,-0.1 28,-0.1 0.145 95.5 -77.2 106.2 137.0 -3.0 60.8 32.3 95 95 A P - 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