==== 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 13-AUG-01 1JRB . 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) . 23593.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 417 67.0 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 . 35 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 175 28.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.4 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 4 0 1 1 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 -15.5 34.1 19.5 -5.2 2 2 A L + 0 0 3 10,-0.3 9,-0.1 298,-0.2 298,-0.1 0.363 360.0 143.8-104.3 6.9 31.0 19.3 -3.0 3 3 A N - 0 0 107 10,-0.1 298,-0.4 1,-0.1 2,-0.4 -0.176 30.5-169.9 -47.1 136.6 28.9 21.9 -4.7 4 4 A T E -A 11 0A 12 7,-2.3 7,-2.9 9,-0.1 2,-0.5 -0.979 22.3-149.7-134.9 142.7 25.3 20.7 -4.6 5 5 A T E +A 10 0A 77 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.955 29.7 158.2-109.8 129.2 22.0 21.8 -6.2 6 6 A F E > +A 9 0A 0 3,-2.4 3,-2.4 -2,-0.5 -2,-0.1 -0.986 64.0 1.5-150.9 138.3 18.8 21.1 -4.2 7 7 A A T 3 S- 0 0 19 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.868 128.8 -62.5 54.7 35.8 15.3 22.5 -4.2 8 8 A N T 3 S+ 0 0 166 1,-0.2 -1,-0.3 -3,-0.0 2,-0.3 0.572 116.9 109.2 60.0 22.0 16.6 24.6 -7.1 9 9 A A E < -A 6 0A 21 -3,-2.4 -3,-2.4 84,-0.0 2,-0.5 -0.770 66.5-123.3-121.5 162.9 19.2 26.4 -4.9 10 10 A K E -A 5 0A 150 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.895 25.2-175.0-112.1 134.0 22.9 26.1 -4.8 11 11 A F E -A 4 0A 2 -7,-2.9 -7,-2.3 -2,-0.5 83,-0.1 -0.919 31.4-129.9-125.1 148.1 24.9 25.1 -1.7 12 12 A A S S- 0 0 53 26,-0.4 -10,-0.3 -2,-0.3 -1,-0.1 0.803 92.4 -8.9 -66.2 -28.2 28.6 24.9 -1.2 13 13 A N S S- 0 0 9 2,-0.1 -1,-0.2 -10,-0.1 -9,-0.1 -0.960 72.4-110.7-161.9 163.3 28.4 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 0.606 74.4 115.4 -84.1 -3.8 25.5 19.1 1.2 15 15 A F E +b 268 0B 0 252,-0.2 24,-1.5 21,-0.2 23,-1.0 -0.483 31.1 156.3 -83.8 144.7 26.1 19.1 5.0 16 16 A M E -b 269 0B 0 252,-2.0 254,-1.6 -2,-0.2 24,-0.2 -0.875 44.2 -98.7-142.0 169.4 23.7 20.5 7.5 17 17 A N E -b 270 0B 0 22,-0.3 2,-0.3 -2,-0.3 254,-0.2 -0.473 44.4-112.3 -85.2 155.7 22.9 20.0 11.2 18 18 A A > - 0 0 6 252,-2.1 3,-2.0 -2,-0.2 23,-0.0 -0.803 42.2 -90.3 -81.5 147.1 19.9 17.8 11.9 19 19 A S T 3 S+ 0 0 16 -2,-0.3 24,-0.2 1,-0.3 23,-0.1 -0.206 115.6 32.2 -57.3 140.2 16.9 19.5 13.4 20 20 A G T 3 S+ 0 0 34 21,-0.2 2,-0.5 1,-0.2 -1,-0.3 0.120 99.7 96.0 100.0 -31.3 17.1 19.4 17.2 21 21 A V S < S- 0 0 19 -3,-2.0 -1,-0.2 1,-0.2 249,-0.1 -0.908 103.7 -23.0-104.2 121.9 20.9 19.6 17.3 22 22 A H S S+ 0 0 46 -2,-0.5 10,-0.2 1,-0.1 -1,-0.2 0.825 114.1 93.6 57.6 41.9 22.7 22.9 17.8 23 23 A C + 0 0 1 -3,-0.2 20,-2.3 8,-0.1 -1,-0.1 -0.074 44.4 101.0-155.5 29.2 19.8 25.0 16.5 24 24 A M S S+ 0 0 55 18,-0.2 50,-0.4 -4,-0.1 2,-0.3 0.924 80.8 34.9 -93.6 -34.8 17.6 26.1 19.4 25 25 A T S > S- 0 0 43 1,-0.1 4,-2.5 48,-0.1 5,-0.2 -0.797 84.6-108.4-114.6 164.5 18.6 29.7 19.9 26 26 A I H > S+ 0 0 63 -2,-0.3 4,-2.6 1,-0.2 5,-0.3 0.891 121.2 56.1 -48.8 -43.7 19.7 32.5 17.6 27 27 A E H > S+ 0 0 138 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.951 106.6 47.9 -59.5 -43.1 23.2 32.1 19.0 28 28 A D H > S+ 0 0 37 -3,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.963 112.5 49.9 -56.8 -55.6 23.3 28.4 18.0 29 29 A L H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.901 108.5 52.1 -53.2 -38.2 21.9 29.2 14.5 30 30 A E H X S+ 0 0 77 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.881 106.5 54.8 -68.3 -33.5 24.6 32.0 14.0 31 31 A E H X S+ 0 0 80 -4,-1.7 4,-1.0 -5,-0.3 -1,-0.2 0.911 108.8 46.8 -66.2 -36.6 27.3 29.5 15.0 32 32 A L H >< S+ 0 0 1 -4,-1.9 3,-0.5 2,-0.2 5,-0.4 0.910 110.9 52.9 -70.3 -41.3 26.0 27.1 12.3 33 33 A K H 3< S+ 0 0 71 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.940 110.9 47.6 -53.0 -46.0 26.0 30.0 9.8 34 34 A A H 3< S+ 0 0 87 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.720 103.1 78.1 -64.8 -22.4 29.6 30.8 10.8 35 35 A S S << S- 0 0 26 -4,-1.0 245,-0.1 -3,-0.5 -3,-0.0 -0.219 98.8 -97.9 -83.1-174.2 30.7 27.2 10.4 36 36 A Q S S+ 0 0 116 243,-0.4 -21,-0.2 -24,-0.0 -1,-0.1 0.402 75.4 131.8 -83.5 8.2 31.4 25.3 7.1 37 37 A A - 0 0 17 -5,-0.4 -21,-0.2 1,-0.2 -25,-0.1 -0.331 58.7-137.8 -54.9 144.0 28.0 23.7 7.0 38 38 A G S S- 0 0 10 -23,-1.0 -26,-0.4 -27,-0.1 2,-0.3 0.799 80.5 -13.3 -72.6 -31.9 26.4 24.1 3.5 39 39 A A - 0 0 1 -24,-1.5 -22,-0.3 -28,-0.1 2,-0.3 -0.923 65.8-145.7-158.7 174.8 23.0 24.8 5.1 40 40 A Y - 0 0 3 55,-0.4 57,-2.2 -2,-0.3 2,-0.3 -0.984 2.9-146.2-151.8 160.6 21.2 24.7 8.4 41 41 A I B -c 97 0B 0 -2,-0.3 57,-0.2 55,-0.2 -21,-0.2 -0.945 20.2-118.5-133.1 146.3 17.9 24.0 9.9 42 42 A T - 0 0 0 55,-1.7 57,-0.3 -2,-0.3 -18,-0.2 -0.366 42.1 -86.6 -73.7 159.2 16.0 25.4 12.9 43 43 A K - 0 0 21 -20,-2.3 -1,-0.2 -24,-0.2 -24,-0.1 -0.343 58.6 -91.9 -51.2 138.4 14.8 23.4 15.9 44 44 A S - 0 0 5 -2,-0.2 56,-0.3 56,-0.1 2,-0.3 -0.263 55.9-150.5 -52.1 130.4 11.3 22.0 15.2 45 45 A S B -d 100 0B 0 54,-1.6 56,-3.1 -3,-0.1 2,-0.3 -0.636 18.9-158.8-114.3 162.2 8.9 24.5 16.6 46 46 A T - 0 0 2 -2,-0.3 30,-2.1 2,-0.2 56,-0.1 -0.765 40.3-102.7-121.9 167.1 5.5 24.6 18.0 47 47 A L S S+ 0 0 65 -2,-0.3 30,-0.5 28,-0.2 2,-0.3 0.901 107.8 44.5 -63.3 -43.0 3.1 27.7 18.2 48 48 A E S S- 0 0 156 27,-0.2 27,-0.3 28,-0.1 -2,-0.2 -0.770 99.1 -99.8 -99.0 148.3 3.9 28.2 21.9 49 49 A K - 0 0 155 -2,-0.3 2,-0.3 25,-0.3 25,-0.2 -0.252 42.4-158.3 -54.8 144.9 7.4 28.2 23.5 50 50 A R B -J 73 0C 79 23,-2.7 23,-1.7 1,-0.1 25,-0.1 -0.997 23.6-155.4-133.2 138.9 8.0 24.8 25.3 51 51 A E - 0 0 180 -2,-0.3 20,-0.1 1,-0.2 2,-0.1 0.746 41.4-148.7 -84.8 -24.3 10.4 23.9 28.1 52 52 A G - 0 0 21 19,-0.2 18,-0.3 18,-0.2 -1,-0.2 -0.379 36.5 -24.0 92.4-168.7 10.4 20.3 27.0 53 53 A N S S- 0 0 37 16,-2.6 4,-0.1 15,-0.2 3,-0.1 -0.355 73.3 -84.5 -84.8 162.2 10.9 17.3 29.3 54 54 A P - 0 0 66 0, 0.0 157,-0.2 0, 0.0 -1,-0.2 -0.149 63.5 -73.0 -54.6 151.4 12.5 16.9 32.7 55 55 A L S S+ 0 0 126 156,-0.1 2,-0.1 2,-0.1 155,-0.1 -0.480 109.3 57.2 -75.3 172.5 16.3 16.4 32.9 56 56 A A S S+ 0 0 46 -2,-0.1 155,-2.9 2,-0.1 3,-0.1 0.577 71.4 134.7 -37.7 119.7 18.2 13.7 32.2 57 57 A R + 0 0 44 1,-0.3 11,-3.6 153,-0.2 2,-0.3 0.529 58.8 43.4-125.1 -13.2 16.7 13.8 28.7 58 58 A Y E -K 67 0D 45 9,-0.3 2,-0.4 151,-0.1 -1,-0.3 -0.979 63.3-177.7-129.8 133.4 19.7 13.4 26.4 59 59 A V E -K 66 0D 34 7,-2.5 7,-1.9 -2,-0.3 2,-0.3 -0.984 23.0-133.4-134.4 127.3 22.5 10.9 26.9 60 60 A D E -K 65 0D 85 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.609 28.4-168.1 -66.5 131.4 25.7 10.3 24.9 61 61 A L E > -K 64 0D 10 3,-3.0 3,-1.3 -2,-0.3 139,-0.0 -0.842 34.8-113.6-120.7 157.7 26.3 6.5 24.3 62 62 A E T 3 S+ 0 0 187 -2,-0.3 160,-0.1 1,-0.3 -1,-0.1 0.898 120.7 32.6 -52.4 -43.0 29.4 4.7 22.9 63 63 A L T 3 S- 0 0 32 158,-0.1 160,-2.3 471,-0.1 2,-0.3 0.159 135.8 -56.5-103.2 11.6 27.4 3.8 19.8 64 64 A G E < -K 61 0D 2 -3,-1.3 -3,-3.0 157,-0.2 2,-0.3 -0.942 69.6 -65.5 160.2-123.1 25.2 6.9 19.5 65 65 A S E -KL 60 220D 4 155,-1.6 155,-2.2 -2,-0.3 2,-0.4 -0.962 21.3-145.8-156.8 160.0 22.7 8.7 21.7 66 66 A I E +KL 59 219D 0 -7,-1.9 -7,-2.5 -2,-0.3 2,-0.4 -0.989 26.9 176.3-128.6 141.3 19.3 8.3 23.3 67 67 A N E +KL 58 218D 41 151,-1.5 151,-2.4 -2,-0.4 -9,-0.3 -0.991 32.6 172.5-148.0 144.3 16.9 11.3 23.7 68 68 A S + 0 0 0 -11,-3.6 -15,-0.2 -2,-0.4 -10,-0.1 -0.308 23.9 159.7-136.6 70.2 13.5 12.3 24.9 69 69 A M - 0 0 45 -17,-0.1 -16,-2.6 1,-0.1 -1,-0.1 0.767 42.3-136.9 -62.6 -36.5 13.8 16.1 24.6 70 70 A G - 0 0 5 -18,-0.3 -18,-0.2 1,-0.1 -1,-0.1 0.735 56.7 -75.0 82.5 20.5 10.0 16.8 24.5 71 71 A L - 0 0 25 1,-0.2 2,-0.3 -20,-0.1 -19,-0.2 0.924 63.0-169.0 54.3 54.9 10.5 19.4 21.7 72 72 A P + 0 0 5 0, 0.0 2,-0.3 0, 0.0 -21,-0.2 -0.621 25.2 146.9 -65.4 128.2 11.9 22.2 23.9 73 73 A N B -J 50 0C 2 -23,-1.7 -23,-2.7 -2,-0.3 3,-0.1 -0.958 60.0-113.8-161.6 166.2 11.8 25.3 21.7 74 74 A L - 0 0 51 -50,-0.4 -25,-0.3 -2,-0.3 4,-0.3 0.410 69.3 -98.6 -86.8 3.3 11.4 29.0 21.7 75 75 A G >> - 0 0 3 -27,-0.3 4,-1.4 -31,-0.1 3,-0.6 0.082 34.0 -80.8 99.7 153.2 8.2 29.0 19.8 76 76 A F H 3> S+ 0 0 0 -30,-2.1 4,-2.6 1,-0.3 3,-0.3 0.933 122.2 56.2 -58.5 -50.8 7.2 29.5 16.1 77 77 A D H 3> S+ 0 0 91 -30,-0.5 4,-2.5 1,-0.2 -1,-0.3 0.868 104.9 54.4 -53.5 -37.2 7.2 33.3 16.2 78 78 A Y H <> S+ 0 0 70 -3,-0.6 4,-1.7 -4,-0.3 -1,-0.2 0.927 112.2 41.1 -62.9 -45.0 10.8 33.4 17.4 79 79 A Y H X S+ 0 0 0 -4,-1.4 4,-2.4 -3,-0.3 -2,-0.2 0.900 115.8 51.4 -68.9 -39.7 12.2 31.3 14.6 80 80 A L H X S+ 0 0 14 -4,-2.6 4,-3.0 1,-0.2 5,-0.3 0.975 109.5 49.3 -64.5 -48.1 10.1 33.0 12.0 81 81 A D H X S+ 0 0 89 -4,-2.5 4,-2.0 -5,-0.3 -1,-0.2 0.901 112.5 50.0 -55.4 -40.4 11.2 36.5 13.1 82 82 A Y H X S+ 0 0 16 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.932 113.5 42.2 -64.9 -50.4 14.9 35.3 13.0 83 83 A V H < S+ 0 0 2 -4,-2.4 4,-0.4 1,-0.2 -2,-0.2 0.924 113.8 53.4 -69.1 -38.4 14.8 33.8 9.4 84 84 A L H >X S+ 0 0 36 -4,-3.0 4,-1.4 1,-0.2 3,-0.7 0.876 111.1 45.9 -61.9 -36.3 12.7 36.8 8.1 85 85 A K H 3X S+ 0 0 137 -4,-2.0 4,-0.8 -5,-0.3 -1,-0.2 0.791 110.8 53.6 -75.9 -26.6 15.3 39.2 9.5 86 86 A N H 3<>S+ 0 0 22 -4,-1.6 5,-0.5 2,-0.2 -1,-0.2 0.449 106.6 51.4 -86.6 -6.0 18.1 37.1 8.0 87 87 A Q H <45S+ 0 0 52 -3,-0.7 -2,-0.2 -4,-0.4 -1,-0.2 0.729 102.8 61.2 -90.3 -36.4 16.6 37.1 4.6 88 88 A K H <5S+ 0 0 147 -4,-1.4 2,-0.7 1,-0.2 -2,-0.2 0.736 102.9 52.0 -61.9 -33.3 16.4 40.9 4.8 89 89 A E T <5S- 0 0 161 -4,-0.8 2,-0.5 2,-0.1 -1,-0.2 -0.921 102.5-132.4-105.6 105.2 20.2 41.1 5.1 90 90 A N T 5 + 0 0 145 -2,-0.7 2,-0.2 2,-0.0 -3,-0.1 -0.367 53.6 109.5 -75.7 109.0 21.1 39.0 2.1 91 91 A A < + 0 0 64 -2,-0.5 -2,-0.1 -5,-0.5 -3,-0.0 -0.614 28.4 79.1-179.3 114.1 23.7 36.3 2.6 92 92 A Q - 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