==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 23-JUL-11 3T2Y . COMPND 2 MOLECULE: SULFIDE-QUINONE REDUCTASE, PUTATIVE; . SOURCE 2 ORGANISM_SCIENTIFIC: ACIDITHIOBACILLUS FERROOXIDANS; . AUTHOR M.M.CHERNEY,Y.ZHANG,M.N.G.JAMES,J.H.WEINER . 407 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17452.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 279 68.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 10.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 55 13.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 29 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 94 23.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.5 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 2 0 2 0 0 0 0 1 1 0 0 1 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 1 3 3 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 . 3 1 2 1 0 2 2 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 4 0 1 1 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 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 0 153 0, 0.0 2,-0.3 0, 0.0 27,-0.2 0.000 360.0 360.0 360.0 147.7 12.5 -27.4 4.6 2 2 A A - 0 0 7 25,-0.2 27,-2.2 338,-0.0 2,-0.6 -0.907 360.0-138.1-126.9 149.4 16.2 -28.1 4.0 3 3 A H E -a 29 0A 19 -2,-0.3 96,-2.7 25,-0.2 97,-1.9 -0.924 21.7-169.3-105.6 111.7 19.2 -29.3 6.0 4 4 A V E -ab 30 100A 0 25,-3.0 27,-2.8 -2,-0.6 2,-0.5 -0.883 2.3-165.8-101.1 123.9 22.4 -27.4 5.3 5 5 A V E -ab 31 101A 0 95,-2.4 97,-3.2 -2,-0.5 2,-0.6 -0.935 7.1-161.9-112.5 129.0 25.6 -28.8 6.7 6 6 A I E -ab 32 102A 0 25,-3.4 27,-2.8 -2,-0.5 2,-0.5 -0.947 13.3-150.8-106.6 120.5 28.8 -26.9 6.9 7 7 A L E +ab 33 103A 6 95,-2.8 97,-2.3 -2,-0.6 27,-0.2 -0.813 63.0 21.5 -96.0 122.2 31.9 -29.1 7.3 8 8 A G - 0 0 9 25,-5.0 2,-1.1 -2,-0.5 26,-0.2 0.677 64.1-135.7 91.9 110.7 34.9 -27.7 9.1 9 9 A A + 0 0 7 27,-0.2 31,-0.3 4,-0.2 -1,-0.1 -0.580 63.5 112.7 -96.2 70.4 34.7 -24.8 11.6 10 10 A G S > S- 0 0 29 -2,-1.1 4,-2.2 94,-0.4 95,-0.1 -0.084 86.6 -46.3-112.2-142.2 37.8 -22.8 10.5 11 11 A T T 4 S+ 0 0 45 1,-0.2 290,-0.1 2,-0.2 5,-0.1 0.864 141.7 25.2 -67.9 -39.2 38.2 -19.4 8.8 12 12 A G T > S+ 0 0 7 92,-0.2 4,-2.1 288,-0.1 -1,-0.2 0.748 122.4 56.9 -88.7 -27.3 35.5 -19.9 6.2 13 13 A G H > S+ 0 0 0 91,-0.3 4,-1.9 2,-0.2 -4,-0.2 0.907 101.3 50.3 -75.9 -47.2 33.5 -22.4 8.2 14 14 A M H X S+ 0 0 0 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.872 118.6 40.3 -59.1 -41.2 32.7 -20.6 11.4 15 15 A P H > S+ 0 0 3 0, 0.0 4,-2.9 0, 0.0 5,-0.3 0.923 109.2 58.9 -73.2 -44.0 31.4 -17.6 9.5 16 16 A A H X S+ 0 0 0 -4,-2.1 4,-3.4 1,-0.2 5,-0.2 0.873 107.1 50.4 -52.0 -37.2 29.6 -19.6 6.9 17 17 A A H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.950 110.6 45.7 -68.7 -51.4 27.6 -21.2 9.7 18 18 A Y H X S+ 0 0 6 -4,-1.4 4,-1.8 2,-0.2 -2,-0.2 0.937 119.9 42.6 -55.1 -46.9 26.6 -17.9 11.3 19 19 A E H X S+ 0 0 17 -4,-2.9 4,-3.1 2,-0.2 5,-0.3 0.944 110.2 54.0 -66.1 -52.8 25.7 -16.5 7.8 20 20 A M H X S+ 0 0 0 -4,-3.4 4,-2.2 -5,-0.3 5,-0.3 0.918 110.6 48.2 -47.9 -49.2 24.0 -19.6 6.5 21 21 A K H X S+ 0 0 36 -4,-2.3 4,-2.5 -5,-0.2 -1,-0.2 0.886 112.2 49.6 -60.7 -41.3 21.7 -19.6 9.6 22 22 A E H < S+ 0 0 125 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.960 112.4 46.3 -59.8 -55.1 21.0 -15.9 9.1 23 23 A A H < S+ 0 0 25 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.847 121.6 35.8 -57.5 -40.0 20.1 -16.2 5.4 24 24 A L H < S- 0 0 22 -4,-2.2 3,-0.5 -5,-0.3 -1,-0.2 0.875 93.3-167.0 -87.6 -43.0 17.9 -19.2 5.8 25 25 A G >< - 0 0 26 -4,-2.5 3,-2.2 -5,-0.3 -1,-0.1 -0.147 51.5 -33.7 82.7-177.7 16.2 -18.5 9.2 26 26 A S T 3 S+ 0 0 128 1,-0.3 -1,-0.2 -4,-0.1 -4,-0.1 0.612 123.8 80.1 -53.3 -10.5 14.2 -20.6 11.6 27 27 A G T 3 S+ 0 0 43 -3,-0.5 2,-0.3 -26,-0.0 -1,-0.3 0.754 93.5 40.7 -70.3 -26.7 12.9 -22.3 8.4 28 28 A H S < S- 0 0 42 -3,-2.2 2,-0.5 -7,-0.2 -25,-0.2 -0.878 79.4-111.3-130.9 160.2 15.8 -24.6 7.9 29 29 A E E -a 3 0A 77 -27,-2.2 -25,-3.0 -2,-0.3 2,-0.5 -0.733 27.9-167.1 -89.5 121.7 18.3 -26.8 9.8 30 30 A V E -a 4 0A 0 -2,-0.5 42,-2.3 40,-0.5 2,-0.5 -0.942 6.2-176.6-113.6 123.5 22.0 -25.6 9.9 31 31 A T E -ac 5 72A 6 -27,-2.8 -25,-3.4 -2,-0.5 2,-0.6 -0.966 11.8-161.3-122.6 125.5 24.6 -28.0 11.1 32 32 A L E -ac 6 73A 0 40,-3.2 42,-2.5 -2,-0.5 2,-0.5 -0.922 11.4-172.0-103.7 117.9 28.3 -27.3 11.6 33 33 A I E +ac 7 74A 0 -27,-2.8 -25,-5.0 -2,-0.6 2,-0.3 -0.949 12.4 163.5-112.6 128.4 30.6 -30.3 11.7 34 34 A S E - c 0 75A 13 40,-2.0 42,-1.0 -2,-0.5 71,-0.0 -0.999 44.5-128.7-146.8 146.6 34.3 -30.0 12.6 35 35 A A S S+ 0 0 59 -2,-0.3 2,-0.3 40,-0.2 42,-0.3 0.854 96.9 49.1 -57.8 -40.3 37.2 -32.2 13.8 36 36 A N S S- 0 0 68 2,-0.1 -27,-0.2 40,-0.1 40,-0.2 -0.765 74.1-139.3-106.4 154.0 38.0 -30.0 16.7 37 37 A D S S+ 0 0 88 -2,-0.3 25,-2.2 38,-0.2 26,-0.6 0.414 84.1 57.3 -90.2 1.2 35.6 -28.6 19.3 38 38 A Y E S-F 61 0B 38 23,-0.3 2,-0.3 24,-0.1 -2,-0.1 -0.894 77.5-123.2-130.4 159.1 37.2 -25.1 19.4 39 39 A F E -F 60 0B 0 21,-3.0 21,-1.4 -2,-0.3 2,-0.4 -0.711 24.2-158.5 -97.6 151.7 38.0 -22.4 16.9 40 40 A Q E -F 59 0B 28 -31,-0.3 2,-1.3 -2,-0.3 19,-0.2 -0.989 21.1-133.3-136.6 133.1 41.5 -21.1 16.3 41 41 A F > - 0 0 6 17,-2.8 3,-1.7 -2,-0.4 4,-0.1 -0.672 25.0-165.4 -77.4 94.3 42.8 -17.9 14.8 42 42 A V G > S+ 0 0 59 -2,-1.3 3,-3.1 1,-0.3 -1,-0.2 0.859 78.0 66.3 -47.0 -51.0 45.5 -19.3 12.4 43 43 A P G 3 S+ 0 0 47 0, 0.0 -1,-0.3 0, 0.0 4,-0.2 0.691 97.8 58.4 -52.2 -19.9 47.4 -16.1 11.7 44 44 A S G <> S+ 0 0 2 -3,-1.7 4,-1.4 1,-0.2 3,-0.2 0.366 79.6 93.4 -89.8 3.4 48.5 -16.1 15.4 45 45 A N H <> S+ 0 0 1 -3,-3.1 4,-3.1 1,-0.2 3,-0.5 0.937 75.6 57.0 -72.5 -46.9 50.1 -19.5 15.3 46 46 A P H > S+ 0 0 6 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.863 106.9 54.5 -48.8 -34.7 53.7 -18.5 14.5 47 47 A W H >>S+ 0 0 32 2,-0.2 5,-3.5 -4,-0.2 6,-0.9 0.893 108.6 45.4 -67.9 -39.0 53.5 -16.4 17.7 48 48 A V H ><5S+ 0 0 5 -4,-1.4 3,-1.0 -3,-0.5 -1,-0.2 0.938 108.1 61.8 -61.0 -43.4 52.4 -19.4 19.7 49 49 A G H 3<5S+ 0 0 0 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.682 112.6 33.5 -59.2 -24.8 55.2 -21.2 17.9 50 50 A V H 3<5S- 0 0 0 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.437 121.6-105.8-107.3 -6.0 57.9 -18.9 19.4 51 51 A G T <<5S+ 0 0 28 -3,-1.0 -3,-0.2 -4,-0.8 -2,-0.1 0.806 84.4 119.7 89.3 33.4 55.9 -18.5 22.7 52 52 A W S > - 0 0 118 -2,-0.3 3,-1.7 1,-0.1 4,-0.7 -0.621 29.0-112.4 -92.0 160.1 49.2 -18.8 24.6 55 55 A R H >> S+ 0 0 69 1,-0.3 3,-1.7 -2,-0.2 4,-0.7 0.938 117.5 62.2 -52.8 -47.7 46.6 -21.2 23.2 56 56 A D H 34 S+ 0 0 133 1,-0.3 -1,-0.3 2,-0.2 -3,-0.0 0.555 98.6 59.5 -60.3 -6.9 44.0 -19.6 25.4 57 57 A D H <4 S+ 0 0 96 -3,-1.7 -1,-0.3 1,-0.1 -2,-0.2 0.777 115.2 27.8 -89.5 -30.5 44.7 -16.3 23.6 58 58 A I H << S+ 0 0 0 -3,-1.7 -17,-2.8 -4,-0.7 2,-0.3 0.172 115.2 52.9-123.8 17.1 43.8 -17.4 20.1 59 59 A A E < +F 40 0B 18 -4,-0.7 -19,-0.2 -19,-0.2 -1,-0.0 -0.996 49.8 171.0-153.8 154.9 41.2 -20.2 20.5 60 60 A F E -F 39 0B 15 -21,-1.4 -21,-3.0 -2,-0.3 2,-0.3 -0.985 43.8 -75.4-160.5 160.1 37.9 -20.9 22.2 61 61 A P E > -F 38 0B 81 0, 0.0 4,-0.5 0, 0.0 -23,-0.3 -0.445 33.3-159.7 -65.5 122.2 35.1 -23.5 22.4 62 62 A I H > S+ 0 0 0 -25,-2.2 4,-1.4 -2,-0.3 3,-0.4 0.956 72.0 76.1 -65.0 -55.0 32.7 -23.4 19.4 63 63 A R H >> S+ 0 0 102 -26,-0.6 4,-2.4 1,-0.2 3,-0.6 0.738 93.5 41.8 -26.4 -76.6 29.6 -25.1 20.9 64 64 A H H 3> S+ 0 0 111 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.918 113.5 54.1 -45.1 -54.1 28.0 -22.5 23.1 65 65 A Y H 3< S+ 0 0 49 -4,-0.5 -1,-0.2 -3,-0.4 -2,-0.2 0.796 115.0 36.5 -56.1 -39.1 28.5 -19.7 20.7 66 66 A V H X<>S+ 0 0 0 -4,-1.4 5,-2.0 -3,-0.6 3,-1.4 0.836 112.9 56.6 -85.5 -32.8 26.8 -21.3 17.7 67 67 A E H ><5S+ 0 0 94 -4,-2.4 3,-1.8 1,-0.3 -2,-0.2 0.849 99.1 59.9 -68.7 -33.5 24.1 -23.1 19.5 68 68 A R T 3<5S+ 0 0 142 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.1 0.538 105.3 54.5 -67.0 -5.0 22.8 -19.9 21.0 69 69 A K T < 5S- 0 0 79 -3,-1.4 -1,-0.3 2,-0.2 -2,-0.2 0.191 125.4 -99.6-114.1 14.0 22.4 -19.0 17.3 70 70 A G T < 5S+ 0 0 35 -3,-1.8 -40,-0.5 1,-0.3 2,-0.4 0.431 82.6 130.6 83.6 0.7 20.2 -21.9 16.3 71 71 A I < - 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0 0 106 -5,-0.1 -4,-3.6 1,-0.0 -1,-0.3 -0.327 49.0-141.0 -65.2 155.9 27.2 -42.2 13.2 95 95 A T E -H 89 0C 77 -6,-0.2 2,-0.4 -3,-0.1 -6,-0.2 -0.851 10.2-156.2-124.5 162.1 25.9 -40.8 9.9 96 96 A V E -H 88 0C 21 -8,-1.7 -8,-2.9 -2,-0.3 2,-0.2 -0.993 8.0-146.4-142.8 126.9 24.4 -37.5 9.0 97 97 A H E -H 87 0C 85 -2,-0.4 2,-0.3 -10,-0.2 -10,-0.2 -0.618 18.0-173.2 -92.1 151.3 22.1 -36.7 6.0 98 98 A Y - 0 0 0 -12,-2.1 -94,-0.2 -2,-0.2 3,-0.1 -0.976 29.4-161.2-140.0 158.8 22.2 -33.4 4.2 99 99 A D S S+ 0 0 53 -96,-2.7 2,-0.4 1,-0.4 -95,-0.2 0.783 93.4 19.1 -98.9 -47.8 20.2 -31.6 1.5 100 100 A Y E S-b 4 0A 36 -97,-1.9 -95,-2.4 197,-0.0 2,-0.4 -0.977 74.9-155.4-122.3 141.2 23.0 -29.1 0.8 101 101 A L E -bd 5 297A 1 195,-3.4 197,-3.6 -2,-0.4 2,-0.5 -0.945 5.3-166.7-119.0 131.5 26.6 -29.6 1.7 102 102 A M E -bd 6 298A 0 -97,-3.2 -95,-2.8 -2,-0.4 2,-0.6 -0.926 12.1-153.0-119.7 110.3 29.2 -26.8 2.3 103 103 A I E +bd 7 299A 0 195,-3.1 197,-2.4 -2,-0.5 -95,-0.1 -0.703 31.2 152.3 -87.8 119.5 32.8 -27.9 2.4 104 104 A A + 0 0 10 -97,-2.3 -94,-0.4 -2,-0.6 -91,-0.3 -0.341 21.6 135.9-135.9 51.0 35.1 -25.7 4.5 105 105 A T - 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