==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 24-JUL-11 3T31 . COMPND 2 MOLECULE: SULFIDE-QUINONE REDUCTASE, PUTATIVE; . SOURCE 2 ORGANISM_SCIENTIFIC: ACIDITHIOBACILLUS FERROOXIDANS; . AUTHOR M.M.CHERNEY,Y.ZHANG,M.SOLOMONSON,J.H.WEINER,M.N.JAMES . 421 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18665.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 281 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 9.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 55 13.1 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 . 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 . 30 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 22.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.7 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 1 1 0 0 0 0 1 1 0 0 0 2 0 1 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 3 1 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 -2 A M > 0 0 146 0, 0.0 3,-1.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 172.7 13.8 -32.3 4.5 2 -1 A R T 3 - 0 0 253 1,-0.3 0, 0.0 2,-0.1 0, 0.0 -0.462 360.0 -1.6 -62.0 116.8 11.2 -31.0 1.9 3 0 A G T 3 S+ 0 0 77 -2,-0.4 -1,-0.3 1,-0.0 2,-0.0 0.359 132.4 64.4 82.4 -7.5 10.6 -27.3 2.7 4 1 A S S < S- 0 0 25 -3,-1.4 -2,-0.1 27,-0.0 28,-0.1 -0.515 79.3-162.0-143.5 73.7 13.0 -27.4 5.6 5 2 A A - 0 0 5 26,-0.1 27,-2.0 1,-0.1 2,-0.7 -0.129 14.7-132.5 -60.0 147.4 16.4 -28.2 4.1 6 3 A H E -a 32 0A 22 25,-0.2 96,-3.0 27,-0.1 97,-2.0 -0.924 21.9-165.6-101.7 114.3 19.3 -29.4 6.3 7 4 A V E -ab 33 103A 0 25,-2.8 27,-2.3 -2,-0.7 2,-0.4 -0.899 3.1-162.4-105.0 116.1 22.5 -27.4 5.5 8 5 A V E -ab 34 104A 0 95,-2.9 97,-3.1 -2,-0.6 2,-0.6 -0.843 6.1-158.9-102.1 131.5 25.7 -28.9 6.8 9 6 A I E -ab 35 105A 0 25,-3.2 27,-3.0 -2,-0.4 2,-0.8 -0.943 10.7-153.2-109.4 117.9 29.0 -26.9 7.1 10 7 A L E +ab 36 106A 8 95,-2.6 97,-3.0 -2,-0.6 27,-0.2 -0.829 64.2 22.3 -99.8 109.9 32.1 -29.1 7.2 11 8 A G - 0 0 8 25,-3.7 2,-0.8 -2,-0.8 26,-0.2 0.450 62.0-138.3 105.8 116.7 35.0 -27.5 9.0 12 9 A A + 0 0 8 4,-0.2 -1,-0.1 27,-0.1 2,-0.1 -0.558 63.7 110.5-101.2 67.8 34.9 -24.8 11.7 13 10 A G S > S- 0 0 28 -2,-0.8 4,-2.0 94,-0.3 95,-0.1 -0.128 88.0 -48.6-116.3-150.3 37.9 -22.7 10.6 14 11 A T T 4 S+ 0 0 41 1,-0.2 5,-0.1 2,-0.2 290,-0.1 0.886 140.8 25.8 -58.8 -40.3 38.5 -19.3 9.0 15 12 A G T > S+ 0 0 8 92,-0.2 4,-2.0 288,-0.1 -1,-0.2 0.898 121.9 53.2 -86.7 -42.9 35.9 -19.9 6.3 16 13 A G H > S+ 0 0 0 91,-0.4 4,-1.6 2,-0.2 -2,-0.2 0.802 103.2 52.8 -69.0 -36.8 33.6 -22.4 8.1 17 14 A M H X S+ 0 0 0 -4,-2.0 4,-1.6 2,-0.2 3,-0.5 0.972 114.2 41.4 -65.0 -55.0 32.9 -20.6 11.3 18 15 A P H > S+ 0 0 0 0, 0.0 4,-3.0 0, 0.0 5,-0.3 0.914 111.5 59.7 -56.3 -39.9 31.7 -17.4 9.7 19 16 A A H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.837 102.4 52.3 -57.4 -36.6 29.8 -19.6 7.1 20 17 A A H X S+ 0 0 0 -4,-1.6 4,-2.5 -3,-0.5 -1,-0.2 0.950 113.7 42.0 -64.6 -50.0 27.8 -21.2 9.9 21 18 A Y H X S+ 0 0 5 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.910 117.1 46.9 -62.5 -45.6 26.6 -17.9 11.3 22 19 A E H X S+ 0 0 22 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.877 112.3 51.4 -69.0 -33.5 26.0 -16.4 7.9 23 20 A M H X S+ 0 0 0 -4,-2.1 4,-2.0 -5,-0.3 5,-0.2 0.947 112.4 44.4 -66.1 -47.8 24.1 -19.5 6.8 24 21 A K H X S+ 0 0 33 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.922 114.1 51.0 -63.6 -42.2 21.9 -19.5 9.8 25 22 A E H < S+ 0 0 114 -4,-2.6 -1,-0.2 384,-0.2 -2,-0.2 0.917 113.7 44.4 -57.7 -46.2 21.3 -15.7 9.5 26 23 A A H < S+ 0 0 24 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.790 120.0 39.6 -71.7 -31.7 20.4 -16.0 5.9 27 24 A L H < S- 0 0 21 -4,-2.0 3,-0.5 -5,-0.2 -2,-0.2 0.816 90.8-163.8 -92.2 -34.8 18.1 -19.0 6.2 28 25 A G >< - 0 0 29 -4,-2.7 3,-1.1 -5,-0.2 -1,-0.1 -0.264 48.5 -39.0 77.1-166.5 16.3 -18.3 9.5 29 26 A S T 3 S+ 0 0 125 1,-0.2 -1,-0.2 -4,-0.1 -4,-0.0 0.599 121.8 75.4 -75.3 -11.9 14.3 -20.6 11.7 30 27 A G T 3 S+ 0 0 43 -3,-0.5 2,-0.3 2,-0.0 -1,-0.2 0.722 96.7 47.8 -72.7 -22.8 12.7 -22.5 8.8 31 28 A H S < S- 0 0 33 -3,-1.1 2,-0.5 -7,-0.1 -25,-0.2 -0.789 80.5-118.8-120.3 164.7 15.9 -24.5 8.1 32 29 A E E -a 6 0A 81 -27,-2.0 -25,-2.8 -2,-0.3 2,-0.5 -0.875 21.5-165.6-106.5 125.0 18.4 -26.5 10.0 33 30 A V E -a 7 0A 0 -2,-0.5 42,-2.8 40,-0.5 2,-0.4 -0.956 7.7-176.9-113.8 124.4 22.1 -25.5 10.1 34 31 A T E -ac 8 75A 4 -27,-2.3 -25,-3.2 -2,-0.5 2,-0.5 -0.979 11.7-158.1-123.8 127.2 24.7 -27.9 11.4 35 32 A L E -ac 9 76A 0 40,-3.6 42,-2.7 -2,-0.4 2,-0.4 -0.900 11.3-171.6-103.3 129.6 28.4 -27.2 11.8 36 33 A I E +ac 10 77A 0 -27,-3.0 -25,-3.7 -2,-0.5 2,-0.3 -0.985 12.4 162.8-124.7 127.1 30.7 -30.3 11.9 37 34 A S - 0 0 17 40,-2.1 42,-0.3 -2,-0.4 43,-0.0 -0.999 45.3-124.4-150.3 149.9 34.4 -30.1 12.7 38 35 A A S S+ 0 0 62 -2,-0.3 2,-0.3 40,-0.1 42,-0.3 0.781 97.3 44.9 -60.3 -33.1 37.4 -32.2 13.8 39 36 A N S S- 0 0 66 2,-0.2 40,-0.2 40,-0.2 -27,-0.1 -0.834 73.5-136.2-115.5 155.6 38.1 -30.1 16.9 40 37 A D S S+ 0 0 98 -2,-0.3 25,-2.5 38,-0.2 26,-0.5 0.358 85.5 66.6 -87.3 4.7 35.8 -28.7 19.5 41 38 A Y E S-F 64 0B 36 23,-0.3 2,-0.3 24,-0.1 -2,-0.2 -0.925 72.4-132.6-130.5 151.2 37.6 -25.4 19.4 42 39 A F E -F 63 0B 1 21,-2.9 21,-1.8 -2,-0.3 2,-0.4 -0.768 24.3-164.7 -93.4 145.4 38.3 -22.5 17.0 43 40 A Q E -F 62 0B 27 -2,-0.3 2,-1.2 19,-0.2 19,-0.2 -0.989 24.4-127.6-131.8 143.9 41.8 -21.2 16.6 44 41 A F > - 0 0 8 17,-2.4 3,-2.0 -2,-0.4 4,-0.2 -0.728 27.3-163.1 -89.0 95.2 43.1 -18.0 15.1 45 42 A V G > S+ 0 0 62 -2,-1.2 3,-2.5 1,-0.3 -1,-0.2 0.791 78.5 62.2 -53.6 -44.3 45.6 -19.4 12.6 46 43 A P G 3 S+ 0 0 47 0, 0.0 4,-0.3 0, 0.0 -1,-0.3 0.667 98.7 61.4 -60.9 -11.5 47.8 -16.3 11.8 47 44 A S G <> S+ 0 0 3 -3,-2.0 4,-1.5 1,-0.2 3,-0.3 0.525 77.7 92.3 -87.9 -5.0 48.7 -16.2 15.5 48 45 A N H <> S+ 0 0 0 -3,-2.5 4,-2.5 1,-0.2 5,-0.2 0.881 77.0 58.0 -62.8 -41.5 50.4 -19.7 15.3 49 46 A P H > S+ 0 0 5 0, 0.0 4,-0.9 0, 0.0 -1,-0.2 0.919 106.3 51.6 -52.1 -43.2 54.0 -18.5 14.5 50 47 A W H >>>S+ 0 0 30 -3,-0.3 5,-2.7 -4,-0.3 6,-1.0 0.888 109.0 48.7 -64.2 -37.4 53.9 -16.5 17.7 51 48 A V H ><5S+ 0 0 5 -4,-1.5 3,-0.8 4,-0.2 -1,-0.2 0.908 105.6 61.1 -62.5 -38.4 52.8 -19.5 19.7 52 49 A G H 3<5S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.682 112.6 35.1 -66.4 -19.6 55.6 -21.4 18.0 53 50 A V H <<5S- 0 0 1 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.402 120.1-107.5-111.5 -1.9 58.2 -19.1 19.5 54 51 A G T <<5S+ 0 0 33 -3,-0.8 -3,-0.2 -4,-0.7 -2,-0.1 0.597 85.4 120.8 91.7 12.3 56.3 -18.6 22.8 55 52 A W S > - 0 0 129 -2,-0.3 3,-1.9 1,-0.1 4,-1.1 -0.853 25.4-119.2-112.7 148.1 49.5 -18.8 24.5 58 55 A R H >> S+ 0 0 54 -2,-0.3 4,-1.3 1,-0.3 3,-1.1 0.912 114.5 60.4 -45.9 -48.8 46.9 -21.2 23.2 59 56 A D H 34 S+ 0 0 146 1,-0.3 -1,-0.3 2,-0.2 -3,-0.0 0.698 101.1 55.4 -58.5 -20.8 44.4 -19.7 25.5 60 57 A D H <4 S+ 0 0 98 -3,-1.9 -1,-0.3 1,-0.1 -2,-0.2 0.849 119.0 28.6 -76.7 -35.8 44.9 -16.3 23.8 61 58 A I H << S+ 0 0 0 -4,-1.1 -17,-2.4 -3,-1.1 2,-0.3 0.350 114.8 59.2-112.6 3.6 44.1 -17.5 20.3 62 59 A A E < +F 43 0B 18 -4,-1.3 -19,-0.2 -19,-0.2 -21,-0.0 -0.982 49.8 169.4-139.5 148.3 41.7 -20.4 20.8 63 60 A F E -F 42 0B 13 -21,-1.8 -21,-2.9 -2,-0.3 2,-0.2 -0.986 41.5 -90.3-153.1 155.6 38.3 -21.0 22.4 64 61 A P E -F 41 0B 85 0, 0.0 4,-0.3 0, 0.0 -23,-0.3 -0.495 31.6-155.9 -70.1 139.2 35.5 -23.7 22.6 65 62 A I >> + 0 0 0 -25,-2.5 4,-1.6 -2,-0.2 3,-0.6 0.818 67.9 83.3 -85.7 -35.0 32.9 -23.4 19.8 66 63 A R H 3> S+ 0 0 102 -26,-0.5 4,-2.6 1,-0.3 3,-0.4 0.837 91.8 43.1 -45.4 -63.6 29.8 -25.1 21.1 67 64 A H H 3> S+ 0 0 116 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.846 112.1 54.5 -53.1 -40.0 28.1 -22.4 23.2 68 65 A Y H <4 S+ 0 0 55 -3,-0.6 -1,-0.2 -4,-0.3 -2,-0.2 0.860 115.8 35.1 -69.9 -37.7 28.8 -19.6 20.7 69 66 A V H ><>S+ 0 0 0 -4,-1.6 5,-2.1 -3,-0.4 3,-1.3 0.856 115.7 55.6 -82.1 -36.1 27.1 -21.3 17.7 70 67 A E H ><5S+ 0 0 92 -4,-2.6 3,-2.1 -5,-0.3 -2,-0.2 0.879 99.4 59.1 -65.3 -37.2 24.4 -23.0 19.7 71 68 A R T 3<5S+ 0 0 158 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.1 0.601 106.4 53.0 -65.2 -8.2 23.1 -19.7 21.2 72 69 A K T < 5S- 0 0 91 -3,-1.3 -1,-0.3 2,-0.2 -2,-0.2 0.334 125.8-100.4-110.0 3.3 22.6 -18.8 17.6 73 70 A G T < 5S+ 0 0 39 -3,-2.1 -40,-0.5 1,-0.3 2,-0.4 0.573 79.7 132.7 89.7 11.9 20.5 -21.8 16.7 74 71 A I < - 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