==== 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 18-JUL-11 3SZF . 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 . 421 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18479.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 282 67.0 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 . 56 13.3 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 . 31 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 96 22.8 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 2 0 0 0 0 0 1 1 0 0 0 2 0 0 1 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 0 3 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 0 145 0, 0.0 3,-1.9 0, 0.0 101,-0.1 0.000 360.0 360.0 360.0 163.7 13.8 -32.2 4.6 2 -1 A R T 3 + 0 0 241 1,-0.3 100,-0.0 2,-0.1 0, 0.0 -0.308 360.0 9.1 -60.2 133.7 11.4 -30.9 1.9 3 0 A G T 3 S+ 0 0 83 340,-0.1 -1,-0.3 1,-0.0 2,-0.0 0.202 131.1 60.2 80.8 -16.2 10.3 -27.4 2.5 4 1 A S S < S- 0 0 30 -3,-1.9 28,-0.3 27,-0.0 -2,-0.1 -0.479 81.4-157.0-142.3 65.5 12.9 -27.1 5.3 5 2 A A - 0 0 7 26,-0.1 2,-0.6 1,-0.1 27,-0.6 -0.077 9.2-138.1 -49.7 137.4 16.3 -27.7 3.8 6 3 A H E -a 32 0A 20 25,-0.2 96,-3.2 27,-0.0 97,-1.8 -0.906 18.5-161.7-101.4 115.6 19.1 -28.9 6.1 7 4 A V E -ab 33 103A 0 25,-2.6 27,-2.5 -2,-0.6 2,-0.5 -0.862 2.7-164.1-103.6 125.4 22.4 -27.1 5.5 8 5 A V E -ab 34 104A 0 95,-2.9 97,-3.4 -2,-0.5 2,-0.6 -0.925 6.2-158.5-110.6 128.7 25.6 -28.6 6.8 9 6 A I E -ab 35 105A 0 25,-2.9 27,-2.8 -2,-0.5 2,-0.8 -0.933 11.4-152.3-101.9 119.9 28.9 -26.6 7.0 10 7 A L E +ab 36 106A 9 95,-2.6 97,-2.7 -2,-0.6 27,-0.2 -0.815 64.7 22.6 -95.1 110.0 32.0 -28.9 7.1 11 8 A G - 0 0 7 25,-3.5 2,-0.5 -2,-0.8 26,-0.2 0.359 61.3-138.4 106.3 121.7 34.9 -27.3 9.0 12 9 A A + 0 0 8 4,-0.2 -1,-0.1 27,-0.1 2,-0.1 -0.521 62.5 112.8-108.9 61.7 34.9 -24.6 11.6 13 10 A G S > S- 0 0 29 -2,-0.5 4,-2.0 94,-0.4 95,-0.0 -0.081 88.9 -52.2-109.2-151.4 37.9 -22.6 10.5 14 11 A T T 4 S+ 0 0 40 1,-0.2 5,-0.1 2,-0.2 290,-0.1 0.834 140.8 29.0 -59.8 -33.8 38.4 -19.1 9.0 15 12 A G T > S+ 0 0 7 92,-0.2 4,-2.5 288,-0.1 -1,-0.2 0.899 119.9 52.2 -89.9 -48.1 35.8 -19.8 6.3 16 13 A G H > S+ 0 0 0 91,-0.4 4,-2.5 2,-0.2 -4,-0.2 0.847 105.2 51.8 -62.3 -42.3 33.5 -22.3 8.1 17 14 A M H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 5,-0.2 0.967 114.1 42.3 -62.8 -54.1 32.8 -20.4 11.3 18 15 A P H > S+ 0 0 0 0, 0.0 4,-3.5 0, 0.0 5,-0.3 0.942 113.2 57.1 -53.7 -45.2 31.6 -17.2 9.6 19 16 A A H X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.905 104.4 50.1 -52.2 -46.4 29.8 -19.5 7.1 20 17 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.949 115.1 43.0 -61.3 -48.3 27.8 -21.2 9.9 21 18 A Y H X S+ 0 0 5 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.948 116.6 47.1 -59.2 -48.8 26.7 -17.8 11.3 22 19 A E H X S+ 0 0 8 -4,-3.5 4,-2.5 1,-0.2 -2,-0.2 0.891 111.3 51.6 -66.5 -36.4 26.0 -16.2 7.9 23 20 A M H X S+ 0 0 0 -4,-3.0 4,-2.9 -5,-0.3 5,-0.3 0.934 111.5 45.7 -63.3 -47.9 24.0 -19.3 6.8 24 21 A K H X S+ 0 0 34 -4,-2.2 4,-2.7 -5,-0.2 -2,-0.2 0.904 113.5 50.8 -63.2 -40.0 21.8 -19.3 9.9 25 22 A E H < S+ 0 0 118 -4,-2.5 -2,-0.2 384,-0.2 -1,-0.2 0.915 114.7 43.5 -61.7 -42.6 21.3 -15.5 9.6 26 23 A A H < S+ 0 0 24 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.903 122.4 36.4 -71.6 -40.7 20.4 -15.9 5.9 27 24 A L H < S- 0 0 23 -4,-2.9 3,-0.5 -5,-0.2 -2,-0.2 0.864 91.1-167.2 -84.2 -40.3 18.1 -18.9 6.3 28 25 A G >< - 0 0 29 -4,-2.7 3,-1.3 -5,-0.3 -1,-0.1 -0.336 47.9 -32.9 81.1-165.2 16.4 -18.2 9.7 29 26 A S T 3 S+ 0 0 124 1,-0.3 -1,-0.2 -4,-0.1 -4,-0.0 0.633 122.6 70.1 -74.2 -16.8 14.4 -20.4 11.9 30 27 A G T 3 S+ 0 0 43 -3,-0.5 2,-0.4 1,-0.1 -1,-0.3 0.408 97.2 59.9 -81.1 4.3 12.7 -22.5 9.2 31 28 A H S < S- 0 0 38 -3,-1.3 2,-0.4 -7,-0.1 -25,-0.2 -0.996 77.5-128.6-137.5 136.6 16.0 -24.2 8.3 32 29 A E E -a 6 0A 82 -27,-0.6 -25,-2.6 -2,-0.4 2,-0.5 -0.670 21.2-167.3 -81.1 127.2 18.4 -26.4 10.3 33 30 A V E -a 7 0A 0 40,-0.5 42,-2.9 -2,-0.4 2,-0.5 -0.978 6.1-173.1-113.5 127.6 22.1 -25.3 10.1 34 31 A T E -ac 8 75A 4 -27,-2.5 -25,-2.9 -2,-0.5 2,-0.5 -0.986 10.5-158.2-126.3 125.1 24.6 -27.8 11.4 35 32 A L E -ac 9 76A 0 40,-3.3 42,-2.5 -2,-0.5 2,-0.4 -0.900 11.2-172.0-100.9 126.2 28.3 -27.1 11.8 36 33 A I E +ac 10 77A 0 -27,-2.8 -25,-3.5 -2,-0.5 2,-0.3 -0.978 12.6 161.5-121.1 125.2 30.6 -30.1 11.8 37 34 A S - 0 0 18 40,-2.1 42,-0.2 -2,-0.4 43,-0.0 -0.998 45.8-126.3-147.0 152.3 34.4 -29.9 12.7 38 35 A A S S+ 0 0 61 -2,-0.3 2,-0.3 40,-0.1 42,-0.3 0.734 97.4 50.0 -67.5 -24.8 37.2 -32.1 13.8 39 36 A N S S- 0 0 64 40,-0.2 40,-0.2 2,-0.1 -27,-0.1 -0.883 71.9-141.2-115.3 149.7 38.0 -29.9 16.8 40 37 A D S S+ 0 0 95 -2,-0.3 25,-2.4 38,-0.2 26,-0.6 0.366 84.9 64.8 -84.8 4.6 35.7 -28.5 19.4 41 38 A Y E S-F 64 0B 36 23,-0.3 2,-0.3 24,-0.1 -2,-0.1 -0.946 74.0-131.9-130.0 149.0 37.6 -25.1 19.4 42 39 A F E -F 63 0B 0 21,-2.9 21,-1.8 -2,-0.3 2,-0.4 -0.726 24.1-163.2 -89.1 147.7 38.2 -22.3 16.9 43 40 A Q E -F 62 0B 28 -2,-0.3 2,-1.2 19,-0.2 19,-0.2 -0.994 23.0-130.8-133.1 142.5 41.7 -21.0 16.5 44 41 A F > - 0 0 9 17,-2.0 3,-2.1 -2,-0.4 4,-0.2 -0.741 26.6-165.0 -90.5 96.6 43.0 -17.8 14.9 45 42 A V G > S+ 0 0 64 -2,-1.2 3,-2.2 1,-0.3 -1,-0.2 0.771 76.6 67.4 -64.3 -32.2 45.6 -19.3 12.6 46 43 A P G 3 S+ 0 0 50 0, 0.0 -1,-0.3 0, 0.0 4,-0.2 0.665 99.1 57.3 -58.6 -13.1 47.7 -16.2 11.8 47 44 A S G <> S+ 0 0 4 -3,-2.1 4,-1.4 1,-0.2 3,-0.3 0.477 78.4 93.4 -95.3 -3.5 48.8 -16.2 15.4 48 45 A N H <> S+ 0 0 0 -3,-2.2 4,-2.4 1,-0.2 5,-0.2 0.874 77.6 58.6 -60.4 -41.0 50.2 -19.7 15.4 49 46 A P H > S+ 0 0 3 0, 0.0 4,-0.7 0, 0.0 -1,-0.2 0.908 105.6 51.0 -55.9 -41.9 53.8 -18.6 14.5 50 47 A W H >4>S+ 0 0 32 -3,-0.3 5,-2.3 -4,-0.2 6,-1.2 0.846 108.7 50.7 -62.4 -36.0 53.9 -16.5 17.7 51 48 A V H ><5S+ 0 0 5 -4,-1.4 3,-1.4 4,-0.2 -1,-0.2 0.922 104.8 60.4 -62.0 -39.0 52.7 -19.5 19.7 52 49 A G H 3<5S+ 0 0 0 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.652 111.1 37.7 -65.8 -18.3 55.5 -21.4 18.0 53 50 A V T <<5S- 0 0 0 -4,-0.7 -1,-0.3 -3,-0.5 -2,-0.2 0.302 118.8-106.7-114.3 5.1 58.1 -19.1 19.6 54 51 A G T < 5S+ 0 0 31 -3,-1.4 -3,-0.2 -4,-0.4 -2,-0.1 0.570 87.9 117.0 87.4 7.1 56.3 -18.7 22.9 55 52 A W S > - 0 0 133 -2,-0.3 3,-1.5 1,-0.1 4,-0.9 -0.835 31.1-102.5-123.9 166.3 49.6 -19.1 24.2 58 55 A R H >> S+ 0 0 57 -2,-0.3 4,-1.9 1,-0.3 3,-1.5 0.906 117.9 57.1 -50.9 -51.1 46.7 -21.3 23.2 59 56 A D H 34 S+ 0 0 134 1,-0.3 -1,-0.3 2,-0.2 -3,-0.0 0.700 102.4 58.0 -58.0 -22.0 44.2 -19.5 25.5 60 57 A D H <4 S+ 0 0 100 -3,-1.5 -1,-0.3 1,-0.1 -2,-0.2 0.827 120.9 23.1 -73.7 -33.0 45.0 -16.2 23.7 61 58 A I H << S+ 0 0 2 -3,-1.5 -17,-2.0 -4,-0.9 2,-0.3 0.472 114.9 61.5-119.2 -3.3 44.1 -17.5 20.2 62 59 A A E < +F 43 0B 16 -4,-1.9 -19,-0.2 -19,-0.2 -1,-0.0 -0.946 48.5 169.9-132.8 147.1 41.7 -20.4 20.7 63 60 A F E -F 42 0B 14 -21,-1.8 -21,-2.9 -2,-0.3 2,-0.2 -0.992 41.3 -92.9-152.3 151.4 38.2 -20.9 22.3 64 61 A P E -F 41 0B 83 0, 0.0 4,-0.4 0, 0.0 -23,-0.3 -0.462 30.6-155.2 -67.3 136.1 35.5 -23.6 22.4 65 62 A I >> + 0 0 0 -25,-2.4 4,-1.7 -2,-0.2 3,-0.7 0.846 69.7 82.3 -79.3 -38.8 32.9 -23.2 19.7 66 63 A R H 3> S+ 0 0 102 -26,-0.6 4,-2.4 1,-0.3 5,-0.2 0.805 91.2 44.7 -45.1 -58.2 29.8 -24.9 21.1 67 64 A H H 3> S+ 0 0 111 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.891 113.7 51.1 -56.3 -41.0 28.3 -22.2 23.3 68 65 A Y H <4 S+ 0 0 54 -3,-0.7 -1,-0.2 -4,-0.4 -2,-0.2 0.879 115.8 36.8 -71.5 -40.5 28.8 -19.4 20.7 69 66 A V H ><>S+ 0 0 0 -4,-1.7 5,-2.0 1,-0.2 3,-1.4 0.884 114.1 57.6 -77.7 -36.9 27.2 -21.1 17.7 70 67 A E H ><5S+ 0 0 94 -4,-2.4 3,-1.4 -5,-0.3 -2,-0.2 0.779 97.7 59.2 -65.4 -28.8 24.4 -22.7 19.7 71 68 A R T 3<5S+ 0 0 153 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.641 104.5 54.0 -74.8 -11.7 23.2 -19.4 21.1 72 69 A K T < 5S- 0 0 94 -3,-1.4 -1,-0.3 -4,-0.2 -2,-0.2 0.313 125.8-104.3 -98.8 7.5 22.6 -18.6 17.4 73 70 A G T < 5S+ 0 0 38 -3,-1.4 -40,-0.5 1,-0.3 2,-0.4 0.667 76.3 139.6 78.5 17.9 20.5 -21.7 16.9 74 71 A I < - 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