==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 18-JUL-11 3SZ0 . 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) . 18274.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 284 67.5 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 . 32 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 9.5 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 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 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 0 140 0, 0.0 3,-2.6 0, 0.0 31,-0.1 0.000 360.0 360.0 360.0 164.1 13.8 -32.1 4.5 2 -1 A R T 3 + 0 0 254 1,-0.3 100,-0.0 2,-0.1 0, 0.0 -0.285 360.0 1.4 -56.6 123.2 11.4 -31.1 1.8 3 0 A G T 3 S+ 0 0 80 -2,-0.1 -1,-0.3 1,-0.0 340,-0.0 0.433 130.5 67.1 77.8 -2.2 10.5 -27.5 2.1 4 1 A S S < S- 0 0 26 -3,-2.6 28,-0.4 27,-0.0 -2,-0.1 -0.366 82.9-155.9-144.2 58.2 12.8 -27.2 5.1 5 2 A A - 0 0 8 26,-0.1 27,-1.1 1,-0.1 2,-0.7 0.058 7.4-139.7 -41.7 137.3 16.3 -27.7 3.7 6 3 A H E -a 32 0A 19 25,-0.2 96,-2.9 27,-0.0 97,-1.8 -0.914 18.8-163.8-102.4 112.2 19.0 -29.0 6.0 7 4 A V E -ab 33 103A 0 25,-2.6 27,-2.4 -2,-0.7 2,-0.5 -0.860 1.4-162.7-101.9 125.2 22.3 -27.2 5.3 8 5 A V E -ab 34 104A 0 95,-2.9 97,-3.4 -2,-0.5 2,-0.5 -0.903 5.9-158.5-109.4 132.2 25.5 -28.7 6.6 9 6 A I E -ab 35 105A 0 25,-3.2 27,-3.0 -2,-0.5 2,-0.8 -0.945 10.1-153.9-108.1 121.2 28.8 -26.8 7.0 10 7 A L E +ab 36 106A 7 95,-3.0 97,-2.8 -2,-0.5 27,-0.2 -0.845 64.1 23.5-101.2 107.7 31.8 -29.0 7.1 11 8 A G - 0 0 8 25,-3.5 2,-0.6 -2,-0.8 26,-0.2 0.344 61.9-138.3 108.8 121.9 34.7 -27.4 9.0 12 9 A A + 0 0 8 4,-0.2 2,-0.1 27,-0.1 -1,-0.1 -0.546 63.1 105.4-110.4 67.3 34.7 -24.7 11.6 13 10 A G S > S- 0 0 28 -2,-0.6 4,-2.1 94,-0.3 31,-0.1 -0.135 89.8 -44.8-119.2-149.3 37.7 -22.5 10.6 14 11 A T T 4 S+ 0 0 37 1,-0.2 290,-0.1 2,-0.2 -3,-0.0 0.837 141.2 24.2 -58.5 -37.9 38.2 -19.1 9.0 15 12 A G T > S+ 0 0 8 92,-0.2 4,-1.9 288,-0.1 -1,-0.2 0.846 123.5 52.7 -91.6 -41.5 35.6 -19.8 6.3 16 13 A G H > S+ 0 0 0 91,-0.4 4,-2.2 2,-0.2 -4,-0.2 0.888 104.2 52.5 -66.4 -45.9 33.4 -22.4 8.1 17 14 A M H X S+ 0 0 0 -4,-2.1 4,-1.5 1,-0.2 3,-0.3 0.962 115.7 39.5 -56.9 -56.4 32.7 -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 0.868 111.1 61.6 -62.4 -33.2 31.4 -17.4 9.7 19 16 A A H X S+ 0 0 0 -4,-1.9 4,-2.8 1,-0.2 -2,-0.2 0.909 102.3 50.8 -58.1 -42.2 29.7 -19.6 7.1 20 17 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 -3,-0.3 -1,-0.2 0.926 113.4 43.5 -63.4 -47.2 27.5 -21.2 9.7 21 18 A Y H X S+ 0 0 5 -4,-1.5 4,-2.7 2,-0.2 5,-0.2 0.944 116.0 47.9 -61.5 -48.9 26.4 -17.9 11.2 22 19 A E H X S+ 0 0 8 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.896 112.1 50.3 -61.6 -39.9 25.8 -16.3 7.8 23 20 A M H X S+ 0 0 0 -4,-2.8 4,-2.5 -5,-0.3 5,-0.3 0.965 112.1 45.2 -62.7 -53.9 23.9 -19.4 6.7 24 21 A K H X S+ 0 0 34 -4,-2.4 4,-3.0 1,-0.2 -2,-0.2 0.910 114.2 50.2 -56.4 -44.6 21.6 -19.5 9.7 25 22 A E H < S+ 0 0 119 -4,-2.7 -1,-0.2 384,-0.2 -2,-0.2 0.870 114.6 44.1 -61.6 -38.8 21.0 -15.7 9.5 26 23 A A H < S+ 0 0 23 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.810 120.4 39.3 -76.3 -32.2 20.2 -16.0 5.8 27 24 A L H < S- 0 0 19 -4,-2.5 3,-0.5 -5,-0.2 -2,-0.2 0.837 93.6-164.8 -91.6 -35.3 17.9 -19.0 6.1 28 25 A G >< - 0 0 30 -4,-3.0 3,-1.3 -5,-0.3 -1,-0.1 -0.272 45.7 -33.2 81.0-167.7 16.1 -18.2 9.3 29 26 A S T 3 S+ 0 0 124 1,-0.3 -1,-0.2 -4,-0.1 -4,-0.0 0.623 123.9 66.7 -69.8 -16.7 14.1 -20.4 11.6 30 27 A G T 3 S+ 0 0 42 -3,-0.5 2,-0.4 2,-0.0 -1,-0.3 0.291 95.2 62.4 -91.9 11.3 12.6 -22.7 9.0 31 28 A H S < S- 0 0 35 -3,-1.3 2,-0.5 -7,-0.1 -25,-0.2 -0.997 78.1-126.5-136.8 140.8 15.8 -24.3 8.0 32 29 A E E -a 6 0A 81 -27,-1.1 -25,-2.6 -28,-0.4 2,-0.5 -0.756 21.8-167.6 -87.7 122.9 18.3 -26.5 9.9 33 30 A V E -a 7 0A 0 -2,-0.5 42,-2.4 40,-0.5 2,-0.5 -0.960 6.4-175.1-112.3 121.5 21.9 -25.4 9.9 34 31 A T E -ac 8 75A 4 -27,-2.4 -25,-3.2 -2,-0.5 2,-0.5 -0.964 11.3-157.9-118.7 127.4 24.5 -27.8 11.2 35 32 A L E -ac 9 76A 0 40,-3.6 42,-2.5 -2,-0.5 2,-0.5 -0.924 11.6-172.0-104.3 124.6 28.2 -27.1 11.7 36 33 A I E +ac 10 77A 0 -27,-3.0 -25,-3.5 -2,-0.5 2,-0.3 -0.967 12.5 161.7-119.6 125.0 30.5 -30.2 11.8 37 34 A S - 0 0 16 40,-2.0 42,-0.4 -2,-0.5 71,-0.0 -0.994 45.3-125.5-147.3 151.8 34.2 -29.9 12.7 38 35 A A S S+ 0 0 59 -2,-0.3 42,-0.3 40,-0.2 2,-0.3 0.830 97.2 46.8 -62.2 -38.5 37.0 -32.1 13.8 39 36 A N S S- 0 0 64 2,-0.2 40,-0.2 40,-0.1 -27,-0.1 -0.765 73.8-137.7-105.8 155.3 37.8 -30.0 16.8 40 37 A D S S+ 0 0 89 -2,-0.3 25,-2.6 38,-0.2 26,-0.5 0.335 85.5 66.0 -88.5 6.7 35.4 -28.6 19.4 41 38 A Y E S-F 64 0B 35 23,-0.3 2,-0.3 24,-0.1 -2,-0.2 -0.933 73.9-131.5-131.2 152.1 37.3 -25.3 19.4 42 39 A F E -F 63 0B 0 21,-3.0 21,-1.8 -2,-0.3 2,-0.4 -0.766 23.0-164.6 -94.7 146.4 38.0 -22.4 16.9 43 40 A Q E -F 62 0B 25 -2,-0.3 2,-1.1 19,-0.2 19,-0.2 -0.992 23.2-132.2-133.6 141.5 41.5 -21.2 16.4 44 41 A F > - 0 0 5 17,-2.2 3,-1.9 -2,-0.4 4,-0.2 -0.778 25.7-164.8 -90.5 96.4 42.7 -17.9 14.8 45 42 A V G > S+ 0 0 63 -2,-1.1 3,-2.4 1,-0.3 -1,-0.2 0.772 76.9 68.0 -63.8 -32.0 45.4 -19.5 12.6 46 43 A P G 3 S+ 0 0 44 0, 0.0 -1,-0.3 0, 0.0 4,-0.2 0.635 98.3 58.7 -59.0 -12.6 47.4 -16.3 11.7 47 44 A S G <> S+ 0 0 5 -3,-1.9 4,-1.7 1,-0.1 3,-0.5 0.543 79.6 90.8 -90.4 -9.2 48.4 -16.2 15.3 48 45 A N H <> S+ 0 0 0 -3,-2.4 4,-2.9 1,-0.2 5,-0.2 0.893 78.4 57.7 -59.3 -42.3 50.0 -19.6 15.2 49 46 A P H > S+ 0 0 4 0, 0.0 4,-0.8 0, 0.0 -1,-0.2 0.903 107.5 49.7 -55.0 -39.7 53.5 -18.4 14.3 50 47 A W H >>>S+ 0 0 34 -3,-0.5 5,-2.7 -4,-0.2 6,-1.1 0.867 109.6 50.5 -67.3 -34.3 53.5 -16.3 17.5 51 48 A V H ><5S+ 0 0 5 -4,-1.7 3,-1.1 4,-0.2 -1,-0.2 0.925 105.2 59.1 -64.9 -39.7 52.4 -19.3 19.5 52 49 A G H 3<5S+ 0 0 0 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.676 112.1 38.0 -63.6 -20.7 55.2 -21.2 17.9 53 50 A V H <<5S- 0 0 0 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.408 119.2-108.9-107.4 -1.6 57.8 -18.8 19.3 54 51 A G T <<5S+ 0 0 34 -3,-1.1 -3,-0.2 -4,-0.6 -2,-0.1 0.642 86.5 118.9 86.4 16.3 55.9 -18.4 22.6 55 52 A W S > - 0 0 126 -2,-0.3 3,-1.9 1,-0.1 4,-0.9 -0.867 28.0-113.1-114.8 155.4 49.3 -18.8 24.2 58 55 A R H >> S+ 0 0 57 -2,-0.3 4,-1.2 1,-0.3 3,-0.8 0.848 114.3 63.0 -48.1 -43.2 46.5 -21.1 23.0 59 56 A D H 34 S+ 0 0 133 1,-0.3 -1,-0.3 2,-0.2 -3,-0.0 0.764 101.8 51.4 -58.0 -27.6 44.1 -19.5 25.5 60 57 A D H <4 S+ 0 0 102 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.793 119.4 31.7 -79.7 -28.1 44.5 -16.2 23.7 61 58 A I H << S+ 0 0 0 -4,-0.9 -17,-2.2 -3,-0.8 2,-0.3 0.367 113.0 57.2-116.4 4.6 43.7 -17.4 20.2 62 59 A A E < +F 43 0B 19 -4,-1.2 -19,-0.2 -19,-0.2 -1,-0.1 -0.991 49.5 172.0-142.7 145.5 41.3 -20.3 20.7 63 60 A F E -F 42 0B 12 -21,-1.8 -21,-3.0 -2,-0.3 2,-0.1 -0.992 40.6 -93.2-149.2 152.7 37.9 -20.9 22.2 64 61 A P E -F 41 0B 86 0, 0.0 4,-0.3 0, 0.0 -23,-0.3 -0.449 32.1-152.5 -68.4 141.7 35.3 -23.7 22.4 65 62 A I >> + 0 0 0 -25,-2.6 4,-1.6 -2,-0.1 3,-0.8 0.871 68.7 82.3 -84.0 -42.2 32.7 -23.4 19.7 66 63 A R H 3> S+ 0 0 101 -26,-0.5 4,-2.9 1,-0.3 5,-0.3 0.774 91.7 44.7 -42.0 -61.2 29.5 -25.0 21.0 67 64 A H H 3> S+ 0 0 116 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.873 112.7 52.1 -55.3 -42.4 27.9 -22.3 23.1 68 65 A Y H <4 S+ 0 0 52 -3,-0.8 -1,-0.2 -4,-0.3 -2,-0.2 0.874 117.3 35.7 -67.5 -38.8 28.5 -19.5 20.6 69 66 A V H ><>S+ 0 0 0 -4,-1.6 5,-2.2 -3,-0.2 3,-1.2 0.875 115.9 54.6 -81.9 -35.8 26.9 -21.3 17.6 70 67 A E H ><5S+ 0 0 93 -4,-2.9 3,-1.9 -5,-0.3 -2,-0.2 0.859 99.9 59.6 -66.7 -34.2 24.1 -23.0 19.6 71 68 A R T 3<5S+ 0 0 136 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.653 105.7 52.7 -68.4 -11.8 22.9 -19.7 21.1 72 69 A K T < 5S- 0 0 91 -3,-1.2 -1,-0.3 2,-0.2 -2,-0.2 0.310 126.9 -99.2-104.2 5.5 22.4 -18.7 17.5 73 70 A G T < 5S+ 0 0 37 -3,-1.9 -40,-0.5 1,-0.3 2,-0.4 0.567 79.5 136.0 89.0 11.4 20.3 -21.8 16.6 74 71 A I < - 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