==== 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 17-JUL-11 3SYI . 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) . 18379.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 278 66.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 39 9.3 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 . 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 . 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 . 93 22.1 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 3 1 0 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 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 0 0 PARALLEL BRIDGES PER LADDER . 3 0 3 1 1 1 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 0 142 0, 0.0 3,-0.1 0, 0.0 31,-0.0 0.000 360.0 360.0 360.0-168.2 13.9 -31.8 4.4 2 -1 A R + 0 0 264 1,-0.3 3,-0.1 2,-0.1 0, 0.0 0.597 360.0 1.6 -50.6 -20.5 11.2 -31.8 1.7 3 0 A G S S+ 0 0 76 1,-0.1 2,-0.3 0, 0.0 -1,-0.3 0.379 131.8 54.3-147.5 -7.8 10.3 -28.1 2.3 4 1 A S S S- 0 0 28 -3,-0.1 28,-0.3 27,-0.0 -2,-0.1 -0.740 87.0-140.2-131.2 85.6 12.7 -26.9 4.9 5 2 A A - 0 0 9 -2,-0.3 27,-0.9 26,-0.1 2,-0.7 -0.036 3.8-131.7 -54.3 141.3 16.2 -27.8 3.6 6 3 A H E -a 32 0A 19 25,-0.2 96,-3.1 27,-0.1 97,-1.9 -0.874 21.6-161.6 -94.2 115.0 18.9 -29.0 5.9 7 4 A V E -ab 33 103A 0 25,-2.8 27,-2.5 -2,-0.7 2,-0.5 -0.877 3.4-165.5-102.0 115.3 22.2 -27.2 5.4 8 5 A V E -ab 34 104A 0 95,-3.0 97,-3.1 -2,-0.6 2,-0.5 -0.884 4.1-160.0-101.5 130.4 25.3 -28.8 6.7 9 6 A I E -ab 35 105A 0 25,-3.8 27,-2.7 -2,-0.5 2,-0.7 -0.942 8.2-153.6-108.5 123.4 28.6 -26.8 7.0 10 7 A L E +ab 36 106A 6 95,-3.4 97,-3.0 -2,-0.5 27,-0.2 -0.852 63.7 25.9-102.6 112.4 31.7 -29.0 7.2 11 8 A G - 0 0 8 25,-3.7 2,-0.6 -2,-0.7 26,-0.2 0.423 60.3-142.1 104.9 117.7 34.7 -27.3 9.0 12 9 A A + 0 0 8 4,-0.2 2,-0.1 27,-0.1 -1,-0.1 -0.532 62.2 107.4-107.7 64.6 34.5 -24.6 11.6 13 10 A G S > S- 0 0 28 -2,-0.6 4,-2.1 94,-0.4 31,-0.1 -0.239 89.2 -45.2-117.9-151.8 37.5 -22.5 10.7 14 11 A T T 4 S+ 0 0 36 1,-0.2 290,-0.1 2,-0.2 5,-0.0 0.855 141.5 24.1 -52.2 -42.0 38.2 -19.2 9.1 15 12 A G T > S+ 0 0 8 92,-0.2 4,-1.4 288,-0.1 -1,-0.2 0.836 121.6 54.9 -90.7 -35.2 35.5 -19.8 6.4 16 13 A G H > S+ 0 0 0 91,-0.4 4,-2.0 2,-0.2 -4,-0.2 0.897 102.8 53.2 -70.7 -44.2 33.3 -22.3 8.1 17 14 A M H X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 3,-0.3 0.956 114.3 40.1 -56.2 -59.0 32.4 -20.5 11.3 18 15 A P H > S+ 0 0 0 0, 0.0 4,-3.0 0, 0.0 5,-0.3 0.852 111.3 60.2 -60.5 -30.8 31.2 -17.3 9.6 19 16 A A H X S+ 0 0 0 -4,-1.4 4,-2.5 1,-0.2 -2,-0.2 0.892 104.0 50.1 -65.3 -35.9 29.5 -19.5 7.0 20 17 A A H X S+ 0 0 0 -4,-2.0 4,-2.5 -3,-0.3 -1,-0.2 0.934 114.4 42.9 -65.2 -48.5 27.4 -21.1 9.7 21 18 A Y H X S+ 0 0 5 -4,-1.8 4,-2.8 2,-0.2 5,-0.2 0.938 117.4 45.4 -61.7 -49.9 26.3 -17.8 11.2 22 19 A E H X S+ 0 0 8 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.910 113.6 51.1 -64.8 -39.5 25.7 -16.2 7.9 23 20 A M H X S+ 0 0 0 -4,-2.5 4,-2.1 -5,-0.3 5,-0.2 0.944 112.1 45.6 -58.8 -49.0 23.9 -19.2 6.7 24 21 A K H X S+ 0 0 32 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.927 113.4 50.1 -63.0 -45.2 21.6 -19.3 9.8 25 22 A E H < S+ 0 0 126 -4,-2.8 -1,-0.2 384,-0.3 -2,-0.2 0.896 113.6 45.3 -58.2 -44.7 20.9 -15.6 9.5 26 23 A A H < S+ 0 0 24 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.819 118.9 40.6 -71.7 -32.2 20.0 -15.8 5.8 27 24 A L H >< S- 0 0 19 -4,-2.1 3,-0.5 -5,-0.2 -2,-0.2 0.736 93.3-163.7 -90.3 -26.6 17.8 -18.9 6.2 28 25 A G G >< - 0 0 30 -4,-2.4 3,-1.3 -5,-0.2 -1,-0.1 -0.165 47.4 -37.7 69.6-165.2 16.0 -18.1 9.4 29 26 A S G 3 S+ 0 0 123 1,-0.3 -1,-0.2 -4,-0.1 -4,-0.0 0.647 123.1 73.1 -73.6 -16.9 14.1 -20.3 11.7 30 27 A G G < S+ 0 0 46 -3,-0.5 2,-0.3 2,-0.0 -1,-0.3 0.524 94.5 58.1 -77.7 -5.0 12.5 -22.4 9.0 31 28 A H S < S- 0 0 42 -3,-1.3 2,-0.5 -7,-0.1 -25,-0.2 -0.945 77.3-124.3-129.7 150.0 15.7 -24.2 8.1 32 29 A E E -a 6 0A 81 -27,-0.9 -25,-2.8 -28,-0.3 2,-0.6 -0.780 21.2-167.7 -91.9 125.6 18.2 -26.4 10.0 33 30 A V E -a 7 0A 0 -2,-0.5 42,-2.5 40,-0.5 2,-0.5 -0.960 5.9-172.8-113.7 116.5 21.9 -25.3 10.0 34 31 A T E -ac 8 75A 6 -27,-2.5 -25,-3.8 -2,-0.6 2,-0.6 -0.939 8.5-160.9-110.7 127.2 24.4 -27.9 11.2 35 32 A L E -ac 9 76A 0 40,-3.4 42,-2.5 -2,-0.5 2,-0.4 -0.942 10.3-173.3-105.9 115.6 28.1 -27.1 11.7 36 33 A I E +ac 10 77A 0 -27,-2.7 -25,-3.7 -2,-0.6 2,-0.3 -0.931 12.2 161.3-108.7 133.9 30.4 -30.2 11.8 37 34 A S - 0 0 15 40,-2.1 42,-0.1 -2,-0.4 71,-0.0 -0.995 45.2-125.4-153.5 149.4 34.1 -29.9 12.7 38 35 A A S S+ 0 0 57 -2,-0.3 2,-0.3 40,-0.1 42,-0.3 0.710 96.4 47.5 -70.3 -22.2 37.0 -32.1 13.9 39 36 A N S S- 0 0 67 40,-0.2 40,-0.1 2,-0.1 -27,-0.1 -0.868 72.2-139.4-117.7 156.7 37.7 -29.9 17.0 40 37 A D S S+ 0 0 94 -2,-0.3 25,-2.8 38,-0.1 26,-0.5 0.403 85.0 67.1 -92.5 1.6 35.4 -28.4 19.5 41 38 A Y E S-F 64 0B 37 23,-0.3 2,-0.4 24,-0.1 -2,-0.1 -0.907 74.4-132.4-123.4 152.3 37.3 -25.2 19.5 42 39 A F E -F 63 0B 1 21,-3.1 21,-2.0 -2,-0.3 2,-0.4 -0.830 23.4-161.7 -96.4 137.0 37.9 -22.4 17.0 43 40 A Q E -F 62 0B 26 -2,-0.4 2,-1.1 19,-0.2 19,-0.2 -0.938 22.0-129.7-120.7 146.9 41.5 -21.2 16.5 44 41 A F > - 0 0 6 17,-2.2 3,-1.9 -2,-0.4 4,-0.2 -0.776 25.8-163.3 -92.3 95.2 42.7 -18.0 15.0 45 42 A V G > S+ 0 0 64 -2,-1.1 3,-2.4 1,-0.3 -1,-0.2 0.794 78.6 63.4 -53.7 -43.7 45.2 -19.4 12.5 46 43 A P G 3 S+ 0 0 46 0, 0.0 -1,-0.3 0, 0.0 4,-0.2 0.662 98.8 59.9 -59.0 -15.6 47.3 -16.3 11.7 47 44 A S G X> S+ 0 0 3 -3,-1.9 4,-1.5 1,-0.2 3,-0.6 0.526 78.3 92.8 -86.9 -5.9 48.4 -16.2 15.3 48 45 A N H <> S+ 0 0 0 -3,-2.4 4,-1.9 -4,-0.2 -1,-0.2 0.860 75.4 59.7 -62.1 -35.9 50.0 -19.6 15.2 49 46 A P H 34 S+ 0 0 4 0, 0.0 4,-0.4 0, 0.0 -1,-0.2 0.904 106.0 50.2 -61.4 -35.2 53.6 -18.4 14.4 50 47 A W H X>>S+ 0 0 34 -3,-0.6 5,-2.4 1,-0.2 3,-1.1 0.882 107.5 52.8 -65.9 -39.1 53.6 -16.4 17.6 51 48 A V H 3<5S+ 0 0 5 -4,-1.5 3,-0.5 4,-0.2 -1,-0.2 0.869 103.4 61.1 -60.6 -32.8 52.4 -19.4 19.6 52 49 A G T 3<5S+ 0 0 0 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.551 111.4 35.5 -76.1 -9.0 55.3 -21.3 18.0 53 50 A V T <45S- 0 0 1 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.325 120.3-107.7-118.4 -0.1 58.0 -19.0 19.5 54 51 A G T <5S+ 0 0 32 -4,-0.7 -3,-0.2 -3,-0.5 -2,-0.1 0.599 85.0 121.6 89.6 13.3 56.0 -18.6 22.7 55 52 A W S > - 0 0 121 -2,-0.3 3,-2.4 1,-0.1 4,-0.8 -0.831 25.0-120.1-107.9 148.6 49.3 -18.8 24.4 58 55 A R H >> S+ 0 0 53 -2,-0.3 4,-1.4 1,-0.3 3,-1.1 0.863 114.4 63.6 -46.1 -41.0 46.6 -21.2 23.0 59 56 A D H 34 S+ 0 0 121 1,-0.3 -1,-0.3 2,-0.2 -3,-0.0 0.682 100.3 52.3 -63.8 -18.5 44.3 -19.6 25.5 60 57 A D H <4 S+ 0 0 94 -3,-2.4 -1,-0.3 1,-0.1 -2,-0.2 0.696 119.1 30.5 -89.7 -22.5 44.6 -16.3 23.8 61 58 A I H << S+ 0 0 0 -3,-1.1 -17,-2.2 -4,-0.8 2,-0.3 0.385 112.4 58.0-122.8 0.6 43.8 -17.4 20.2 62 59 A A E < +F 43 0B 17 -4,-1.4 -19,-0.2 -19,-0.2 -1,-0.0 -0.965 51.7 170.8-135.8 151.7 41.4 -20.4 20.7 63 60 A F E -F 42 0B 14 -21,-2.0 -21,-3.1 -2,-0.3 2,-0.3 -0.983 40.7 -86.8-155.6 158.2 38.0 -20.9 22.3 64 61 A P E -F 41 0B 88 0, 0.0 4,-0.4 0, 0.0 -23,-0.3 -0.529 31.2-156.7 -73.6 133.7 35.2 -23.5 22.5 65 62 A I >> + 0 0 0 -25,-2.8 4,-1.5 -2,-0.3 3,-0.7 0.904 68.5 81.2 -76.7 -44.4 32.6 -23.3 19.7 66 63 A R H 3> S+ 0 0 98 -26,-0.5 4,-2.6 1,-0.3 5,-0.3 0.746 92.0 42.7 -43.1 -57.8 29.5 -24.9 21.1 67 64 A H H 3> S+ 0 0 115 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.923 113.1 52.7 -58.3 -46.0 27.9 -22.2 23.2 68 65 A Y H <4 S+ 0 0 56 -3,-0.7 -1,-0.2 -4,-0.4 -2,-0.2 0.857 117.0 35.6 -64.7 -37.1 28.4 -19.4 20.7 69 66 A V H ><>S+ 0 0 0 -4,-1.5 5,-2.0 2,-0.1 3,-1.3 0.864 116.7 52.8 -83.2 -34.8 26.9 -21.2 17.7 70 67 A E H ><5S+ 0 0 86 -4,-2.6 3,-2.2 -5,-0.3 -2,-0.2 0.872 99.0 62.1 -70.7 -33.6 24.1 -22.9 19.6 71 68 A R T 3<5S+ 0 0 153 -4,-2.5 -1,-0.3 -5,-0.3 -2,-0.1 0.546 105.9 51.7 -64.1 -2.1 23.0 -19.7 21.2 72 69 A K T < 5S- 0 0 102 -3,-1.3 -1,-0.3 2,-0.2 -2,-0.2 0.367 124.7-103.5-116.1 -1.0 22.3 -18.8 17.6 73 70 A G T < 5S+ 0 0 38 -3,-2.2 -40,-0.5 1,-0.3 2,-0.5 0.599 77.2 134.9 88.3 13.2 20.3 -21.9 16.8 74 71 A I < - 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