==== 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 15-JUL-11 3SY4 . 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) . 18169.0 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 . 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 . 31 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 10.0 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 . 6 1.4 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 1 1 0 0 1 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 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 0 145 0, 0.0 3,-1.3 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 170.4 13.8 -32.1 4.4 2 -1 A R T 3 - 0 0 251 1,-0.3 100,-0.0 2,-0.1 0, 0.0 -0.296 360.0 -1.8 -58.1 124.1 11.2 -31.0 1.8 3 0 A G T 3 S+ 0 0 73 -2,-0.1 -1,-0.3 1,-0.0 2,-0.1 0.135 132.7 63.9 82.0 -22.4 10.4 -27.3 2.1 4 1 A S S < S- 0 0 40 -3,-1.3 28,-0.4 27,-0.0 -2,-0.1 -0.571 82.8-159.1-128.8 66.7 12.8 -27.1 5.1 5 2 A A - 0 0 10 -2,-0.1 2,-0.6 26,-0.1 27,-0.4 -0.157 11.2-133.3 -53.8 135.3 16.1 -27.8 3.5 6 3 A H - 0 0 19 25,-0.2 96,-3.1 27,-0.0 97,-2.1 -0.838 20.1-162.1 -91.5 119.5 18.9 -29.0 5.9 7 4 A V E -ab 33 103A 0 25,-2.6 27,-2.3 -2,-0.6 2,-0.5 -0.898 2.4-164.8-106.8 121.6 22.2 -27.2 5.3 8 5 A V E -ab 34 104A 0 95,-2.9 97,-2.9 -2,-0.5 2,-0.5 -0.907 5.6-158.3-105.5 131.4 25.4 -28.7 6.7 9 6 A I E -ab 35 105A 0 25,-3.0 27,-2.7 -2,-0.5 2,-0.8 -0.950 11.5-151.7-104.6 120.8 28.7 -26.7 6.9 10 7 A L E +ab 36 106A 7 95,-3.0 97,-2.7 -2,-0.5 27,-0.2 -0.837 63.7 23.0 -98.9 107.9 31.7 -29.0 7.1 11 8 A G - 0 0 8 25,-3.5 2,-0.6 -2,-0.8 26,-0.2 0.322 61.7-137.6 109.3 124.1 34.6 -27.4 9.0 12 9 A A + 0 0 8 4,-0.2 2,-0.1 27,-0.1 -1,-0.1 -0.575 62.5 107.2-111.8 67.4 34.7 -24.6 11.6 13 10 A G S > S- 0 0 29 -2,-0.6 4,-2.0 94,-0.3 31,-0.1 -0.206 89.3 -46.4-119.3-151.2 37.6 -22.5 10.6 14 11 A T T 4 S+ 0 0 37 1,-0.2 290,-0.1 2,-0.2 5,-0.0 0.868 140.0 25.2 -54.2 -42.4 38.2 -19.1 9.0 15 12 A G T > S+ 0 0 8 92,-0.2 4,-2.2 2,-0.1 -1,-0.2 0.890 122.8 50.3 -86.3 -44.6 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 0.843 104.6 54.8 -72.0 -35.4 33.3 -22.3 7.9 17 14 A M H X S+ 0 0 0 -4,-2.0 4,-1.6 2,-0.2 3,-0.4 0.986 114.2 40.2 -64.0 -56.7 32.6 -20.6 11.2 18 15 A P H > S+ 0 0 0 0, 0.0 4,-2.9 0, 0.0 5,-0.3 0.892 111.8 60.3 -56.1 -37.5 31.4 -17.4 9.6 19 16 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.887 102.8 51.3 -56.5 -41.0 29.6 -19.6 7.0 20 17 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 -3,-0.4 5,-0.2 0.973 113.8 42.3 -61.2 -56.3 27.5 -21.2 9.8 21 18 A Y H X S+ 0 0 2 -4,-1.6 4,-2.5 1,-0.2 5,-0.2 0.916 117.2 47.2 -53.4 -50.0 26.4 -17.9 11.3 22 19 A E H X S+ 0 0 8 -4,-2.9 4,-2.3 -5,-0.2 -1,-0.2 0.887 111.8 50.9 -66.2 -35.1 25.7 -16.3 7.8 23 20 A M H X S+ 0 0 0 -4,-2.6 4,-2.4 -5,-0.3 5,-0.3 0.965 112.0 45.6 -66.3 -48.6 23.9 -19.3 6.7 24 21 A K H X S+ 0 0 32 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.894 113.7 50.0 -62.1 -40.5 21.6 -19.4 9.7 25 22 A E H < S+ 0 0 116 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.920 114.4 45.2 -60.5 -44.2 21.0 -15.6 9.5 26 23 A A H < S+ 0 0 23 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.809 121.2 36.0 -72.3 -33.7 20.2 -15.9 5.8 27 24 A L H < S- 0 0 21 -4,-2.4 3,-0.4 -5,-0.2 -2,-0.2 0.839 93.5-163.4 -93.3 -38.5 17.9 -19.0 6.1 28 25 A G >< - 0 0 28 -4,-2.6 3,-1.2 -5,-0.3 -1,-0.1 -0.349 45.7 -34.3 86.6-165.8 16.1 -18.3 9.4 29 26 A S T 3 S+ 0 0 123 1,-0.3 -1,-0.2 -4,-0.1 -4,-0.0 0.648 123.7 68.5 -72.3 -18.1 14.2 -20.5 11.7 30 27 A G T 3 S+ 0 0 44 -3,-0.4 2,-0.4 2,-0.0 -1,-0.3 0.375 95.9 60.8 -84.4 5.5 12.6 -22.6 9.0 31 28 A H S < S- 0 0 36 -3,-1.2 2,-0.4 -7,-0.1 -25,-0.2 -0.998 78.2-129.0-136.3 134.5 15.9 -24.3 8.0 32 29 A E - 0 0 82 -27,-0.4 -25,-2.6 -2,-0.4 2,-0.5 -0.683 20.5-166.7 -81.4 129.2 18.2 -26.5 10.0 33 30 A V E -a 7 0A 0 40,-0.4 42,-2.4 -2,-0.4 2,-0.5 -0.984 5.5-172.3-116.7 120.8 21.9 -25.4 9.9 34 31 A T E -ac 8 75A 5 -27,-2.3 -25,-3.0 -2,-0.5 2,-0.6 -0.964 9.6-158.3-116.4 125.5 24.4 -27.9 11.3 35 32 A L E -ac 9 76A 0 40,-3.5 42,-2.9 -2,-0.5 2,-0.5 -0.922 11.9-171.5-102.2 120.7 28.1 -27.1 11.7 36 33 A I E +ac 10 77A 0 -27,-2.7 -25,-3.5 -2,-0.6 2,-0.3 -0.954 12.1 164.1-113.6 128.8 30.4 -30.2 11.8 37 34 A S - 0 0 15 40,-2.6 42,-0.1 -2,-0.5 71,-0.0 -1.000 44.0-128.9-149.1 149.1 34.0 -29.9 12.7 38 35 A A S S+ 0 0 59 -2,-0.3 2,-0.3 40,-0.1 42,-0.3 0.785 96.5 46.2 -62.6 -32.6 37.0 -32.1 13.8 39 36 A N S S- 0 0 65 40,-0.2 40,-0.1 2,-0.1 -27,-0.1 -0.830 74.2-137.4-113.1 156.4 37.8 -29.9 16.8 40 37 A D S S+ 0 0 94 -2,-0.3 25,-2.9 38,-0.1 26,-0.6 0.417 85.0 64.4 -88.8 2.8 35.5 -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 -0.928 74.4-130.3-129.6 148.7 37.3 -25.2 19.4 42 39 A F E -F 63 0B 0 21,-2.7 21,-1.9 -2,-0.3 2,-0.4 -0.716 24.7-163.4 -87.3 145.2 37.9 -22.3 16.9 43 40 A Q E -F 62 0B 24 -2,-0.3 2,-1.2 19,-0.2 19,-0.2 -0.993 23.2-128.4-132.4 142.9 41.4 -21.1 16.4 44 41 A F > - 0 0 5 17,-2.0 3,-1.9 -2,-0.4 4,-0.3 -0.741 26.2-162.5 -89.1 95.9 42.7 -17.9 14.9 45 42 A V G > S+ 0 0 66 -2,-1.2 3,-2.5 1,-0.3 -1,-0.2 0.802 79.0 63.2 -52.3 -44.0 45.2 -19.4 12.4 46 43 A P G 3 S+ 0 0 45 0, 0.0 -1,-0.3 0, 0.0 4,-0.2 0.662 98.5 60.1 -60.9 -14.3 47.3 -16.2 11.6 47 44 A S G X> S+ 0 0 3 -3,-1.9 4,-1.5 1,-0.2 3,-0.5 0.542 78.8 91.6 -86.6 -8.3 48.3 -16.2 15.3 48 45 A N H <> S+ 0 0 0 -3,-2.5 4,-2.4 -4,-0.3 5,-0.2 0.874 76.4 59.7 -58.6 -40.9 50.0 -19.6 15.2 49 46 A P H 3> S+ 0 0 5 0, 0.0 4,-0.6 0, 0.0 -1,-0.2 0.901 106.1 50.0 -54.6 -40.4 53.5 -18.4 14.3 50 47 A W H X>>S+ 0 0 31 -3,-0.5 5,-2.1 -4,-0.2 3,-0.9 0.878 107.9 51.9 -65.6 -38.4 53.5 -16.4 17.5 51 48 A V H ><5S+ 0 0 5 -4,-1.5 3,-0.8 1,-0.2 -1,-0.2 0.901 103.8 61.6 -58.8 -37.7 52.4 -19.4 19.5 52 49 A G H 3<5S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.678 112.3 34.2 -65.9 -19.2 55.3 -21.2 17.8 53 50 A V H <<5S- 0 0 0 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.394 118.2-107.0-115.0 -0.4 57.9 -18.9 19.4 54 51 A G T <<5S+ 0 0 27 -4,-0.8 -3,-0.2 -3,-0.8 -2,-0.1 0.524 86.2 119.2 90.4 8.2 56.0 -18.4 22.7 55 52 A W S > - 0 0 123 -2,-0.3 3,-1.6 1,-0.1 4,-0.9 -0.827 28.0-116.0-113.8 153.5 49.2 -18.9 24.2 58 55 A R H >> S+ 0 0 57 -2,-0.3 4,-1.9 1,-0.3 3,-1.3 0.890 116.1 61.9 -47.9 -46.4 46.5 -21.2 23.0 59 56 A D H 34 S+ 0 0 138 1,-0.3 -1,-0.3 2,-0.2 -3,-0.0 0.772 102.2 52.4 -55.0 -28.5 44.2 -19.5 25.5 60 57 A D H <4 S+ 0 0 95 -3,-1.6 -1,-0.3 1,-0.1 -2,-0.2 0.755 120.1 29.4 -78.5 -26.4 44.7 -16.2 23.7 61 58 A I H << S+ 0 0 1 -3,-1.3 -17,-2.0 -4,-0.9 2,-0.3 0.478 112.7 56.3-119.0 -4.1 43.8 -17.5 20.2 62 59 A A E < +F 43 0B 17 -4,-1.9 -19,-0.2 -19,-0.2 -1,-0.0 -0.929 49.4 172.0-134.0 155.6 41.3 -20.3 20.6 63 60 A F E -F 42 0B 13 -21,-1.9 -21,-2.7 -2,-0.3 2,-0.2 -0.988 41.1 -87.7-157.9 155.7 37.9 -20.9 22.2 64 61 A P E -F 41 0B 86 0, 0.0 4,-0.4 0, 0.0 -23,-0.3 -0.466 31.5-154.2 -71.1 139.3 35.2 -23.6 22.4 65 62 A I S >> S+ 0 0 0 -25,-2.9 4,-1.5 -2,-0.2 3,-0.5 0.875 70.3 79.9 -81.3 -41.8 32.7 -23.3 19.6 66 63 A R H 3> S+ 0 0 102 -26,-0.6 4,-2.7 1,-0.2 3,-0.3 0.805 92.0 44.5 -42.7 -62.3 29.5 -24.9 21.0 67 64 A H H 3> S+ 0 0 115 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.908 112.9 51.8 -54.6 -44.9 27.9 -22.2 23.2 68 65 A Y H <4 S+ 0 0 51 -3,-0.5 -1,-0.2 -4,-0.4 -2,-0.2 0.846 116.9 36.0 -66.9 -36.3 28.5 -19.4 20.6 69 66 A V H ><>S+ 0 0 0 -4,-1.5 5,-2.2 -3,-0.3 3,-1.5 0.862 114.5 56.0 -84.1 -35.8 26.9 -21.1 17.6 70 67 A E H ><5S+ 0 0 93 -4,-2.7 3,-2.2 -5,-0.3 -2,-0.2 0.876 99.1 59.9 -63.4 -36.4 24.1 -22.9 19.6 71 68 A R T 3<5S+ 0 0 133 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.1 0.567 105.1 52.7 -69.8 -4.8 22.8 -19.6 21.1 72 69 A K T < 5S- 0 0 80 -3,-1.5 -1,-0.3 2,-0.2 -2,-0.2 0.318 126.6-101.9-107.8 2.8 22.3 -18.7 17.4 73 70 A G T < 5S+ 0 0 38 -3,-2.2 -40,-0.4 1,-0.3 2,-0.4 0.560 77.8 137.4 88.5 9.4 20.3 -21.8 16.7 74 71 A I < - 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