==== 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 20-JUL-11 3T0K . COMPND 2 MOLECULE: SULFIDE-QUINONE REDUCTASE, PUTATIVE; . SOURCE 2 ORGANISM_SCIENTIFIC: ACIDITHIOBACILLUS FERROOXIDANS ATCC 23 . 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) . 18315.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 285 67.7 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 . 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 . 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 . 34 8.1 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 . 94 22.3 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 0 136 0, 0.0 3,-2.5 0, 0.0 101,-0.1 0.000 360.0 360.0 360.0 167.2 13.9 -31.8 4.5 2 -1 A R T 3 + 0 0 251 1,-0.3 100,-0.0 2,-0.1 0, 0.0 -0.274 360.0 3.3 -54.8 125.4 11.4 -30.9 1.8 3 0 A G T 3 S+ 0 0 82 1,-0.0 -1,-0.3 340,-0.0 340,-0.0 0.321 133.4 61.6 79.9 -8.9 10.2 -27.4 2.2 4 1 A S S < S- 0 0 27 -3,-2.5 28,-0.3 27,-0.0 -2,-0.1 -0.466 83.4-155.2-146.0 65.8 12.6 -27.0 5.1 5 2 A A - 0 0 8 26,-0.1 27,-0.8 1,-0.1 2,-0.6 -0.091 7.5-138.2 -50.9 135.0 16.1 -27.6 3.7 6 3 A H E -a 32 0A 19 25,-0.2 96,-2.9 27,-0.1 97,-1.9 -0.870 18.7-162.7 -97.8 115.2 18.8 -28.8 6.0 7 4 A V E -ab 33 103A 0 25,-2.7 27,-2.5 -2,-0.6 2,-0.4 -0.854 3.2-166.3-103.6 127.4 22.2 -27.0 5.4 8 5 A V E -ab 34 104A 0 95,-2.6 97,-3.0 -2,-0.5 2,-0.5 -0.934 6.8-158.8-112.7 132.8 25.4 -28.5 6.8 9 6 A I E -ab 35 105A 0 25,-3.0 27,-2.8 -2,-0.4 2,-0.8 -0.949 11.3-151.4-108.4 123.5 28.7 -26.6 7.0 10 7 A L E +ab 36 106A 9 95,-2.9 97,-2.7 -2,-0.5 27,-0.2 -0.838 64.9 22.7-101.3 107.9 31.8 -28.8 7.2 11 8 A G - 0 0 8 25,-3.7 2,-0.7 -2,-0.8 26,-0.2 0.359 61.9-137.2 108.9 122.9 34.7 -27.2 9.1 12 9 A A + 0 0 8 4,-0.2 2,-0.1 27,-0.1 -1,-0.1 -0.591 62.2 108.9-109.0 67.5 34.7 -24.4 11.7 13 10 A G S > S- 0 0 28 -2,-0.7 4,-2.1 94,-0.3 31,-0.1 -0.164 89.1 -49.3-119.1-150.0 37.6 -22.3 10.6 14 11 A T T 4 S+ 0 0 34 1,-0.2 290,-0.1 2,-0.2 5,-0.1 0.876 141.2 26.8 -59.1 -40.8 38.2 -18.9 9.0 15 12 A G T > S+ 0 0 8 92,-0.2 4,-2.0 2,-0.1 -1,-0.2 0.896 122.2 51.6 -84.5 -45.7 35.6 -19.6 6.3 16 13 A G H > S+ 0 0 0 91,-0.4 4,-1.8 2,-0.2 -4,-0.2 0.830 104.8 51.7 -67.9 -38.0 33.4 -22.2 8.0 17 14 A M H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 3,-0.2 0.956 113.8 43.2 -67.6 -51.6 32.6 -20.3 11.3 18 15 A P H > S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.893 110.7 59.7 -54.8 -39.5 31.4 -17.1 9.5 19 16 A A H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.885 103.5 50.4 -58.5 -38.5 29.6 -19.4 7.0 20 17 A A H X S+ 0 0 0 -4,-1.8 4,-2.4 -3,-0.2 5,-0.2 0.958 113.4 43.1 -65.8 -51.9 27.5 -20.9 9.8 21 18 A Y H X S+ 0 0 4 -4,-1.8 4,-2.5 1,-0.2 5,-0.2 0.928 117.3 46.9 -57.5 -47.0 26.4 -17.6 11.3 22 19 A E H X S+ 0 0 7 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.908 111.2 50.9 -67.3 -40.6 25.7 -16.1 7.9 23 20 A M H X S+ 0 0 0 -4,-2.5 4,-2.6 -5,-0.3 5,-0.3 0.951 112.3 46.7 -59.5 -49.9 23.8 -19.2 6.7 24 21 A K H X S+ 0 0 31 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.906 113.3 48.2 -61.0 -42.6 21.6 -19.1 9.7 25 22 A E H < S+ 0 0 121 -4,-2.5 -1,-0.2 384,-0.2 -2,-0.2 0.912 113.9 48.2 -62.8 -41.2 21.0 -15.4 9.5 26 23 A A H < S+ 0 0 23 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.901 121.4 33.2 -65.9 -42.3 20.2 -15.8 5.8 27 24 A L H < S- 0 0 25 -4,-2.6 3,-0.4 -5,-0.2 -2,-0.2 0.876 92.1-164.4 -88.7 -43.3 17.8 -18.7 6.2 28 25 A G >< - 0 0 26 -4,-2.7 3,-1.4 -5,-0.3 -1,-0.1 -0.362 47.4 -32.9 89.2-167.3 16.1 -18.1 9.5 29 26 A S T 3 S+ 0 0 124 1,-0.3 -1,-0.2 -2,-0.1 -4,-0.0 0.668 123.3 68.9 -68.8 -17.7 14.1 -20.3 11.9 30 27 A G T 3 S+ 0 0 47 -3,-0.4 2,-0.3 2,-0.0 -1,-0.3 0.593 96.9 56.9 -79.8 -10.7 12.5 -22.4 9.1 31 28 A H S < S- 0 0 41 -3,-1.4 2,-0.4 -7,-0.1 -25,-0.2 -0.926 79.5-125.5-124.7 146.4 15.7 -24.1 8.1 32 29 A E E -a 6 0A 78 -27,-0.8 -25,-2.7 -2,-0.3 2,-0.5 -0.758 21.0-166.5 -91.2 131.3 18.2 -26.2 10.1 33 30 A V E -a 7 0A 0 40,-0.5 42,-2.8 -2,-0.4 2,-0.5 -0.977 5.8-174.7-120.1 121.9 21.8 -25.2 10.1 34 31 A T E -ac 8 75A 5 -27,-2.5 -25,-3.0 -2,-0.5 2,-0.5 -0.951 10.3-158.6-117.4 129.8 24.4 -27.6 11.4 35 32 A L E -ac 9 76A 0 40,-3.5 42,-2.6 -2,-0.5 2,-0.5 -0.944 11.5-170.0-106.5 127.4 28.1 -26.9 11.8 36 33 A I E +ac 10 77A 0 -27,-2.8 -25,-3.7 -2,-0.5 2,-0.3 -0.966 12.2 164.5-120.1 127.4 30.4 -29.9 11.9 37 34 A S - 0 0 15 40,-2.3 42,-0.3 -2,-0.5 71,-0.0 -0.997 44.6-129.0-146.9 150.9 34.1 -29.7 12.8 38 35 A A S S+ 0 0 61 -2,-0.3 2,-0.3 40,-0.1 42,-0.3 0.796 97.9 45.7 -62.1 -33.4 37.0 -31.9 13.9 39 36 A N S S- 0 0 63 40,-0.2 40,-0.2 2,-0.1 -27,-0.1 -0.858 72.8-139.1-113.7 152.3 37.8 -29.7 16.9 40 37 A D S S+ 0 0 94 -2,-0.3 25,-2.8 38,-0.2 26,-0.5 0.330 85.3 66.3 -86.9 8.1 35.4 -28.2 19.5 41 38 A Y E S-F 64 0B 36 23,-0.3 2,-0.4 24,-0.1 -2,-0.1 -0.935 74.2-131.4-131.1 151.0 37.3 -24.9 19.4 42 39 A F E -F 63 0B 0 21,-2.9 21,-1.9 -2,-0.3 2,-0.4 -0.826 23.4-164.4 -94.4 140.2 38.0 -22.1 16.9 43 40 A Q E -F 62 0B 27 -2,-0.4 2,-1.1 19,-0.2 19,-0.2 -0.987 22.8-130.9-125.4 138.3 41.6 -20.9 16.5 44 41 A F > - 0 0 6 17,-2.3 3,-2.0 -2,-0.4 4,-0.3 -0.737 26.4-162.5 -85.0 97.8 42.8 -17.7 14.8 45 42 A V G > S+ 0 0 62 -2,-1.1 3,-2.5 1,-0.3 -1,-0.2 0.810 77.9 66.2 -63.4 -35.8 45.3 -19.2 12.5 46 43 A P G 3 S+ 0 0 44 0, 0.0 -1,-0.3 0, 0.0 4,-0.3 0.653 98.1 60.2 -58.6 -11.9 47.4 -16.1 11.6 47 44 A S G X> S+ 0 0 4 -3,-2.0 4,-1.6 1,-0.2 3,-0.6 0.590 78.6 90.3 -88.2 -11.2 48.4 -16.1 15.3 48 45 A N H <> S+ 0 0 0 -3,-2.5 4,-2.6 -4,-0.3 5,-0.2 0.861 77.5 59.2 -60.3 -41.8 50.1 -19.5 15.2 49 46 A P H 3> S+ 0 0 6 0, 0.0 4,-0.6 0, 0.0 -1,-0.2 0.910 107.6 49.3 -48.8 -45.4 53.6 -18.4 14.3 50 47 A W H X>>S+ 0 0 27 -3,-0.6 5,-2.6 -4,-0.3 6,-1.1 0.860 108.8 51.0 -65.2 -37.2 53.6 -16.3 17.5 51 48 A V H ><5S+ 0 0 5 -4,-1.6 3,-0.9 4,-0.2 -1,-0.2 0.911 105.3 59.7 -60.3 -38.4 52.4 -19.2 19.5 52 49 A G H 3<5S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.647 111.1 37.9 -69.2 -16.7 55.3 -21.1 17.9 53 50 A V H <<5S- 0 0 1 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.377 118.3-108.8-110.2 -0.8 57.8 -18.7 19.3 54 51 A G T <<5S+ 0 0 33 -3,-0.9 -3,-0.2 -4,-0.7 -2,-0.1 0.654 86.7 119.6 86.3 15.6 56.0 -18.3 22.6 55 52 A W S > - 0 0 141 -2,-0.3 3,-2.1 1,-0.1 4,-0.9 -0.867 29.1-105.7-122.9 161.1 49.4 -18.7 24.0 58 55 A R H >> S+ 0 0 58 -2,-0.3 4,-1.7 1,-0.3 3,-1.2 0.881 116.7 55.7 -48.5 -49.3 46.5 -20.9 23.1 59 56 A D H 34 S+ 0 0 148 1,-0.3 -1,-0.3 2,-0.2 -3,-0.0 0.590 103.3 57.0 -69.0 -6.8 43.9 -19.2 25.3 60 57 A D H <4 S+ 0 0 106 -3,-2.1 -1,-0.3 1,-0.1 -2,-0.2 0.756 120.7 26.3 -86.7 -26.5 44.7 -15.9 23.6 61 58 A I H << S+ 0 0 0 -3,-1.2 -17,-2.3 -4,-0.9 2,-0.3 0.412 116.3 57.0-119.8 -0.8 43.9 -17.2 20.1 62 59 A A E < +F 43 0B 14 -4,-1.7 -19,-0.2 -19,-0.2 -1,-0.0 -0.965 49.8 171.6-135.8 152.4 41.4 -20.1 20.7 63 60 A F E -F 42 0B 12 -21,-1.9 -21,-2.9 -2,-0.3 2,-0.2 -0.989 41.0 -89.7-154.2 154.4 38.0 -20.6 22.3 64 61 A P E -F 41 0B 83 0, 0.0 4,-0.4 0, 0.0 -23,-0.3 -0.456 31.9-155.9 -67.6 137.1 35.3 -23.3 22.5 65 62 A I >> + 0 0 0 -25,-2.8 4,-1.6 -2,-0.2 3,-0.7 0.865 68.6 82.2 -83.8 -38.6 32.7 -23.0 19.8 66 63 A R H 3> S+ 0 0 104 -26,-0.5 4,-2.6 1,-0.3 5,-0.3 0.801 91.9 44.0 -44.9 -60.4 29.5 -24.6 21.1 67 64 A H H 3> S+ 0 0 120 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.885 112.1 53.0 -54.9 -43.1 28.0 -21.9 23.2 68 65 A Y H <4 S+ 0 0 57 -3,-0.7 -1,-0.2 -4,-0.4 -2,-0.2 0.890 117.0 34.1 -67.5 -40.2 28.5 -19.1 20.6 69 66 A V H ><>S+ 0 0 0 -4,-1.6 5,-2.1 -3,-0.2 3,-1.5 0.877 114.7 57.8 -82.4 -35.7 26.9 -20.9 17.6 70 67 A E H ><5S+ 0 0 89 -4,-2.6 3,-1.9 -5,-0.3 -2,-0.2 0.853 98.9 58.4 -61.9 -34.8 24.2 -22.6 19.6 71 68 A R T 3<5S+ 0 0 142 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.589 103.7 55.3 -75.5 -6.3 22.9 -19.4 21.0 72 69 A K T < 5S- 0 0 77 -3,-1.5 -1,-0.3 2,-0.2 -2,-0.2 0.352 127.0-101.1-100.0 2.3 22.3 -18.4 17.4 73 70 A G T < 5S+ 0 0 35 -3,-1.9 -40,-0.5 1,-0.3 2,-0.4 0.562 78.5 139.4 88.8 10.4 20.2 -21.5 16.7 74 71 A I < - 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