==== 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 22-JUL-11 3T2K . 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) . 18327.0 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 . 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 . 42 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 98 23.3 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 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 2 3 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 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 0 141 0, 0.0 3,-1.6 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 171.7 14.0 -32.1 4.5 2 -1 A R T 3 + 0 0 236 1,-0.3 100,-0.0 2,-0.2 0, 0.0 -0.352 360.0 3.8 -68.7 138.5 11.6 -30.7 2.0 3 0 A G T 3 S+ 0 0 84 -2,-0.1 -1,-0.3 1,-0.1 340,-0.0 0.542 134.7 61.1 64.2 5.3 10.4 -27.1 2.5 4 1 A S S < S- 0 0 29 -3,-1.6 28,-0.3 27,-0.0 -2,-0.2 -0.257 82.9-162.8-156.7 55.1 12.9 -27.2 5.4 5 2 A A - 0 0 8 26,-0.1 27,-1.1 1,-0.1 2,-0.6 -0.006 13.2-134.7 -50.1 143.0 16.3 -27.9 3.9 6 3 A H E -a 32 0A 20 25,-0.2 96,-2.8 27,-0.1 97,-1.9 -0.909 20.4-165.6-102.7 116.2 19.2 -29.1 6.1 7 4 A V E -ab 33 103A 0 25,-2.6 27,-2.6 -2,-0.6 2,-0.5 -0.903 1.0-163.2-107.3 123.9 22.4 -27.2 5.4 8 5 A V E -ab 34 104A 0 95,-2.6 97,-3.2 -2,-0.5 2,-0.6 -0.896 6.7-158.2-106.1 129.8 25.7 -28.6 6.7 9 6 A I E -ab 35 105A 0 25,-3.2 27,-3.1 -2,-0.5 2,-0.7 -0.942 12.4-153.7-103.3 123.4 28.9 -26.6 7.1 10 7 A L E +ab 36 106A 8 95,-3.1 97,-2.7 -2,-0.6 27,-0.2 -0.853 64.1 24.9-101.7 112.9 31.9 -28.9 7.2 11 8 A G - 0 0 8 25,-3.7 2,-0.8 -2,-0.7 26,-0.2 0.517 62.8-139.7 101.3 111.2 34.9 -27.4 9.0 12 9 A A + 0 0 8 4,-0.2 2,-0.1 27,-0.1 -1,-0.1 -0.541 63.4 107.4-100.4 64.2 34.8 -24.7 11.7 13 10 A G S > S- 0 0 27 -2,-0.8 4,-2.7 94,-0.4 31,-0.1 -0.290 89.7 -45.8-115.1-152.7 37.8 -22.6 10.7 14 11 A T T 4 S+ 0 0 37 1,-0.2 290,-0.1 2,-0.2 -2,-0.0 0.746 140.0 26.7 -56.8 -31.6 38.3 -19.2 9.1 15 12 A G T > S+ 0 0 7 92,-0.2 4,-2.2 288,-0.1 -1,-0.2 0.844 122.8 49.4 -92.5 -45.9 35.7 -19.8 6.4 16 13 A G H > S+ 0 0 0 91,-0.4 4,-2.3 2,-0.2 5,-0.2 0.860 103.1 58.5 -69.4 -39.4 33.4 -22.3 8.1 17 14 A M H X S+ 0 0 0 -4,-2.7 4,-1.4 1,-0.2 -1,-0.2 0.959 115.1 35.9 -55.0 -57.0 32.9 -20.4 11.4 18 15 A P H > S+ 0 0 0 0, 0.0 4,-3.5 0, 0.0 5,-0.3 0.897 112.3 62.4 -62.4 -37.4 31.5 -17.3 9.7 19 16 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.894 103.5 47.8 -58.3 -39.3 29.7 -19.5 7.1 20 17 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.910 114.8 46.0 -68.4 -42.4 27.6 -21.2 9.7 21 18 A Y H X S+ 0 0 6 -4,-1.4 4,-2.5 -5,-0.2 -2,-0.2 0.953 116.4 44.2 -59.6 -52.9 26.6 -17.9 11.3 22 19 A E H X S+ 0 0 10 -4,-3.5 4,-2.1 1,-0.2 -2,-0.2 0.840 112.8 53.0 -65.9 -34.5 25.9 -16.3 7.9 23 20 A M H X S+ 0 0 0 -4,-2.5 4,-2.6 -5,-0.3 5,-0.3 0.921 110.2 45.7 -67.2 -46.2 24.0 -19.3 6.7 24 21 A K H X S+ 0 0 35 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.918 113.3 51.1 -63.2 -42.5 21.7 -19.4 9.8 25 22 A E H < S+ 0 0 121 -4,-2.5 -1,-0.2 384,-0.3 -2,-0.2 0.898 114.5 44.2 -59.1 -41.2 21.2 -15.7 9.4 26 23 A A H < S+ 0 0 20 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.881 118.6 39.9 -73.7 -39.3 20.3 -16.1 5.7 27 24 A L H >< S- 0 0 20 -4,-2.6 3,-0.5 1,-0.2 -2,-0.2 0.716 94.1-159.6 -87.6 -25.3 18.0 -19.1 6.0 28 25 A G G >< - 0 0 31 -4,-2.2 3,-1.1 -5,-0.3 -1,-0.2 -0.154 45.2 -39.6 73.6-168.1 16.2 -18.2 9.2 29 26 A S G 3 S+ 0 0 124 1,-0.3 -1,-0.2 -4,-0.1 -4,-0.0 0.569 124.0 69.9 -74.3 -10.7 14.3 -20.4 11.6 30 27 A G G < S+ 0 0 42 -3,-0.5 2,-0.4 2,-0.0 -1,-0.3 0.330 94.8 62.6 -92.4 8.2 12.7 -22.6 9.0 31 28 A H S < S- 0 0 39 -3,-1.1 2,-0.5 -7,-0.1 -25,-0.2 -0.990 77.9-128.7-135.4 142.3 15.9 -24.3 8.1 32 29 A E E -a 6 0A 81 -27,-1.1 -25,-2.6 -2,-0.4 2,-0.5 -0.786 21.0-166.5 -91.7 125.1 18.3 -26.4 10.1 33 30 A V E -a 7 0A 0 -2,-0.5 42,-2.6 40,-0.5 2,-0.5 -0.966 5.3-173.2-112.6 123.8 22.0 -25.4 10.0 34 31 A T E -ac 8 75A 5 -27,-2.6 -25,-3.2 -2,-0.5 2,-0.6 -0.964 10.9-157.6-118.2 128.3 24.5 -27.9 11.3 35 32 A L E -ac 9 76A 0 40,-3.7 42,-2.3 -2,-0.5 2,-0.4 -0.921 13.0-171.6-102.8 119.6 28.3 -27.1 11.7 36 33 A I E +ac 10 77A 0 -27,-3.1 -25,-3.7 -2,-0.6 2,-0.3 -0.944 14.3 157.7-115.0 129.9 30.5 -30.2 11.7 37 34 A S E - c 0 78A 18 40,-2.1 42,-0.6 -2,-0.4 71,-0.0 -1.000 47.0-121.2-156.9 150.1 34.2 -30.0 12.6 38 35 A A S S+ 0 0 59 -2,-0.3 42,-0.3 40,-0.2 2,-0.3 0.835 95.6 42.5 -63.0 -39.9 37.1 -32.1 13.8 39 36 A N S S- 0 0 68 2,-0.2 40,-0.2 40,-0.2 -27,-0.1 -0.731 74.5-132.1-106.0 160.0 37.9 -30.1 17.0 40 37 A D S S+ 0 0 90 -2,-0.3 25,-2.4 38,-0.2 26,-0.5 0.356 85.8 66.6 -88.3 7.4 35.6 -28.5 19.5 41 38 A Y E S-F 64 0B 37 23,-0.3 2,-0.3 24,-0.1 -2,-0.2 -0.963 72.4-131.4-135.1 146.7 37.4 -25.2 19.4 42 39 A F E -F 63 0B 0 21,-2.5 21,-2.0 -2,-0.4 2,-0.4 -0.724 25.3-165.3 -86.9 141.8 38.0 -22.3 17.0 43 40 A Q E -F 62 0B 27 -2,-0.3 2,-1.4 19,-0.2 19,-0.2 -0.988 24.9-126.0-129.5 141.8 41.6 -21.1 16.6 44 41 A F > - 0 0 6 17,-2.4 3,-2.3 -2,-0.4 4,-0.3 -0.697 26.5-163.4 -87.1 91.9 42.9 -17.9 15.0 45 42 A V G > S+ 0 0 65 -2,-1.4 3,-2.5 1,-0.3 -1,-0.2 0.795 80.0 62.7 -46.2 -48.1 45.3 -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 0.633 99.4 59.3 -58.6 -13.0 47.4 -16.3 11.7 47 44 A S G X> S+ 0 0 5 -3,-2.3 4,-1.4 1,-0.1 3,-0.7 0.537 79.9 89.7 -90.5 -9.4 48.5 -16.2 15.4 48 45 A N H <> S+ 0 0 0 -3,-2.5 4,-2.6 -4,-0.3 3,-0.4 0.911 76.7 59.9 -57.9 -47.6 50.1 -19.6 15.3 49 46 A P H 3> S+ 0 0 6 0, 0.0 4,-0.6 0, 0.0 -1,-0.2 0.863 106.7 51.1 -48.9 -36.5 53.6 -18.5 14.3 50 47 A W H X>>S+ 0 0 32 -3,-0.7 5,-3.2 1,-0.2 6,-0.7 0.853 106.8 50.8 -71.3 -37.1 53.6 -16.5 17.5 51 48 A V H ><5S+ 0 0 6 -4,-1.4 3,-0.8 -3,-0.4 -1,-0.2 0.890 103.8 63.3 -60.3 -35.7 52.6 -19.4 19.6 52 49 A G H 3<5S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.716 111.4 34.3 -62.1 -24.6 55.5 -21.2 17.9 53 50 A V H <<5S- 0 0 1 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.362 120.1-106.7-109.6 -0.3 58.0 -18.8 19.4 54 51 A G T <<5S+ 0 0 30 -3,-0.8 -3,-0.2 -4,-0.6 -2,-0.1 0.698 83.9 124.5 85.0 21.1 56.0 -18.4 22.7 55 52 A W S > - 0 0 121 -2,-0.3 3,-1.2 1,-0.1 4,-0.7 -0.633 28.5-112.4-100.0 160.3 49.3 -18.7 24.5 58 55 A R H >> S+ 0 0 54 1,-0.2 3,-1.4 -2,-0.2 4,-1.3 0.923 117.0 56.1 -53.1 -45.1 46.7 -21.2 23.3 59 56 A D H 34 S+ 0 0 129 1,-0.3 -1,-0.2 2,-0.2 -3,-0.0 0.634 99.1 60.9 -69.5 -14.2 44.0 -19.4 25.3 60 57 A D H <4 S+ 0 0 90 -3,-1.2 -1,-0.3 1,-0.1 -2,-0.2 0.756 118.9 25.4 -77.8 -23.5 44.7 -16.1 23.7 61 58 A I H << S+ 0 0 0 -3,-1.4 -17,-2.4 -4,-0.7 2,-0.3 0.441 115.0 60.5-124.5 -1.0 43.8 -17.4 20.2 62 59 A A E < +F 43 0B 19 -4,-1.3 -19,-0.2 -19,-0.2 -1,-0.0 -0.950 50.5 173.2-133.3 149.8 41.4 -20.3 20.7 63 60 A F E -F 42 0B 11 -21,-2.0 -21,-2.5 -2,-0.3 2,-0.2 -0.991 40.4 -90.6-153.8 152.3 38.0 -20.8 22.3 64 61 A P E -F 41 0B 84 0, 0.0 4,-0.4 0, 0.0 -23,-0.3 -0.480 32.8-158.7 -64.1 131.5 35.3 -23.4 22.7 65 62 A I >> + 0 0 0 -25,-2.4 4,-1.4 -2,-0.2 3,-0.6 0.866 68.5 79.8 -81.9 -40.4 32.7 -23.2 19.8 66 63 A R H 3> S+ 0 0 104 -26,-0.5 4,-2.1 1,-0.3 3,-0.2 0.788 93.3 44.9 -45.6 -54.8 29.6 -25.0 21.1 67 64 A H H 3> S+ 0 0 111 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.925 110.9 54.3 -57.1 -45.8 28.0 -22.2 23.2 68 65 A Y H <4 S+ 0 0 54 -3,-0.6 -1,-0.2 -4,-0.4 -2,-0.2 0.802 115.4 35.8 -66.6 -33.2 28.6 -19.5 20.7 69 66 A V H ><>S+ 0 0 0 -4,-1.4 5,-2.2 -3,-0.2 3,-1.7 0.836 111.8 58.8 -85.8 -36.1 26.8 -21.1 17.7 70 67 A E H ><5S+ 0 0 92 -4,-2.1 3,-1.7 1,-0.3 -2,-0.2 0.841 99.1 57.7 -66.3 -31.8 24.1 -22.9 19.7 71 68 A R T 3<5S+ 0 0 116 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.1 0.497 106.2 53.0 -75.7 0.1 22.8 -19.6 21.1 72 69 A K T < 5S- 0 0 92 -3,-1.7 -1,-0.3 2,-0.2 -2,-0.2 0.225 126.5-102.2-114.2 9.6 22.4 -18.6 17.4 73 70 A G T < 5S+ 0 0 39 -3,-1.7 -40,-0.5 1,-0.3 2,-0.4 0.596 77.2 137.6 82.4 13.8 20.4 -21.7 16.6 74 71 A I < - 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