==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 16-NOV-09 3KPK . COMPND 2 MOLECULE: SULFIDE-QUINONE REDUCTASE, PUTATIVE; . SOURCE 2 ORGANISM_SCIENTIFIC: ACIDITHIOBACILLUS FERROOXIDANS ATCC 23 . AUTHOR M.M.CHERNEY,Y.ZHANG,M.SOLOMONSON,J.H.WEINER,M.N.G.JAMES . 418 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18003.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 284 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 9.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 13.4 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 . 32 7.7 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 23.0 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 1 1 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 1 A M 0 0 205 0, 0.0 28,-0.2 0, 0.0 27,-0.1 0.000 360.0 360.0 360.0-108.1 12.7 -27.8 5.3 2 2 A A - 0 0 8 26,-0.1 27,-1.1 1,-0.1 2,-0.7 -0.150 360.0-146.3 -63.9 134.2 16.3 -27.8 3.9 3 3 A H E -a 29 0A 23 25,-0.2 96,-3.2 27,-0.1 97,-2.0 -0.862 15.7-168.4 -98.4 110.5 19.2 -29.1 6.0 4 4 A V E -ab 30 100A 0 25,-2.6 27,-2.4 -2,-0.7 2,-0.5 -0.875 1.4-164.8-100.5 123.8 22.4 -27.2 5.4 5 5 A V E -ab 31 101A 0 95,-2.8 97,-3.3 -2,-0.5 2,-0.6 -0.916 7.8-158.3-107.0 130.7 25.7 -28.7 6.7 6 6 A I E -ab 32 102A 0 25,-2.9 27,-2.9 -2,-0.5 2,-0.8 -0.947 13.1-152.3-103.2 122.6 28.9 -26.7 7.0 7 7 A L E +ab 33 103A 8 95,-2.7 97,-2.6 -2,-0.6 27,-0.2 -0.859 64.2 23.0-100.1 108.9 31.9 -29.0 7.2 8 8 A G - 0 0 8 25,-3.6 2,-0.6 -2,-0.8 26,-0.2 0.358 62.7-137.7 107.6 124.0 34.8 -27.5 9.1 9 9 A A + 0 0 8 4,-0.2 2,-0.1 27,-0.1 -1,-0.1 -0.597 62.4 109.4-110.5 67.1 34.8 -24.7 11.7 10 10 A G S > S- 0 0 28 -2,-0.6 4,-2.2 94,-0.3 31,-0.1 -0.168 88.0 -46.3-117.5-149.5 37.8 -22.6 10.6 11 11 A T T 4 S+ 0 0 40 1,-0.2 290,-0.1 2,-0.2 5,-0.1 0.884 140.6 23.6 -57.5 -44.5 38.4 -19.2 9.0 12 12 A G T > S+ 0 0 8 92,-0.2 4,-2.0 2,-0.1 -1,-0.2 0.873 122.5 54.5 -84.9 -41.7 35.8 -19.7 6.4 13 13 A G H > S+ 0 0 0 91,-0.4 4,-2.1 2,-0.2 -4,-0.2 0.866 103.7 51.9 -66.4 -41.1 33.6 -22.4 8.0 14 14 A M H X S+ 0 0 0 -4,-2.2 4,-1.6 2,-0.2 3,-0.2 0.965 114.8 40.6 -62.4 -54.1 32.8 -20.6 11.3 15 15 A P H > S+ 0 0 0 0, 0.0 4,-3.1 0, 0.0 5,-0.3 0.885 111.8 60.5 -60.1 -34.6 31.6 -17.4 9.7 16 16 A A H X S+ 0 0 0 -4,-2.0 4,-3.0 1,-0.2 -2,-0.2 0.899 102.0 51.5 -59.1 -42.0 29.8 -19.5 7.1 17 17 A A H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.960 114.3 42.0 -60.6 -51.6 27.7 -21.2 9.8 18 18 A Y H X S+ 0 0 4 -4,-1.6 4,-2.8 2,-0.2 5,-0.2 0.929 116.6 47.8 -58.8 -48.8 26.6 -17.9 11.3 19 19 A E H X S+ 0 0 14 -4,-3.1 4,-1.8 1,-0.2 -1,-0.2 0.912 112.4 50.8 -64.3 -39.0 26.0 -16.3 7.9 20 20 A M H X S+ 0 0 0 -4,-3.0 4,-2.3 -5,-0.3 5,-0.3 0.965 113.0 43.3 -60.1 -54.7 24.1 -19.4 6.8 21 21 A K H X S+ 0 0 34 -4,-2.8 4,-3.2 1,-0.2 -2,-0.2 0.923 113.4 52.8 -59.5 -44.4 21.8 -19.5 9.8 22 22 A E H < S+ 0 0 113 -4,-2.8 -1,-0.2 384,-0.3 -2,-0.2 0.839 113.7 43.2 -57.8 -37.1 21.3 -15.7 9.7 23 23 A A H < S+ 0 0 25 -4,-1.8 -1,-0.2 -3,-0.3 -2,-0.2 0.815 120.9 38.4 -82.0 -33.4 20.3 -15.9 6.0 24 24 A L H < S- 0 0 22 -4,-2.3 3,-0.5 -5,-0.2 -2,-0.2 0.835 92.2-167.4 -88.3 -37.1 18.0 -18.9 6.2 25 25 A G >< - 0 0 30 -4,-3.2 3,-1.1 -5,-0.3 -1,-0.1 -0.341 47.2 -32.4 79.7-161.8 16.4 -18.3 9.5 26 26 A S T 3 S+ 0 0 123 1,-0.2 -1,-0.2 -4,-0.1 -4,-0.0 0.639 122.5 69.4 -75.6 -17.7 14.3 -20.6 11.7 27 27 A G T 3 S+ 0 0 48 -3,-0.5 2,-0.4 2,-0.0 -1,-0.2 0.465 97.2 59.3 -81.6 0.2 12.7 -22.6 8.9 28 28 A H S < S- 0 0 40 -3,-1.1 2,-0.5 -7,-0.1 -25,-0.2 -0.983 79.1-126.8-132.6 142.4 15.9 -24.3 8.0 29 29 A E E -a 3 0A 83 -27,-1.1 -25,-2.6 -2,-0.4 2,-0.5 -0.740 21.3-168.0 -89.2 125.4 18.4 -26.5 10.0 30 30 A V E -a 4 0A 0 -2,-0.5 42,-2.6 40,-0.5 2,-0.4 -0.972 6.3-175.4-113.6 123.4 22.0 -25.4 10.0 31 31 A T E -ac 5 72A 5 -27,-2.4 -25,-2.9 -2,-0.5 2,-0.5 -0.975 11.7-157.1-122.0 127.9 24.6 -27.8 11.3 32 32 A L E -ac 6 73A 0 40,-3.8 42,-2.6 -2,-0.4 2,-0.5 -0.923 12.2-171.8-103.8 123.8 28.3 -27.1 11.8 33 33 A I E +ac 7 74A 0 -27,-2.9 -25,-3.6 -2,-0.5 2,-0.3 -0.966 12.3 162.1-118.2 127.6 30.5 -30.2 11.8 34 34 A S - 0 0 16 40,-2.2 42,-0.5 -2,-0.5 71,-0.0 -0.998 45.4-125.6-148.2 151.6 34.2 -30.0 12.7 35 35 A A S S+ 0 0 57 -2,-0.3 2,-0.3 40,-0.2 42,-0.3 0.708 97.2 47.1 -65.8 -22.9 37.1 -32.2 13.8 36 36 A N S S- 0 0 68 40,-0.2 40,-0.2 2,-0.1 -27,-0.1 -0.892 73.8-137.5-121.4 155.3 37.9 -30.1 16.9 37 37 A D S S+ 0 0 98 -2,-0.3 25,-2.7 38,-0.2 26,-0.5 0.370 85.5 63.1 -89.7 3.7 35.5 -28.7 19.5 38 38 A Y E S-F 61 0B 35 23,-0.3 2,-0.3 24,-0.1 -2,-0.1 -0.927 74.5-130.2-130.4 151.8 37.4 -25.3 19.5 39 39 A F E -F 60 0B 1 21,-2.7 21,-1.9 -2,-0.3 2,-0.4 -0.744 23.4-164.1 -91.9 146.5 38.0 -22.5 17.0 40 40 A Q E -F 59 0B 25 -2,-0.3 2,-1.1 19,-0.2 19,-0.2 -0.995 23.0-128.0-133.0 143.2 41.6 -21.3 16.6 41 41 A F > - 0 0 4 17,-2.4 3,-2.1 -2,-0.4 4,-0.2 -0.754 25.0-162.5 -91.4 95.3 42.8 -18.1 14.9 42 42 A V G > S+ 0 0 66 -2,-1.1 3,-2.6 1,-0.3 -1,-0.2 0.802 79.7 63.7 -54.0 -42.2 45.3 -19.5 12.5 43 43 A P G 3 S+ 0 0 45 0, 0.0 4,-0.3 0, 0.0 -1,-0.3 0.691 99.2 58.6 -60.1 -14.2 47.3 -16.3 11.7 44 44 A S G <> S+ 0 0 3 -3,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.509 80.4 91.6 -88.8 -4.0 48.3 -16.2 15.4 45 45 A N H <> S+ 0 0 0 -3,-2.6 4,-2.3 -4,-0.2 -1,-0.2 0.891 78.0 56.4 -62.3 -42.1 50.0 -19.6 15.2 46 46 A P H > S+ 0 0 5 0, 0.0 4,-0.6 0, 0.0 -1,-0.2 0.928 108.5 49.2 -55.4 -43.6 53.5 -18.4 14.3 47 47 A W H >>>S+ 0 0 36 -4,-0.3 5,-2.6 1,-0.2 3,-1.0 0.875 108.5 52.0 -63.0 -38.0 53.5 -16.2 17.4 48 48 A V H ><5S+ 0 0 6 -4,-1.8 3,-1.4 1,-0.2 -1,-0.2 0.913 103.4 61.6 -58.7 -39.2 52.4 -19.2 19.5 49 49 A G H 3<5S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.656 110.9 37.1 -64.7 -17.4 55.3 -21.0 17.9 50 50 A V H <<5S- 0 0 0 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.335 117.9-108.0-115.8 3.9 57.7 -18.6 19.5 51 51 A G T <<5S+ 0 0 31 -3,-1.4 -3,-0.2 -4,-0.5 -2,-0.1 0.672 87.5 118.3 79.8 18.9 55.9 -18.2 22.8 52 52 A W S > - 0 0 127 -2,-0.3 3,-1.9 1,-0.1 4,-0.9 -0.842 27.4-116.4-113.1 154.3 49.2 -18.6 24.3 55 55 A R H >> S+ 0 0 57 -2,-0.3 3,-1.4 1,-0.3 4,-1.3 0.911 117.1 60.8 -48.8 -44.9 46.6 -21.1 23.1 56 56 A D H 34 S+ 0 0 138 1,-0.3 -1,-0.3 2,-0.2 -3,-0.0 0.682 100.7 53.6 -59.6 -21.6 44.2 -19.4 25.5 57 57 A D H <4 S+ 0 0 92 -3,-1.9 -1,-0.3 1,-0.1 -2,-0.2 0.723 121.0 27.9 -82.3 -22.9 44.7 -16.1 23.6 58 58 A I H << S+ 0 0 0 -3,-1.4 -17,-2.4 -4,-0.9 2,-0.3 0.341 112.7 57.8-127.5 5.7 43.8 -17.5 20.2 59 59 A A E < +F 40 0B 16 -4,-1.3 -19,-0.2 -19,-0.2 -1,-0.0 -0.975 50.5 168.2-141.3 152.5 41.4 -20.4 20.7 60 60 A F E -F 39 0B 13 -21,-1.9 -21,-2.7 -2,-0.3 2,-0.1 -0.991 41.9 -82.8-162.2 155.5 38.0 -21.1 22.3 61 61 A P E -F 38 0B 87 0, 0.0 4,-0.3 0, 0.0 -23,-0.3 -0.360 32.9-158.3 -64.3 137.6 35.2 -23.6 22.6 62 62 A I >> + 0 0 0 -25,-2.7 4,-1.6 2,-0.1 3,-0.8 0.892 69.1 78.7 -84.0 -41.6 32.7 -23.5 19.8 63 63 A R H 3> S+ 0 0 100 -26,-0.5 4,-2.9 1,-0.3 3,-0.3 0.795 93.0 44.2 -43.5 -60.9 29.5 -25.1 21.1 64 64 A H H 3> S+ 0 0 125 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.865 112.5 52.5 -57.3 -40.1 28.0 -22.3 23.2 65 65 A Y H <4 S+ 0 0 59 -3,-0.8 -1,-0.2 -4,-0.3 -2,-0.2 0.864 117.9 34.4 -69.4 -36.5 28.6 -19.5 20.7 66 66 A V H ><>S+ 0 0 0 -4,-1.6 5,-2.3 -3,-0.3 3,-1.3 0.864 115.6 55.1 -85.3 -37.0 27.0 -21.3 17.7 67 67 A E H ><5S+ 0 0 95 -4,-2.9 3,-2.0 -5,-0.3 -2,-0.2 0.861 101.4 58.0 -64.0 -35.5 24.2 -23.1 19.7 68 68 A R T 3<5S+ 0 0 143 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.1 0.600 104.9 54.6 -70.4 -8.0 23.0 -19.8 21.1 69 69 A K T < 5S- 0 0 86 -3,-1.3 -1,-0.3 2,-0.2 -2,-0.2 0.295 126.0-103.4-104.4 7.0 22.5 -18.8 17.5 70 70 A G T < 5S+ 0 0 38 -3,-2.0 -40,-0.5 1,-0.3 2,-0.4 0.617 79.0 135.8 79.0 13.0 20.4 -21.9 16.7 71 71 A I < - 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