==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 15-JAN-10 3LF2 . COMPND 2 MOLECULE: SHORT CHAIN OXIDOREDUCTASE Q9HYA2; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR R.HUETHER,T.C.UMLAND,W.L.DUAX . 1043 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39334.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 782 75.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 160 15.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 67 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 103 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 402 38.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.5 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 0 0 0 1 3 0 0 4 8 0 4 4 0 0 0 0 0 4 0 0 0 0 4 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 0 0 10 10 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 4 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 3 A P 0 0 115 0, 0.0 2,-0.5 0, 0.0 260,-0.1 0.000 360.0 360.0 360.0 -37.3 -36.3 51.6 -36.2 2 4 A Y - 0 0 49 235,-0.0 2,-0.6 236,-0.0 232,-0.0 -0.970 360.0-167.4-117.2 125.3 -38.2 48.8 -38.1 3 5 A D + 0 0 125 -2,-0.5 3,-0.4 1,-0.1 27,-0.1 -0.864 17.9 162.9-117.8 96.9 -40.5 46.5 -36.3 4 6 A L > + 0 0 7 25,-1.9 3,-1.8 -2,-0.6 28,-0.4 0.014 33.8 122.8-103.3 26.6 -41.5 43.5 -38.3 5 7 A S T 3 S+ 0 0 53 24,-0.3 -1,-0.2 1,-0.3 27,-0.1 0.767 77.7 52.4 -62.6 -23.5 -42.8 41.3 -35.4 6 8 A E T 3 S+ 0 0 154 -3,-0.4 -1,-0.3 25,-0.1 2,-0.1 0.657 97.2 94.6 -80.4 -16.9 -46.1 41.1 -37.2 7 9 A A < - 0 0 10 -3,-1.8 25,-2.1 80,-0.1 2,-0.5 -0.433 57.5-157.7 -86.3 148.4 -44.5 40.0 -40.5 8 10 A V E -a 32 0A 10 23,-0.2 79,-3.2 -2,-0.1 80,-2.0 -0.953 25.8-168.0-116.3 107.1 -43.9 36.5 -41.9 9 11 A A E -ab 33 88A 0 23,-3.0 25,-2.5 -2,-0.5 2,-0.5 -0.822 11.2-159.8-106.3 134.3 -41.1 36.9 -44.4 10 12 A V E -ab 34 89A 0 78,-3.4 80,-3.0 -2,-0.4 2,-0.5 -0.926 5.9-171.6-112.8 131.9 -39.9 34.4 -47.0 11 13 A V E > -ab 35 90A 0 23,-2.8 25,-1.4 -2,-0.5 3,-0.6 -0.924 9.3-155.9-126.4 108.0 -36.4 34.5 -48.5 12 14 A T E 3 S+ab 36 91A 1 78,-2.1 80,-1.2 -2,-0.5 81,-0.9 -0.643 86.4 22.6 -79.1 134.8 -35.5 32.2 -51.4 13 15 A G T 3 S+ 0 0 18 23,-1.3 3,-0.4 -2,-0.3 6,-0.3 0.903 82.6 147.5 75.6 43.0 -31.7 31.6 -51.6 14 16 A G < + 0 0 0 22,-1.8 23,-0.1 -3,-0.6 9,-0.1 0.335 38.3 88.2 -97.3 8.0 -31.3 32.5 -47.9 15 17 A S S S- 0 0 6 21,-0.4 2,-0.3 1,-0.1 -1,-0.2 0.550 97.9 -1.2 -88.3 -6.7 -28.4 30.2 -46.9 16 18 A S S >> S+ 0 0 44 -3,-0.4 4,-1.3 30,-0.0 3,-1.0 -0.981 103.4 12.0-165.8 175.5 -25.6 32.7 -47.8 17 19 A G H 3> S- 0 0 42 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 -0.133 122.2 -7.4 52.0-138.8 -24.6 36.0 -49.2 18 20 A I H 3> S+ 0 0 21 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.833 137.4 55.4 -57.2 -37.1 -27.3 38.6 -49.7 19 21 A G H <> S+ 0 0 0 -3,-1.0 4,-2.6 -6,-0.3 -1,-0.2 0.943 111.5 41.8 -64.1 -48.1 -30.0 36.1 -48.9 20 22 A L H X S+ 0 0 35 -4,-1.3 4,-2.9 2,-0.2 -2,-0.2 0.912 113.8 52.8 -62.7 -45.6 -28.5 35.2 -45.5 21 23 A A H X S+ 0 0 6 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.854 111.0 48.7 -57.9 -35.1 -27.7 38.9 -44.8 22 24 A T H X S+ 0 0 0 -4,-1.9 4,-2.2 -5,-0.2 -2,-0.2 0.934 110.2 49.4 -71.9 -45.8 -31.4 39.6 -45.6 23 25 A V H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 5,-0.2 0.886 110.7 51.6 -57.5 -41.3 -32.6 36.8 -43.3 24 26 A E H X S+ 0 0 50 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.960 109.2 49.2 -61.5 -50.6 -30.4 38.1 -40.5 25 27 A L H X S+ 0 0 10 -4,-2.1 4,-1.1 1,-0.2 -1,-0.2 0.868 110.8 52.3 -56.6 -38.4 -31.8 41.6 -40.9 26 28 A L H <>S+ 0 0 0 -4,-2.2 5,-2.2 2,-0.2 -1,-0.2 0.885 108.1 47.8 -67.6 -43.5 -35.3 40.2 -40.8 27 29 A L H ><5S+ 0 0 13 -4,-2.3 3,-2.6 1,-0.2 -2,-0.2 0.931 108.0 57.6 -61.5 -43.0 -34.9 38.2 -37.6 28 30 A E H 3<5S+ 0 0 109 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.816 102.6 53.2 -58.7 -30.3 -33.3 41.3 -36.0 29 31 A A T 3<5S- 0 0 8 -4,-1.1 -25,-1.9 -3,-0.2 -24,-0.3 0.404 123.6-109.8 -85.2 2.6 -36.5 43.2 -36.8 30 32 A G T < 5 + 0 0 32 -3,-2.6 -3,-0.2 1,-0.3 2,-0.2 0.622 66.6 151.1 85.6 15.3 -38.4 40.4 -35.0 31 33 A A < - 0 0 3 -5,-2.2 2,-0.5 -25,-0.1 -1,-0.3 -0.495 53.6-115.6 -77.5 145.9 -40.0 38.9 -38.1 32 34 A A E -a 8 0A 2 -25,-2.1 -23,-3.0 -28,-0.4 2,-0.4 -0.735 46.5-162.9 -73.5 127.2 -40.9 35.2 -38.4 33 35 A V E -ac 9 59A 0 25,-2.3 27,-2.2 -2,-0.5 2,-0.4 -0.931 22.4-173.1-128.0 139.0 -38.6 34.1 -41.2 34 36 A A E +ac 10 60A 0 -25,-2.5 -23,-2.8 -2,-0.4 2,-0.3 -0.991 11.5 179.1-126.1 137.1 -38.4 31.2 -43.6 35 37 A F E -ac 11 61A 0 25,-2.1 27,-1.9 -2,-0.4 2,-0.3 -0.989 6.1-167.5-138.7 151.9 -35.6 30.5 -46.1 36 38 A C E +ac 12 62A 0 -25,-1.4 -22,-1.8 -2,-0.3 -23,-1.3 -0.862 13.1 155.7-130.5 165.2 -34.8 27.8 -48.6 37 39 A A E - c 0 63A 14 25,-0.9 27,-2.0 -2,-0.3 28,-0.1 -0.927 45.8-109.4-175.5 170.6 -31.8 26.7 -50.7 38 40 A R S S+ 0 0 154 -2,-0.3 2,-1.0 25,-0.2 27,-0.1 0.915 94.6 77.0 -82.8 -43.3 -30.6 23.5 -52.4 39 41 A D > - 0 0 84 1,-0.2 4,-2.3 25,-0.1 5,-0.1 -0.564 62.5-165.8 -77.3 101.3 -27.7 22.6 -50.2 40 42 A G H > S+ 0 0 11 -2,-1.0 4,-2.3 1,-0.2 -1,-0.2 0.793 82.9 50.2 -55.5 -36.8 -29.2 21.0 -47.0 41 43 A E H > S+ 0 0 150 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.933 112.5 43.3 -73.9 -48.2 -26.0 21.1 -45.0 42 44 A R H > S+ 0 0 128 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.890 114.7 55.7 -60.7 -36.6 -25.1 24.8 -45.6 43 45 A L H X S+ 0 0 1 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.923 111.4 40.3 -60.1 -50.1 -28.8 25.4 -45.0 44 46 A R H X S+ 0 0 135 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.828 114.1 53.5 -72.3 -32.5 -28.9 23.8 -41.6 45 47 A A H X S+ 0 0 58 -4,-2.6 4,-2.3 2,-0.2 3,-0.2 0.970 111.6 45.1 -62.7 -54.6 -25.5 25.3 -40.6 46 48 A A H X S+ 0 0 12 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.937 111.6 54.7 -50.6 -49.1 -26.8 28.7 -41.4 47 49 A E H X S+ 0 0 38 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.860 107.6 49.1 -54.6 -41.0 -30.0 27.8 -39.6 48 50 A S H X S+ 0 0 77 -4,-2.1 4,-2.0 -3,-0.2 -1,-0.2 0.922 110.0 49.6 -67.4 -47.0 -28.1 26.9 -36.4 49 51 A A H X S+ 0 0 62 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.896 110.1 53.1 -59.2 -40.6 -26.0 30.1 -36.4 50 52 A L H X S+ 0 0 6 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.936 108.5 47.6 -59.5 -49.3 -29.2 32.1 -36.8 51 53 A R H < S+ 0 0 96 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.837 112.8 52.5 -64.5 -31.4 -30.9 30.4 -33.8 52 54 A Q H < S+ 0 0 158 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.985 113.3 40.2 -61.2 -62.6 -27.7 31.1 -31.9 53 55 A R H < S+ 0 0 130 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.767 124.6 40.8 -63.1 -26.1 -27.6 34.8 -32.7 54 56 A F S >< S- 0 0 31 -4,-2.4 3,-2.2 -5,-0.2 -1,-0.3 -0.621 70.5-175.6-126.5 76.3 -31.4 35.2 -32.3 55 57 A P T 3 S+ 0 0 117 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.794 83.6 39.7 -41.9 -54.2 -32.5 33.1 -29.3 56 58 A G T 3 S+ 0 0 77 2,-0.1 -5,-0.1 0, 0.0 -2,-0.0 0.656 86.8 147.6 -71.1 -13.2 -36.3 33.7 -29.6 57 59 A A < - 0 0 22 -3,-2.2 2,-1.0 -7,-0.2 -25,-0.1 0.219 44.7-148.3 -39.1 124.7 -36.3 33.4 -33.4 58 60 A R + 0 0 122 -27,-0.3 -25,-2.3 -31,-0.1 2,-0.4 -0.813 41.7 162.6 -87.9 98.6 -39.3 32.0 -35.2 59 61 A L E -c 33 0A 10 -2,-1.0 2,-0.4 -27,-0.2 -25,-0.2 -0.962 27.3-173.9-132.4 134.9 -37.3 30.4 -38.0 60 62 A F E -c 34 0A 37 -27,-2.2 -25,-2.1 -2,-0.4 2,-0.4 -0.985 6.8-177.4-132.7 121.5 -38.1 27.8 -40.6 61 63 A A E +c 35 0A 15 -2,-0.4 2,-0.3 -27,-0.2 -25,-0.2 -0.963 7.7 170.8-122.4 135.5 -35.5 26.5 -43.1 62 64 A S E -c 36 0A 36 -27,-1.9 -25,-0.9 -2,-0.4 2,-0.2 -1.000 36.7-110.8-147.1 140.6 -36.2 24.0 -45.8 63 65 A V E +c 37 0A 66 -2,-0.3 2,-0.3 -27,-0.2 -25,-0.2 -0.545 51.3 152.4 -69.3 135.5 -34.4 22.5 -48.7 64 66 A C - 0 0 2 -27,-2.0 2,-0.7 -2,-0.2 -51,-0.2 -0.857 40.3-146.0-167.3 129.9 -36.0 23.7 -52.0 65 67 A D > - 0 0 44 -2,-0.3 3,-2.6 1,-0.1 7,-0.3 -0.901 14.9-152.5 -98.6 112.6 -34.9 24.3 -55.6 66 68 A V T 3 S+ 0 0 9 -2,-0.7 56,-0.2 1,-0.3 -1,-0.1 0.688 91.3 70.5 -61.4 -17.0 -36.9 27.3 -56.8 67 69 A L T 3 S+ 0 0 54 1,-0.1 2,-0.8 55,-0.1 -1,-0.3 0.676 86.8 75.7 -70.5 -16.0 -36.6 25.9 -60.4 68 70 A D X> - 0 0 66 -3,-2.6 4,-2.6 1,-0.2 3,-0.6 -0.832 65.7-164.5-104.5 103.4 -38.9 23.1 -59.4 69 71 A A H 3> S+ 0 0 20 -2,-0.8 4,-2.9 1,-0.3 -1,-0.2 0.857 90.7 54.4 -52.0 -42.1 -42.5 24.3 -59.2 70 72 A L H 3> S+ 0 0 116 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.881 109.3 47.2 -62.3 -40.6 -43.6 21.2 -57.3 71 73 A Q H <> S+ 0 0 76 -3,-0.6 4,-2.9 -6,-0.2 -2,-0.2 0.927 111.3 52.1 -66.4 -43.3 -40.9 21.9 -54.6 72 74 A V H X S+ 0 0 2 -4,-2.6 4,-2.7 -7,-0.3 5,-0.2 0.919 107.7 51.0 -60.8 -43.3 -42.0 25.5 -54.5 73 75 A R H X S+ 0 0 139 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.955 113.2 46.0 -56.4 -49.3 -45.6 24.6 -53.9 74 76 A A H X S+ 0 0 63 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.882 112.9 50.2 -61.8 -38.7 -44.6 22.2 -51.1 75 77 A F H X S+ 0 0 6 -4,-2.9 4,-2.1 2,-0.2 -1,-0.2 0.907 110.2 50.0 -65.7 -40.6 -42.2 24.9 -49.6 76 78 A A H X S+ 0 0 4 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.931 113.0 46.0 -64.9 -44.8 -45.0 27.5 -49.6 77 79 A E H X S+ 0 0 136 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.885 111.9 50.1 -66.1 -40.9 -47.4 25.2 -47.9 78 80 A A H X S+ 0 0 33 -4,-2.3 4,-1.6 -5,-0.2 -1,-0.2 0.856 109.9 53.1 -66.6 -33.1 -44.9 24.1 -45.3 79 81 A C H X>S+ 0 0 1 -4,-2.1 4,-2.9 2,-0.2 5,-0.8 0.941 110.1 46.4 -63.3 -47.8 -44.1 27.8 -44.6 80 82 A E H X5S+ 0 0 86 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.922 112.6 50.2 -60.7 -45.1 -47.8 28.6 -44.1 81 83 A R H <5S+ 0 0 214 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.826 119.0 37.8 -61.9 -33.2 -48.3 25.5 -41.8 82 84 A T H <5S+ 0 0 75 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.832 137.3 8.2 -91.8 -37.6 -45.2 26.5 -39.7 83 85 A L H <5S- 0 0 35 -4,-2.9 -3,-0.2 1,-0.3 -2,-0.2 0.502 103.2-109.8-122.7 -11.3 -45.3 30.3 -39.5 84 86 A G << - 0 0 28 -4,-1.5 -1,-0.3 -5,-0.8 -2,-0.1 -0.407 65.6 -19.6 98.5 175.7 -48.7 31.4 -41.0 85 87 A C S S- 0 0 33 -2,-0.1 -77,-0.1 1,-0.1 2,-0.1 -0.324 75.0-114.3 -59.7 132.2 -49.4 33.2 -44.2 86 88 A A + 0 0 1 1,-0.1 47,-0.3 -10,-0.1 48,-0.2 -0.366 30.7 179.7 -68.1 144.0 -46.4 35.0 -45.6 87 89 A S S S+ 0 0 3 -79,-3.2 51,-2.2 1,-0.3 2,-0.4 0.497 70.8 46.5-117.5 -14.8 -46.5 38.8 -45.8 88 90 A I E -bd 9 138A 2 -80,-2.0 -78,-3.4 49,-0.2 2,-0.4 -0.997 59.1-175.1-134.6 133.4 -43.0 39.3 -47.3 89 91 A L E -bd 10 139A 0 49,-2.2 51,-3.1 -2,-0.4 2,-0.6 -0.988 1.3-174.2-129.8 121.8 -41.3 37.6 -50.2 90 92 A V E -bd 11 140A 0 -80,-3.0 -78,-2.1 -2,-0.4 2,-0.9 -0.963 10.2-158.7-114.7 113.4 -37.7 38.2 -51.2 91 93 A N E +bd 12 141A 4 49,-2.7 51,-2.8 -2,-0.6 -78,-0.1 -0.820 34.4 144.1 -92.7 106.9 -36.6 36.4 -54.4 92 94 A N + 0 0 30 -80,-1.2 -79,-0.2 -2,-0.9 -1,-0.2 0.783 24.3 115.4-114.1 -42.2 -32.8 36.3 -54.1 93 95 A A + 0 0 27 -81,-0.9 2,-0.2 26,-0.1 -80,-0.1 0.043 42.6 114.2 -34.3 134.7 -31.7 32.9 -55.6 94 96 A G - 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