==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 29-APR-09 3H8L . COMPND 2 MOLECULE: NADH OXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ACIDIANUS AMBIVALENS; . AUTHOR J.A.BRITO,F.L.SOUSA,M.STELTER,T.M.BANDEIRAS,C.VONRHEIN, . 712 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30432.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 491 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 96 13.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 70 9.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 . 77 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 147 20.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 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 6 0 0 0 0 0 0 2 0 0 4 1 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 2 4 4 4 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 PARALLEL BRIDGES PER LADDER . 5 2 4 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 4 2 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 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 T 0 0 79 0, 0.0 27,-3.4 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 128.1 -102.6 -31.4 -30.3 2 3 A K E -a 28 0A 58 25,-0.2 100,-2.5 27,-0.0 101,-1.8 -0.950 360.0-172.5-111.5 121.4 -105.3 -28.8 -29.5 3 4 A V E -ab 29 103A 0 25,-3.4 27,-2.7 -2,-0.5 2,-0.5 -0.958 6.6-160.0-115.4 117.3 -104.2 -25.4 -28.3 4 5 A L E -ab 30 104A 0 99,-2.5 101,-2.7 -2,-0.5 2,-0.5 -0.832 3.0-163.5 -96.7 132.7 -106.9 -22.9 -27.1 5 6 A V E -ab 31 105A 0 25,-2.9 27,-2.5 -2,-0.5 2,-0.5 -0.982 10.3-150.0-117.6 118.8 -105.9 -19.2 -27.1 6 7 A L E +ab 32 106A 0 99,-3.0 101,-1.9 -2,-0.5 27,-0.2 -0.827 55.8 16.4 -97.6 125.6 -108.2 -17.0 -25.0 7 8 A G - 0 0 3 25,-2.8 101,-0.2 -2,-0.5 25,-0.1 -0.358 67.5-114.9 107.1 171.7 -108.7 -13.4 -25.9 8 9 A G S S+ 0 0 3 99,-0.2 -1,-0.1 -2,-0.1 2,-0.1 0.072 73.4 63.0-141.1 35.8 -108.2 -11.3 -29.0 9 10 A R S >>S- 0 0 107 98,-0.4 4,-2.2 29,-0.0 5,-0.6 -0.178 100.0 -28.3-130.5-139.3 -105.6 -8.5 -28.6 10 11 A F H >5S+ 0 0 82 1,-0.2 4,-1.3 2,-0.2 5,-0.2 0.908 133.6 33.8 -49.6 -56.6 -101.9 -8.0 -28.0 11 12 A G H >5S+ 0 0 8 96,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.922 124.2 42.4 -68.1 -46.2 -101.2 -11.1 -25.9 12 13 A A H >5S+ 0 0 0 95,-0.5 4,-3.0 2,-0.2 5,-0.2 0.960 116.1 44.5 -67.2 -56.8 -103.6 -13.5 -27.6 13 14 A L H X5S+ 0 0 17 -4,-2.2 4,-2.1 1,-0.2 5,-0.4 0.905 113.1 52.4 -58.2 -40.7 -103.0 -12.6 -31.3 14 15 A T H X< S- 0 0 9 -4,-2.5 3,-2.7 1,-0.2 -3,-0.2 0.549 80.1-179.4-107.2 -13.2 -95.7 -25.4 -35.7 24 25 A G G >< S+ 0 0 32 -4,-2.2 3,-0.6 -5,-0.4 -1,-0.2 -0.250 75.2 0.6 51.9-114.6 -98.1 -25.2 -38.7 25 26 A S G 3 S+ 0 0 118 1,-0.2 -1,-0.3 -2,-0.1 -5,-0.0 0.546 108.8 92.7 -83.0 -8.6 -100.1 -28.5 -38.8 26 27 A K G < S+ 0 0 110 -3,-2.7 2,-0.3 -6,-0.1 -1,-0.2 0.492 99.5 16.9 -63.7 -1.4 -98.4 -30.0 -35.8 27 28 A A S < S- 0 0 2 -3,-0.6 2,-0.6 -4,-0.1 -25,-0.2 -0.970 73.6-118.1-167.2 151.7 -101.3 -28.5 -33.7 28 29 A D E -a 2 0A 91 -27,-3.4 -25,-3.4 -2,-0.3 2,-0.6 -0.879 29.6-162.2 -97.9 118.1 -104.8 -27.1 -34.0 29 30 A V E +a 3 0A 0 -2,-0.6 42,-2.4 40,-0.5 2,-0.4 -0.911 12.1 177.5-105.0 118.7 -104.8 -23.5 -32.8 30 31 A K E -ac 4 71A 26 -27,-2.7 -25,-2.9 -2,-0.6 2,-0.4 -0.985 15.3-150.4-124.2 137.7 -108.3 -22.1 -31.9 31 32 A V E -ac 5 72A 0 40,-2.4 42,-3.1 -2,-0.4 2,-0.5 -0.884 5.3-165.4-109.0 134.6 -109.0 -18.7 -30.5 32 33 A I E +ac 6 73A 1 -27,-2.5 -25,-2.8 -2,-0.4 2,-0.4 -0.979 17.7 168.7-120.7 117.1 -112.0 -17.9 -28.2 33 34 A N E - c 0 74A 18 40,-1.4 42,-2.3 -2,-0.5 43,-0.1 -0.974 42.8-126.9-130.0 144.9 -112.8 -14.2 -27.8 34 35 A K S S+ 0 0 152 -2,-0.4 2,-0.3 40,-0.2 42,-0.2 0.623 95.6 35.4 -65.8 -10.3 -115.8 -12.5 -26.2 35 36 A S S S- 0 0 43 40,-0.2 40,-0.1 1,-0.1 26,-0.1 -0.958 72.2-130.9-141.9 160.5 -116.3 -10.5 -29.4 36 37 A R S S+ 0 0 94 -2,-0.3 25,-2.4 38,-0.1 26,-0.5 0.819 91.3 52.9 -77.8 -32.8 -115.9 -10.9 -33.2 37 38 A F E -F 60 0B 58 23,-0.2 2,-0.4 24,-0.1 23,-0.2 -0.839 61.4-161.2-110.8 147.0 -113.9 -7.7 -33.7 38 39 A S E -F 59 0B 5 21,-2.2 21,-2.9 -2,-0.3 2,-0.4 -0.981 14.8-154.4-122.5 128.7 -110.7 -6.4 -32.1 39 40 A Y E -F 58 0B 73 -2,-0.4 2,-0.4 19,-0.2 19,-0.2 -0.858 8.3-167.3-109.0 143.6 -110.0 -2.6 -32.3 40 41 A F E +F 57 0B 35 17,-2.2 17,-2.3 -2,-0.4 3,-0.0 -0.912 19.8 156.8-132.3 104.5 -106.6 -1.0 -32.2 41 42 A R - 0 0 86 -2,-0.4 2,-0.3 15,-0.2 15,-0.1 -0.359 51.3 -70.0-108.4-169.3 -106.4 2.8 -31.7 42 43 A P - 0 0 71 0, 0.0 -1,-0.1 0, 0.0 13,-0.1 -0.702 42.1-121.4 -88.9 142.8 -103.7 5.1 -30.4 43 44 A A S S+ 0 0 95 -2,-0.3 -2,-0.0 1,-0.1 0, 0.0 0.920 97.0 28.7 -44.2 -58.3 -103.0 4.9 -26.6 44 45 A L S S- 0 0 28 1,-0.1 -1,-0.1 -3,-0.0 84,-0.0 -0.879 90.4-112.3-113.2 141.7 -103.8 8.6 -26.0 45 46 A P - 0 0 52 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.120 24.9-113.1 -58.1 173.4 -106.1 10.9 -28.1 46 47 A H - 0 0 126 7,-0.1 2,-1.9 2,-0.1 7,-0.4 -0.744 29.7-173.5-117.1 80.9 -105.1 13.8 -30.3 47 48 A V + 0 0 36 -2,-0.6 2,-0.3 5,-0.1 5,-0.1 -0.529 27.1 151.1 -78.5 79.4 -106.5 16.9 -28.6 48 49 A A - 0 0 51 -2,-1.9 2,-0.8 3,-0.5 3,-0.3 -0.742 53.3 -98.5-109.8 158.5 -105.7 19.4 -31.4 49 50 A I S S- 0 0 88 -2,-0.3 -2,-0.0 1,-0.2 3,-0.0 -0.686 100.9 -19.6 -82.9 110.6 -107.4 22.7 -32.3 50 51 A G S S+ 0 0 86 -2,-0.8 2,-0.5 1,-0.1 -1,-0.2 0.512 117.3 102.2 71.8 6.9 -109.7 22.1 -35.2 51 52 A V - 0 0 95 -3,-0.3 2,-0.7 -5,-0.1 -3,-0.5 -0.859 46.2-177.6-128.3 101.0 -107.8 18.9 -36.2 52 53 A R - 0 0 148 -2,-0.5 2,-1.0 -5,-0.1 -5,-0.1 -0.843 11.0-160.3 -98.7 111.6 -109.3 15.5 -35.3 53 54 A D - 0 0 95 -2,-0.7 2,-0.2 -7,-0.4 -7,-0.1 -0.707 6.2-166.5 -97.4 91.6 -107.0 12.7 -36.4 54 55 A V + 0 0 91 -2,-1.0 2,-0.1 -13,-0.0 -13,-0.0 -0.474 18.2 158.5 -74.5 138.5 -109.0 9.4 -36.6 55 56 A D + 0 0 106 -2,-0.2 2,-0.4 -13,-0.1 -2,-0.0 -0.550 6.8 149.1-166.5 92.7 -106.8 6.2 -36.9 56 57 A E - 0 0 79 -15,-0.1 2,-0.6 -2,-0.1 -15,-0.2 -0.986 34.1-145.2-136.2 144.2 -108.1 2.8 -36.0 57 58 A L E -F 40 0B 107 -17,-2.3 -17,-2.2 -2,-0.4 2,-0.6 -0.902 17.5-163.5-103.2 120.8 -107.4 -0.8 -37.0 58 59 A K E -F 39 0B 110 -2,-0.6 2,-0.5 -19,-0.2 -19,-0.2 -0.907 5.3-165.2-112.5 107.6 -110.5 -3.0 -37.0 59 60 A V E -F 38 0B 27 -21,-2.9 -21,-2.2 -2,-0.6 2,-0.9 -0.786 13.1-152.5 -95.8 127.7 -109.8 -6.8 -37.1 60 61 A D E >> -F 37 0B 22 -2,-0.5 4,-3.5 -23,-0.2 3,-1.2 -0.854 10.2-165.0 -97.2 98.8 -112.5 -9.3 -37.8 61 62 A L H 3> S+ 0 0 0 -25,-2.4 4,-1.8 -2,-0.9 -1,-0.2 0.816 83.2 61.7 -56.1 -34.1 -111.2 -12.3 -36.0 62 63 A S H 34 S+ 0 0 41 -26,-0.5 -1,-0.3 1,-0.2 10,-0.1 0.792 120.2 24.4 -64.7 -28.8 -113.6 -14.7 -37.8 63 64 A E H <> S+ 0 0 124 -3,-1.2 4,-1.4 2,-0.1 -2,-0.2 0.792 121.5 53.0-103.3 -41.4 -112.0 -13.8 -41.1 64 65 A A H < S+ 0 0 31 -4,-3.5 -3,-0.2 2,-0.2 -2,-0.2 0.851 111.7 46.0 -63.7 -37.7 -108.6 -12.7 -40.2 65 66 A L T ><>S+ 0 0 0 -4,-1.8 3,-3.0 -5,-0.3 5,-1.7 0.962 108.6 49.3 -74.9 -55.3 -107.7 -15.8 -38.2 66 67 A P G >45S+ 0 0 64 0, 0.0 3,-3.0 0, 0.0 -2,-0.2 0.919 100.8 68.7 -51.4 -39.6 -108.9 -18.7 -40.4 67 68 A E G 3<5S+ 0 0 150 -4,-1.4 -2,-0.2 1,-0.3 -3,-0.1 0.630 105.3 42.3 -53.8 -11.7 -106.9 -16.9 -43.2 68 69 A K G < 5S- 0 0 132 -3,-3.0 -1,-0.3 2,-0.3 3,-0.1 0.287 127.2 -94.4-121.1 10.3 -103.9 -17.9 -41.2 69 70 A G T < 5S+ 0 0 41 -3,-3.0 -40,-0.5 1,-0.3 2,-0.5 0.678 87.6 125.3 84.9 21.4 -104.8 -21.5 -40.2 70 71 A I < - 0 0 1 -5,-1.7 -1,-0.3 -42,-0.1 -2,-0.3 -0.954 53.8-139.0-116.0 125.4 -106.3 -20.5 -36.9 71 72 A Q E -c 30 0A 89 -42,-2.4 -40,-2.4 -2,-0.5 2,-0.4 -0.472 17.9-150.9 -79.4 158.5 -109.9 -21.4 -36.0 72 73 A F E +c 31 0A 39 -42,-0.2 2,-0.4 -10,-0.1 -40,-0.2 -0.993 17.1 178.5-136.2 135.9 -112.1 -18.9 -34.2 73 74 A Q E -c 32 0A 49 -42,-3.1 -40,-1.4 -2,-0.4 2,-0.4 -0.992 21.9-140.0-135.2 125.6 -115.0 -19.2 -31.8 74 75 A E E +c 33 0A 60 -2,-0.4 2,-0.3 -42,-0.2 -40,-0.2 -0.714 47.2 121.6 -84.9 131.5 -116.8 -16.2 -30.3 75 76 A G - 0 0 2 -42,-2.3 2,-0.7 -2,-0.4 16,-0.2 -0.896 59.3-109.1 177.2 153.3 -117.7 -16.7 -26.6 76 77 A T E -G 90 0C 59 14,-2.6 14,-2.4 -2,-0.3 -43,-0.1 -0.860 34.1-131.7-100.5 110.4 -117.2 -15.3 -23.2 77 78 A V E -G 89 0C 14 -2,-0.7 12,-0.3 12,-0.3 195,-0.1 -0.343 23.7-178.7 -58.9 133.8 -115.0 -17.5 -20.9 78 79 A E E - 0 0 85 10,-3.1 2,-0.3 1,-0.5 197,-0.2 0.699 64.0 -25.5-106.1 -29.2 -116.6 -18.0 -17.5 79 80 A K E -G 88 0C 83 9,-1.3 9,-2.6 195,-0.1 -1,-0.5 -0.959 51.5-127.1-174.8 161.9 -113.9 -20.1 -15.9 80 81 A I E -G 87 0C 0 192,-0.5 197,-1.9 -2,-0.3 2,-1.0 -0.990 13.8-151.9-119.6 128.0 -111.0 -22.4 -16.7 81 82 A D E >> -G 86 0C 42 5,-3.2 5,-2.1 -2,-0.4 4,-1.0 -0.860 15.1-178.8-101.1 95.1 -110.8 -25.8 -14.9 82 83 A A T 45S+ 0 0 3 -2,-1.0 -1,-0.2 3,-0.2 218,-0.1 0.782 76.8 60.7 -65.1 -29.5 -107.1 -26.4 -14.9 83 84 A K T 45S+ 0 0 152 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.934 119.2 25.3 -67.0 -43.1 -107.6 -29.8 -13.2 84 85 A S T 45S- 0 0 55 2,-0.1 -1,-0.2 -3,-0.0 -2,-0.2 0.429 106.9-121.7 -98.5 -1.5 -109.6 -31.2 -16.0 85 86 A S T <5 + 0 0 19 -4,-1.0 16,-1.9 1,-0.2 2,-0.4 0.940 62.9 142.1 60.3 50.1 -108.2 -28.9 -18.7 86 87 A M E < -GH 81 100C 32 -5,-2.1 -5,-3.2 14,-0.2 2,-0.5 -0.959 42.4-152.2-123.4 144.6 -111.5 -27.5 -19.7 87 88 A V E -GH 80 99C 0 12,-2.0 12,-1.6 -2,-0.4 2,-0.4 -0.960 13.0-155.8-115.4 121.1 -112.5 -24.0 -20.7 88 89 A Y E +GH 79 98C 65 -9,-2.6 -10,-3.1 -2,-0.5 -9,-1.3 -0.833 23.0 163.6 -97.1 133.7 -116.1 -23.0 -20.0 89 90 A Y E -GH 77 97C 5 8,-2.3 8,-2.9 -2,-0.4 2,-0.5 -0.999 36.3-124.8-151.7 149.6 -117.7 -20.3 -22.1 90 91 A T E -GH 76 96C 28 -14,-2.4 -14,-2.6 -2,-0.3 6,-0.2 -0.795 28.6-139.7 -93.9 130.2 -121.0 -18.7 -23.0 91 92 A K > - 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