==== 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 3H8I . 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) . 30496.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 500 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 98 13.8 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 . 2 0.3 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 . 80 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 9.7 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 1 1 0 0 4 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 0 6 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 77 0, 0.0 27,-3.5 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 127.3 -102.3 -31.4 -30.1 2 3 A K E -a 28 0A 56 25,-0.2 100,-2.8 27,-0.0 101,-1.6 -0.955 360.0-172.3-111.6 120.7 -105.0 -28.8 -29.4 3 4 A V E -ab 29 103A 0 25,-3.3 27,-2.5 -2,-0.5 2,-0.4 -0.969 7.3-157.9-114.2 119.1 -103.8 -25.4 -28.1 4 5 A L E -ab 30 104A 0 99,-2.6 101,-2.8 -2,-0.5 2,-0.5 -0.818 2.1-161.7 -97.0 135.5 -106.4 -22.9 -27.0 5 6 A V E -ab 31 105A 0 25,-2.8 27,-2.5 -2,-0.4 2,-0.5 -0.973 9.2-150.6-119.2 115.9 -105.5 -19.2 -26.9 6 7 A L E +ab 32 106A 0 99,-2.9 101,-1.6 -2,-0.5 27,-0.2 -0.766 56.7 17.8 -92.2 125.1 -107.7 -17.0 -24.8 7 8 A G - 0 0 3 25,-2.7 101,-0.2 -2,-0.5 25,-0.1 -0.320 66.2-116.0 107.8 169.2 -108.2 -13.4 -25.8 8 9 A G S S+ 0 0 3 99,-0.2 -1,-0.1 -2,-0.1 2,-0.1 0.087 74.7 62.8-139.6 32.3 -107.7 -11.3 -29.0 9 10 A R S >>S- 0 0 110 98,-0.4 4,-2.2 29,-0.0 5,-0.6 -0.247 100.7 -29.1-130.5-143.4 -105.1 -8.5 -28.5 10 11 A F H >5S+ 0 0 80 1,-0.2 4,-1.4 2,-0.2 5,-0.2 0.868 133.4 33.4 -45.2 -57.5 -101.4 -8.1 -27.8 11 12 A G H >5S+ 0 0 8 96,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.939 123.5 43.8 -67.9 -49.3 -100.7 -11.3 -25.8 12 13 A A H >5S+ 0 0 0 95,-0.5 4,-3.1 2,-0.2 5,-0.2 0.974 117.0 42.8 -60.9 -61.4 -103.2 -13.6 -27.5 13 14 A L H X5S+ 0 0 15 -4,-2.2 4,-2.3 1,-0.2 5,-0.4 0.900 113.7 52.1 -55.7 -42.8 -102.5 -12.6 -31.1 14 15 A T H X< S+ 0 0 9 -4,-2.2 3,-2.8 -3,-0.4 -2,-0.2 0.554 78.2 179.7-114.5 -13.7 -95.4 -25.4 -35.6 24 25 A G G >< S+ 0 0 33 -4,-3.5 3,-0.6 -5,-0.4 -1,-0.2 -0.248 76.8 0.7 50.9-114.4 -97.8 -25.3 -38.5 25 26 A S G 3 S+ 0 0 118 1,-0.2 -1,-0.3 -2,-0.1 -5,-0.0 0.591 110.0 91.1 -81.8 -12.4 -99.6 -28.6 -38.6 26 27 A K G < S+ 0 0 112 -3,-2.8 2,-0.3 -6,-0.1 -1,-0.2 0.495 101.5 16.0 -61.3 -1.1 -97.9 -30.0 -35.6 27 28 A A S < S- 0 0 2 -3,-0.6 2,-0.6 -4,-0.1 -25,-0.2 -0.968 73.5-118.1-167.9 153.2 -100.8 -28.5 -33.6 28 29 A D E -a 2 0A 89 -27,-3.5 -25,-3.3 -2,-0.3 2,-0.6 -0.889 29.9-162.6 -99.8 116.8 -104.3 -27.1 -33.8 29 30 A V E +a 3 0A 1 -2,-0.6 42,-2.5 40,-0.5 2,-0.4 -0.901 12.6 175.8-104.2 120.2 -104.3 -23.5 -32.6 30 31 A K E -ac 4 71A 27 -27,-2.5 -25,-2.8 -2,-0.6 2,-0.4 -0.990 16.0-151.1-127.1 137.8 -107.7 -22.1 -31.8 31 32 A V E -ac 5 72A 0 40,-2.2 42,-3.2 -2,-0.4 2,-0.5 -0.903 4.5-164.9-110.7 133.0 -108.5 -18.7 -30.3 32 33 A I E +ac 6 73A 1 -27,-2.5 -25,-2.7 -2,-0.4 2,-0.4 -0.974 17.8 170.6-117.1 118.0 -111.5 -17.9 -28.1 33 34 A N E - c 0 74A 18 40,-1.3 42,-2.2 -2,-0.5 43,-0.1 -0.970 42.0-126.9-129.1 145.5 -112.3 -14.2 -27.7 34 35 A K S S+ 0 0 147 -2,-0.4 2,-0.3 40,-0.2 42,-0.2 0.631 96.5 34.1 -65.1 -11.1 -115.3 -12.4 -26.1 35 36 A S S S- 0 0 37 40,-0.2 40,-0.1 1,-0.1 26,-0.1 -0.975 72.8-130.7-143.1 157.6 -115.8 -10.5 -29.3 36 37 A R S S+ 0 0 92 -2,-0.3 25,-2.5 38,-0.1 26,-0.5 0.812 91.9 53.7 -74.2 -32.6 -115.4 -11.0 -33.1 37 38 A F E -F 60 0B 61 23,-0.2 2,-0.4 24,-0.1 23,-0.2 -0.839 61.5-161.9-110.1 146.6 -113.4 -7.8 -33.6 38 39 A S E -F 59 0B 5 21,-2.0 21,-2.9 -2,-0.3 2,-0.4 -0.991 14.1-156.0-123.5 124.5 -110.2 -6.4 -31.9 39 40 A Y E -F 58 0B 69 -2,-0.4 2,-0.5 19,-0.2 19,-0.2 -0.857 8.9-168.4-105.8 138.8 -109.5 -2.7 -32.2 40 41 A F E +F 57 0B 37 17,-2.6 17,-1.8 -2,-0.4 3,-0.1 -0.866 21.3 156.5-126.9 97.4 -106.1 -1.1 -31.9 41 42 A R - 0 0 84 -2,-0.5 2,-0.4 15,-0.2 15,-0.1 0.112 51.1 -65.0 -92.7-150.0 -106.1 2.7 -31.6 42 43 A P - 0 0 69 0, 0.0 -1,-0.1 0, 0.0 13,-0.0 -0.873 38.8-121.5-107.6 142.5 -103.4 5.0 -30.1 43 44 A A S S+ 0 0 97 -2,-0.4 -2,-0.1 1,-0.1 0, 0.0 0.898 98.3 19.0 -43.0 -56.2 -102.5 4.9 -26.4 44 45 A L S S- 0 0 29 1,-0.1 -1,-0.1 -3,-0.1 84,-0.0 -0.925 88.2-115.1-120.9 144.3 -103.3 8.5 -25.9 45 46 A P - 0 0 49 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.024 24.7-114.9 -66.5 175.2 -105.5 10.8 -28.1 46 47 A H - 0 0 139 7,-0.1 2,-1.3 2,-0.1 7,-0.4 -0.695 24.7-163.8-118.4 78.3 -104.2 13.8 -30.0 47 48 A V + 0 0 30 -2,-0.5 2,-0.3 5,-0.1 5,-0.1 -0.452 28.2 162.8 -63.9 92.7 -106.0 16.9 -28.5 48 49 A A > - 0 0 43 -2,-1.3 3,-0.9 3,-0.4 2,-0.7 -0.907 48.1-102.8-119.2 147.1 -105.3 19.3 -31.3 49 50 A I T 3 S- 0 0 91 -2,-0.3 3,-0.0 1,-0.3 -2,-0.0 -0.562 102.7 -22.0 -70.1 109.0 -106.8 22.7 -32.1 50 51 A G T 3 S+ 0 0 83 -2,-0.7 2,-0.4 1,-0.1 -1,-0.3 0.646 117.2 105.2 64.0 20.1 -109.2 21.9 -35.0 51 52 A V < - 0 0 93 -3,-0.9 2,-0.9 -5,-0.1 -3,-0.4 -0.828 43.9-178.8-135.2 97.4 -107.3 18.8 -36.0 52 53 A R - 0 0 143 -2,-0.4 2,-1.1 -5,-0.1 -5,-0.1 -0.788 11.2-162.0 -99.0 97.4 -108.8 15.4 -35.1 53 54 A D - 0 0 110 -2,-0.9 2,-0.3 -7,-0.4 -7,-0.1 -0.638 5.6-167.3 -84.1 99.1 -106.5 12.5 -36.2 54 55 A V + 0 0 87 -2,-1.1 -2,-0.0 1,-0.1 -13,-0.0 -0.608 18.8 157.6 -83.6 137.0 -108.4 9.2 -36.4 55 56 A D + 0 0 112 -2,-0.3 2,-0.4 -13,-0.0 -1,-0.1 -0.316 9.3 154.6-161.1 70.2 -106.2 6.1 -36.7 56 57 A E - 0 0 73 -15,-0.1 2,-0.5 -17,-0.0 -15,-0.2 -0.852 29.8-150.1-107.9 138.0 -107.8 2.9 -35.6 57 58 A L E -F 40 0B 103 -17,-1.8 -17,-2.6 -2,-0.4 2,-0.6 -0.911 14.4-162.9-102.5 120.5 -107.0 -0.7 -36.8 58 59 A K E -F 39 0B 108 -2,-0.5 2,-0.4 -19,-0.2 -19,-0.2 -0.916 3.2-165.7-112.1 114.5 -110.0 -3.0 -36.8 59 60 A V E -F 38 0B 27 -21,-2.9 -21,-2.0 -2,-0.6 2,-0.8 -0.810 13.5-151.6-100.4 134.7 -109.3 -6.8 -36.9 60 61 A D E >> -F 37 0B 21 -2,-0.4 4,-3.4 -23,-0.2 3,-1.0 -0.904 10.2-164.8-103.3 100.3 -112.0 -9.4 -37.7 61 62 A L H 3> S+ 0 0 0 -25,-2.5 4,-1.7 -2,-0.8 -1,-0.2 0.813 83.5 62.8 -57.1 -32.8 -110.7 -12.4 -35.8 62 63 A S H 34 S+ 0 0 40 -26,-0.5 -1,-0.2 1,-0.2 10,-0.1 0.826 119.4 24.1 -63.4 -33.0 -113.1 -14.8 -37.7 63 64 A E H <> S+ 0 0 126 -3,-1.0 4,-1.5 2,-0.1 -2,-0.2 0.812 122.2 52.2 -99.3 -42.8 -111.4 -13.9 -41.0 64 65 A A H < S+ 0 0 31 -4,-3.4 -3,-0.2 1,-0.2 -2,-0.2 0.876 111.1 46.9 -63.1 -40.8 -108.0 -12.8 -40.0 65 66 A L T ><>S+ 0 0 0 -4,-1.7 3,-2.6 -5,-0.3 5,-1.8 0.954 109.2 48.3 -71.2 -55.1 -107.2 -15.9 -38.0 66 67 A P G >45S+ 0 0 64 0, 0.0 3,-4.4 0, 0.0 -1,-0.2 0.947 100.6 69.2 -51.4 -44.5 -108.2 -18.7 -40.2 67 68 A E G 3<5S+ 0 0 154 -4,-1.5 -2,-0.2 1,-0.3 -3,-0.1 0.620 105.3 42.5 -48.3 -12.4 -106.3 -17.0 -43.0 68 69 A K G < 5S- 0 0 135 -3,-2.6 -1,-0.3 2,-0.3 3,-0.1 0.281 127.8 -96.6-120.6 10.1 -103.3 -18.0 -40.9 69 70 A G T < 5S+ 0 0 40 -3,-4.4 -40,-0.5 1,-0.3 2,-0.5 0.695 86.6 126.4 82.1 23.4 -104.4 -21.5 -40.1 70 71 A I < - 0 0 0 -5,-1.8 -1,-0.3 -6,-0.1 -2,-0.3 -0.956 53.9-137.9-115.6 124.9 -105.7 -20.5 -36.7 71 72 A Q E -c 30 0A 88 -42,-2.5 -40,-2.2 -2,-0.5 2,-0.4 -0.403 17.6-151.0 -76.8 160.9 -109.3 -21.4 -35.9 72 73 A F E +c 31 0A 38 -42,-0.2 2,-0.4 -10,-0.1 -40,-0.2 -0.990 16.9 178.6-139.3 133.5 -111.5 -18.9 -34.1 73 74 A Q E -c 32 0A 49 -42,-3.2 -40,-1.3 -2,-0.4 2,-0.5 -0.992 21.9-140.5-133.5 124.4 -114.4 -19.2 -31.7 74 75 A E E +c 33 0A 58 -2,-0.4 2,-0.3 -42,-0.2 -40,-0.2 -0.731 47.4 120.4 -85.7 129.3 -116.2 -16.2 -30.2 75 76 A G - 0 0 2 -42,-2.2 2,-0.7 -2,-0.5 16,-0.2 -0.923 60.2-106.8 179.7 156.9 -117.2 -16.7 -26.5 76 77 A T E -G 90 0C 57 14,-2.7 14,-2.1 -2,-0.3 -43,-0.1 -0.856 33.6-131.1-102.5 107.0 -116.7 -15.3 -23.1 77 78 A V E -G 89 0C 14 -2,-0.7 12,-0.3 12,-0.3 195,-0.1 -0.306 24.8-179.3 -55.1 130.5 -114.5 -17.4 -20.9 78 79 A E E - 0 0 86 10,-3.0 2,-0.3 1,-0.5 11,-0.2 0.679 64.2 -22.4-105.3 -26.6 -116.2 -17.9 -17.5 79 80 A K E -G 88 0C 90 9,-1.4 9,-2.2 195,-0.1 -1,-0.5 -0.948 52.8-128.5-175.0 160.2 -113.5 -20.0 -15.9 80 81 A I E -G 87 0C 1 192,-0.5 197,-2.1 -2,-0.3 2,-1.0 -0.988 12.7-153.7-119.6 127.1 -110.6 -22.3 -16.6 81 82 A D E >> +G 86 0C 43 5,-3.2 5,-2.0 -2,-0.4 4,-0.6 -0.837 15.0 179.9-101.4 90.6 -110.4 -25.7 -14.9 82 83 A A T 45S+ 0 0 3 -2,-1.0 3,-0.3 3,-0.2 -1,-0.2 0.828 77.2 59.0 -61.3 -32.6 -106.7 -26.3 -14.8 83 84 A K T 45S+ 0 0 150 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.932 118.7 27.5 -65.8 -43.0 -107.2 -29.6 -13.1 84 85 A S T 45S- 0 0 51 2,-0.1 -1,-0.2 -3,-0.1 -2,-0.2 0.310 106.8-122.6 -99.6 6.4 -109.3 -31.1 -15.9 85 86 A S T <5 + 0 0 20 -4,-0.6 16,-1.7 -3,-0.3 2,-0.4 0.909 62.6 143.4 50.4 51.7 -107.7 -28.9 -18.6 86 87 A M E < -GH 81 100C 32 -5,-2.0 -5,-3.2 14,-0.2 2,-0.6 -0.965 43.2-152.4-123.0 140.1 -111.1 -27.4 -19.6 87 88 A V E -GH 80 99C 0 12,-2.1 12,-1.6 -2,-0.4 2,-0.4 -0.932 15.5-157.7-111.6 111.4 -112.0 -23.9 -20.7 88 89 A Y E +GH 79 98C 67 -9,-2.2 -10,-3.0 -2,-0.6 -9,-1.4 -0.767 23.3 160.1 -89.5 133.5 -115.6 -23.0 -19.9 89 90 A Y E -GH 77 97C 6 8,-2.4 8,-2.7 -2,-0.4 2,-0.4 -0.997 37.6-122.1-154.0 155.1 -117.2 -20.2 -21.9 90 91 A T E -GH 76 96C 25 -14,-2.1 -14,-2.7 -2,-0.3 6,-0.2 -0.829 27.4-139.6 -99.7 133.2 -120.5 -18.6 -23.0 91 92 A K > - 0 0 65 4,-3.3 3,-2.0 -2,-0.4 -16,-0.2 -0.410 29.5-103.7 -84.0 165.1 -121.2 -18.3 -26.7 92 93 A P T 3 S+ 0 0 88 0, 0.0 -1,-0.1 0, 0.0 -17,-0.1 0.895 121.2 60.5 -55.8 -41.4 -122.9 -15.2 -28.2 93 94 A D T 3 S- 0 0 123 1,-0.1 3,-0.1 2,-0.0 -3,-0.0 0.470 122.6-106.1 -66.2 -3.0 -126.2 -17.1 -28.4 94 95 A G S < S+ 0 0 44 -3,-2.0 -1,-0.1 1,-0.3 0, 0.0 0.212 78.1 133.9 96.1 -14.1 -126.1 -17.5 -24.6 95 96 A S - 0 0 45 -5,-0.1 -4,-3.3 1,-0.1 2,-0.4 -0.252 51.2-126.6 -68.2 158.6 -125.2 -21.2 -24.8 96 97 A M E +H 90 0C 145 -6,-0.2 2,-0.3 -3,-0.1 -6,-0.2 -0.870 30.3 169.7-114.1 139.0 -122.5 -22.7 -22.7 97 98 A A E -H 89 0C 16 -8,-2.7 -8,-2.4 -2,-0.4 2,-0.3 -0.850 17.0-163.3-137.9 170.8 -119.5 -24.7 -23.8 98 99 A E E -H 88 0C 99 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.902 10.2-162.7-159.2 130.7 -116.3 -26.2 -22.5 99 100 A E E -H 87 0C 21 -12,-1.6 -12,-2.1 -2,-0.3 2,-0.2 -0.960 16.6-128.6-122.9 139.0 -113.4 -27.4 -24.6 100 101 A E E -H 86 0C 122 -2,-0.4 2,-0.3 -14,-0.2 -14,-0.2 -0.533 27.0-168.9 -82.7 149.3 -110.5 -29.6 -23.5 101 102 A Y - 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