==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 16-MAR-11 3R3S . COMPND 2 MOLECULE: OXIDOREDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA ENTERICA SUBSP. ENTERICA SE . AUTHOR S.M.ANDERSON,Z.WAWRZAK,O.ONOPRIYENKO,S.N.PETERSON,W.F.ANDERS . 1168 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35107.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 777 66.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 131 11.2 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 . 51 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 167 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 331 28.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 32 2.7 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 4 0 0 0 4 0 4 4 5 3 0 4 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 5 11 8 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 . 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 H 0 0 109 0, 0.0 2,-0.4 0, 0.0 338,-0.0 0.000 360.0 360.0 360.0 79.2 18.2 -11.4 9.0 2 4 A L - 0 0 56 466,-0.1 2,-0.3 564,-0.0 466,-0.1 -0.671 360.0-157.5 -91.3 132.2 17.9 -7.6 8.6 3 5 A Y - 0 0 147 -2,-0.4 5,-0.1 466,-0.1 3,-0.0 -0.824 25.0-113.3-106.3 147.0 14.7 -5.9 7.6 4 6 A D >> - 0 0 22 -2,-0.3 3,-1.2 1,-0.2 4,-0.6 -0.678 23.6-151.1 -72.0 116.6 14.3 -2.4 6.0 5 7 A P T 34 S+ 0 0 5 0, 0.0 3,-0.4 0, 0.0 4,-0.3 0.778 91.1 65.1 -65.5 -22.8 12.4 -0.4 8.7 6 8 A T T 34 S+ 0 0 23 1,-0.2 3,-0.1 503,-0.2 504,-0.0 0.809 114.5 28.4 -70.2 -24.9 10.8 1.7 6.0 7 9 A T T <4 S+ 0 0 91 -3,-1.2 -1,-0.2 1,-0.1 4,-0.1 0.338 92.0 99.7-113.3 8.4 8.8 -1.2 4.6 8 10 A Q S < S+ 0 0 66 -4,-0.6 2,-0.2 -3,-0.4 -2,-0.1 0.700 88.5 27.1 -73.8 -22.9 8.5 -3.4 7.7 9 11 A Y S S- 0 0 44 -4,-0.3 249,-0.0 1,-0.1 248,-0.0 -0.749 114.4 -41.5-130.9 177.0 4.9 -2.4 8.6 10 12 A Y + 0 0 88 -2,-0.2 247,-0.3 1,-0.1 -1,-0.1 -0.095 49.2 170.2 -51.0 130.0 1.9 -1.1 6.6 11 13 A T + 0 0 75 -4,-0.1 -1,-0.1 245,-0.1 3,-0.1 0.302 42.9 103.8-125.5 3.5 2.9 1.5 3.9 12 14 A G S S- 0 0 26 1,-0.1 2,-0.2 244,-0.0 0, 0.0 -0.142 82.7 -88.3 -72.1 176.3 -0.4 1.8 2.0 13 15 A E - 0 0 99 234,-0.1 234,-0.2 1,-0.0 -1,-0.1 -0.623 45.7-115.3 -80.2 154.8 -2.8 4.7 2.3 14 16 A Y - 0 0 8 232,-1.8 234,-0.1 231,-0.4 3,-0.1 -0.749 26.0-117.0 -90.1 133.1 -5.4 4.4 5.1 15 17 A P - 0 0 60 0, 0.0 14,-0.2 0, 0.0 2,-0.1 -0.399 38.0-100.0 -61.0 142.6 -9.1 4.1 4.1 16 18 A K + 0 0 127 -2,-0.1 2,-0.3 229,-0.0 227,-0.1 -0.435 60.3 158.6 -57.1 135.7 -11.2 7.0 5.4 17 19 A Q - 0 0 28 225,-0.1 2,-0.3 -2,-0.1 11,-0.0 -0.965 22.1-167.6-164.5 145.8 -12.9 5.7 8.5 18 20 A K + 0 0 151 -2,-0.3 219,-0.2 219,-0.1 218,-0.1 -0.990 6.5 175.4-145.9 133.3 -14.6 7.2 11.6 19 21 A Q - 0 0 27 217,-1.8 2,-0.1 -2,-0.3 -2,-0.0 -0.941 41.5 -95.8-128.7 156.3 -15.8 5.8 14.9 20 22 A P S > S- 0 0 114 0, 0.0 3,-1.4 0, 0.0 218,-0.1 -0.500 71.3 -61.1 -65.7 141.0 -17.2 7.5 18.0 21 23 A A T 3 S+ 0 0 68 216,-0.4 213,-0.1 1,-0.3 217,-0.0 -0.336 122.5 25.8 -59.4 144.5 -14.5 8.1 20.5 22 24 A P T 3 S- 0 0 36 0, 0.0 -1,-0.3 0, 0.0 215,-0.1 -0.994 96.6-154.0 -87.4 -0.1 -12.7 6.2 22.0 23 25 A G < - 0 0 4 -3,-1.4 2,-0.5 214,-0.1 210,-0.1 0.182 17.8-105.3 85.1 153.4 -13.1 3.7 19.1 24 26 A V > - 0 0 14 1,-0.1 3,-1.4 209,-0.1 4,-0.2 -0.983 22.3-153.7-115.9 116.3 -12.9 -0.1 19.0 25 27 A Q G > S+ 0 0 0 -2,-0.5 3,-2.0 1,-0.3 -1,-0.1 0.816 88.7 69.6 -62.7 -30.6 -9.7 -1.1 17.3 26 28 A A G 3 S+ 0 0 35 1,-0.3 -1,-0.3 5,-0.1 5,-0.1 0.669 96.3 56.2 -61.7 -18.6 -11.0 -4.5 16.1 27 29 A K G < S+ 0 0 142 -3,-1.4 -1,-0.3 3,-0.1 -2,-0.2 0.483 88.6 107.7 -89.9 -5.0 -13.2 -2.5 13.6 28 30 A M S < S- 0 0 6 -3,-2.0 3,-0.2 -4,-0.2 205,-0.0 -0.353 72.3-113.4 -76.8 157.0 -10.2 -0.6 12.0 29 31 A T S S+ 0 0 73 1,-0.4 2,-0.1 -14,-0.2 -3,-0.0 -0.955 109.9 14.5-130.9 108.4 -8.7 -1.1 8.6 30 32 A P S S- 0 0 40 0, 0.0 -1,-0.4 0, 0.0 -3,-0.1 0.686 98.4-128.0 -76.2 165.4 -6.0 -2.2 9.1 31 33 A V - 0 0 72 -3,-0.2 -5,-0.1 -2,-0.1 -6,-0.1 -0.644 38.0-102.0 -71.6 129.4 -6.2 -3.3 12.7 32 34 A P - 0 0 2 0, 0.0 2,-0.7 0, 0.0 26,-0.1 -0.306 31.8-124.4 -51.1 135.0 -3.2 -1.7 14.5 33 35 A D + 0 0 53 1,-0.1 228,-2.7 198,-0.1 229,-0.3 -0.776 31.8 176.6 -85.5 114.8 -0.4 -4.2 15.1 34 36 A C - 0 0 1 -2,-0.7 31,-0.2 226,-0.2 -1,-0.1 0.147 60.0 -91.7-105.6 17.0 0.3 -4.2 18.8 35 37 A G S >> S+ 0 0 3 30,-0.1 4,-2.3 3,-0.0 3,-0.6 0.574 78.6 142.7 88.8 10.8 2.9 -7.0 18.8 36 38 A E T 34 S+ 0 0 35 1,-0.3 -3,-0.0 2,-0.2 -1,-0.0 0.835 82.6 24.6 -51.6 -41.3 0.5 -9.8 19.4 37 39 A K T 34 S+ 0 0 203 1,-0.1 -1,-0.3 3,-0.0 -4,-0.0 0.438 129.9 40.6-105.2 -2.3 2.3 -12.2 17.1 38 40 A S T <4 S+ 0 0 64 -3,-0.6 2,-0.4 2,-0.0 -2,-0.2 0.718 78.5 99.8-120.2 -31.8 5.8 -10.7 17.1 39 41 A Y < - 0 0 31 -4,-2.3 2,-0.5 1,-0.0 -5,-0.0 -0.487 46.1-173.5 -75.0 124.3 6.9 -9.6 20.6 40 42 A V - 0 0 125 -2,-0.4 2,-0.1 30,-0.0 30,-0.1 -0.960 9.6-149.9-117.3 124.9 9.2 -12.1 22.4 41 43 A G - 0 0 26 -2,-0.5 29,-0.2 28,-0.3 26,-0.1 -0.315 15.0-163.2 -86.4 172.5 10.3 -11.5 26.0 42 44 A S - 0 0 53 -2,-0.1 28,-0.1 28,-0.0 -1,-0.1 0.016 60.4 -87.4-143.5 25.5 13.4 -12.5 27.8 43 45 A G S > S+ 0 0 42 26,-0.4 3,-1.4 1,-0.1 27,-0.1 0.662 79.4 140.6 79.8 16.3 12.4 -12.2 31.5 44 46 A R T 3 S+ 0 0 43 1,-0.3 229,-0.5 228,-0.1 230,-0.2 0.668 81.7 30.9 -69.2 -13.6 13.3 -8.5 31.8 45 47 A L T > S+ 0 0 1 25,-2.2 3,-2.4 22,-0.1 -1,-0.3 -0.062 84.1 170.5-130.3 32.9 10.2 -7.9 33.9 46 48 A K T < S- 0 0 149 -3,-1.4 26,-0.2 1,-0.3 25,-0.2 -0.226 72.8 -7.5 -57.8 126.9 9.9 -11.2 35.7 47 49 A D T 3 S+ 0 0 79 24,-2.5 -1,-0.3 1,-0.2 25,-0.2 0.546 96.0 144.7 62.2 14.4 7.2 -11.1 38.5 48 50 A R < - 0 0 10 -3,-2.4 25,-2.5 19,-0.1 2,-0.4 -0.268 45.4-134.8 -69.8 166.8 6.8 -7.4 38.2 49 51 A K E -a 73 0A 47 23,-0.2 79,-3.0 -3,-0.1 80,-1.8 -0.956 26.1-172.4-134.9 108.7 3.3 -6.0 38.7 50 52 A A E -ab 74 129A 0 23,-2.8 25,-3.0 -2,-0.4 2,-0.5 -0.842 22.0-161.5-114.6 141.3 2.0 -3.4 36.2 51 53 A L E -ab 75 130A 0 78,-2.2 80,-2.9 -2,-0.4 2,-0.5 -0.986 17.5-173.9-110.0 128.5 -0.9 -1.1 35.9 52 54 A V E > -ab 76 131A 0 23,-2.8 25,-2.1 -2,-0.5 3,-0.8 -0.977 11.6-153.6-124.5 114.8 -1.4 0.2 32.3 53 55 A T E 3 S+ab 77 132A 3 78,-2.1 80,-0.6 -2,-0.5 25,-0.2 -0.644 88.4 25.8 -82.4 151.1 -4.1 2.8 31.5 54 56 A G T > S+ 0 0 14 23,-0.7 3,-1.0 -2,-0.3 7,-0.5 0.789 82.5 145.4 62.7 29.1 -5.3 2.6 27.9 55 57 A G T < + 0 0 0 22,-1.7 23,-0.1 -3,-0.8 -2,-0.1 0.535 50.9 72.7 -78.3 -5.1 -4.3 -1.1 28.1 56 58 A D T 3 S+ 0 0 2 21,-0.5 2,-0.3 1,-0.1 -1,-0.2 0.704 107.6 2.0 -78.4 -26.7 -7.2 -2.2 25.8 57 59 A S S X> S+ 0 0 19 -3,-1.0 4,-1.8 -32,-0.0 3,-0.6 -0.951 103.0 6.1-154.1 164.8 -5.9 -0.9 22.5 58 60 A G H 3> S- 0 0 4 -2,-0.3 4,-2.3 1,-0.2 5,-0.1 -0.103 116.9 -9.1 62.8-142.9 -3.1 0.9 20.7 59 61 A I H 3> S+ 0 0 27 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.893 135.9 52.8 -64.1 -41.3 0.1 1.9 22.4 60 62 A G H <> S+ 0 0 1 -3,-0.6 4,-2.8 -6,-0.3 -1,-0.2 0.902 109.5 50.6 -61.2 -41.1 -1.1 0.9 25.9 61 63 A R H X S+ 0 0 11 -4,-1.8 4,-2.9 -7,-0.5 5,-0.2 0.915 107.9 52.2 -60.6 -43.0 -2.1 -2.5 24.6 62 64 A A H X S+ 0 0 1 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.917 112.2 46.2 -60.9 -40.2 1.4 -2.9 23.0 63 65 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.927 112.3 50.6 -64.5 -46.4 3.0 -2.1 26.4 64 66 A A H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.920 112.3 46.6 -60.0 -45.4 0.6 -4.5 28.3 65 67 A I H X S+ 0 0 1 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.948 114.5 46.4 -61.5 -50.6 1.3 -7.3 25.9 66 68 A A H X S+ 0 0 1 -4,-2.4 4,-1.8 -5,-0.2 -2,-0.2 0.872 109.6 54.3 -62.5 -37.5 5.1 -6.8 26.1 67 69 A Y H <>S+ 0 0 0 -4,-2.7 5,-2.6 2,-0.2 -1,-0.2 0.947 111.6 44.6 -61.3 -46.2 5.0 -6.5 29.9 68 70 A A H ><5S+ 0 0 2 -4,-2.2 3,-1.7 1,-0.2 -2,-0.2 0.914 111.4 53.6 -64.1 -42.1 3.2 -9.9 30.2 69 71 A R H 3<5S+ 0 0 63 -4,-2.7 -26,-0.4 1,-0.3 -28,-0.3 0.824 107.1 53.6 -60.7 -29.9 5.7 -11.4 27.5 70 72 A E T 3<5S- 0 0 1 -4,-1.8 -25,-2.2 -3,-0.2 -1,-0.3 0.361 131.6 -92.3 -88.2 3.4 8.5 -10.1 29.8 71 73 A G T < 5S+ 0 0 12 -3,-1.7 -24,-2.5 1,-0.3 2,-0.3 0.519 80.7 132.5 105.2 7.3 7.1 -11.9 32.8 72 74 A A < - 0 0 0 -5,-2.6 -1,-0.3 -26,-0.2 2,-0.3 -0.661 54.5-126.9 -94.3 146.5 4.9 -9.2 34.5 73 75 A D E -a 49 0A 23 -25,-2.5 -23,-2.8 -2,-0.3 2,-0.4 -0.669 35.9-151.7 -78.6 143.9 1.4 -9.5 35.8 74 76 A V E -ac 50 100A 0 25,-2.5 27,-2.1 -2,-0.3 2,-0.5 -0.974 22.2-168.8-134.8 126.2 -0.7 -6.8 34.3 75 77 A A E -ac 51 101A 0 -25,-3.0 -23,-2.8 -2,-0.4 2,-0.4 -0.922 19.8-160.3-101.7 133.6 -3.8 -4.8 35.3 76 78 A I E -ac 52 102A 0 25,-2.8 27,-3.1 -2,-0.5 2,-0.3 -0.936 8.7-160.1-115.4 145.2 -5.4 -2.7 32.5 77 79 A N E +a 53 0A 3 -25,-2.1 -22,-1.7 -2,-0.4 -23,-0.7 -0.842 27.9 139.2-116.3 151.2 -7.8 0.3 32.7 78 80 A Y - 0 0 6 25,-0.5 27,-2.6 -2,-0.3 5,-0.0 -0.919 53.7 -75.7-174.4 174.1 -9.9 1.4 29.8 79 81 A L > - 0 0 62 -2,-0.3 3,-2.7 25,-0.2 4,-0.1 -0.655 39.9-115.6 -90.4 147.2 -13.5 2.6 29.2 80 82 A P G > S+ 0 0 83 0, 0.0 3,-2.0 0, 0.0 4,-0.2 0.821 113.1 66.6 -50.5 -35.1 -16.5 0.3 29.3 81 83 A A G 3 S+ 0 0 75 1,-0.3 3,-0.3 2,-0.1 -58,-0.0 0.714 98.6 55.4 -59.0 -17.8 -17.2 0.9 25.6 82 84 A E G X> + 0 0 15 -3,-2.7 4,-2.6 1,-0.2 3,-0.6 0.206 67.9 119.4-102.1 14.9 -13.9 -0.9 24.9 83 85 A E H <> S+ 0 0 73 -3,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.830 72.0 56.0 -51.7 -40.5 -14.7 -4.1 26.7 84 86 A E H 3> S+ 0 0 111 -3,-0.3 4,-1.2 2,-0.2 -1,-0.2 0.919 111.1 43.7 -59.2 -45.7 -14.3 -6.2 23.5 85 87 A D H <> S+ 0 0 0 -3,-0.6 4,-1.8 1,-0.2 3,-0.3 0.923 113.0 52.2 -65.1 -44.0 -10.8 -4.9 23.0 86 88 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.888 104.3 56.6 -61.3 -38.6 -10.0 -5.3 26.7 87 89 A Q H X S+ 0 0 87 -4,-2.7 4,-1.9 -5,-0.2 -1,-0.2 0.865 104.7 52.7 -60.7 -35.7 -11.2 -9.0 26.5 88 90 A Q H X S+ 0 0 69 -4,-1.2 4,-2.2 -3,-0.3 -1,-0.2 0.907 110.0 48.2 -64.1 -41.3 -8.6 -9.6 23.7 89 91 A V H X S+ 0 0 0 -4,-1.8 4,-2.8 2,-0.2 5,-0.3 0.894 106.2 57.0 -67.5 -38.6 -5.9 -8.2 25.9 90 92 A K H X S+ 0 0 64 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.945 109.8 46.1 -51.9 -49.8 -7.0 -10.3 28.9 91 93 A A H X S+ 0 0 36 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.912 111.0 51.6 -63.5 -43.1 -6.5 -13.4 26.7 92 94 A L H X S+ 0 0 22 -4,-2.2 4,-0.6 2,-0.2 -1,-0.2 0.906 111.9 46.2 -59.9 -43.8 -3.1 -12.2 25.4 93 95 A I H ><>S+ 0 0 0 -4,-2.8 5,-1.6 1,-0.2 3,-1.3 0.943 113.8 48.4 -64.8 -44.5 -1.8 -11.6 28.9 94 96 A E H ><5S+ 0 0 87 -4,-2.6 3,-2.0 1,-0.3 -2,-0.2 0.848 103.9 60.8 -66.3 -30.9 -3.1 -15.0 30.1 95 97 A E H 3<5S+ 0 0 146 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.649 97.7 60.2 -71.5 -13.8 -1.6 -16.7 27.1 96 98 A C T <<5S- 0 0 36 -3,-1.3 -1,-0.3 -4,-0.6 -2,-0.2 0.371 122.6-109.9 -84.9 -1.1 1.8 -15.4 28.4 97 99 A G T < 5S+ 0 0 64 -3,-2.0 2,-0.2 1,-0.3 -3,-0.2 0.634 81.4 119.4 82.3 13.4 1.1 -17.4 31.6 98 100 A R < - 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