==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 17-APR-13 4K7Z . COMPND 2 MOLECULE: MERCURIC REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR A.DONG,M.FALKOWASKI,M.MALONE,S.M.MILLER,E.F.PAI . 467 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21597.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 335 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 8.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 66 14.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 . 38 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 117 25.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.6 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 3 3 0 1 0 0 0 2 2 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 2 2 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 1 1 2 4 1 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 . 1 2 0 2 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 0 231 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 138.1 71.0 -37.3 72.2 2 2 A E - 0 0 175 1,-0.1 3,-0.1 3,-0.0 0, 0.0 -0.760 360.0-126.1 -99.2 132.9 70.5 -35.5 68.8 3 3 A P - 0 0 102 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.275 32.0 -91.2 -75.0 153.9 68.5 -32.3 68.5 4 4 A P - 0 0 67 0, 0.0 24,-0.2 0, 0.0 2,-0.1 -0.388 49.6-105.0 -56.2 137.8 65.6 -31.6 66.2 5 5 A V - 0 0 52 22,-0.2 24,-2.9 18,-0.1 2,-0.8 -0.459 30.6-128.4 -63.2 135.9 66.7 -30.1 62.9 6 6 A Q E -a 29 0A 56 22,-0.2 134,-2.8 -2,-0.1 135,-1.9 -0.838 30.1-173.7 -93.0 111.5 66.0 -26.4 62.7 7 7 A V E -ab 30 141A 2 22,-2.7 24,-2.5 -2,-0.8 2,-0.4 -0.937 9.1-160.7-111.3 123.6 64.1 -25.7 59.5 8 8 A A E -ab 31 142A 0 133,-2.5 135,-2.7 -2,-0.5 2,-0.4 -0.868 5.7-167.1 -99.5 136.5 63.2 -22.2 58.3 9 9 A V E -ab 32 143A 0 22,-2.7 24,-2.8 -2,-0.4 2,-0.6 -0.994 8.3-154.8-125.0 123.9 60.5 -21.7 55.8 10 10 A I E +ab 33 144A 9 133,-2.7 135,-2.2 -2,-0.4 24,-0.2 -0.900 66.3 19.8-100.8 115.4 60.0 -18.4 54.0 11 11 A G - 0 0 7 22,-3.1 22,-0.2 -2,-0.6 135,-0.1 -0.402 62.6-130.4 114.2 168.3 56.3 -18.0 52.9 12 12 A S + 0 0 1 133,-0.2 27,-0.3 25,-0.1 -1,-0.1 0.098 66.1 109.6-143.7 22.9 53.0 -19.5 53.8 13 13 A G S > S- 0 0 15 132,-0.5 4,-2.9 25,-0.1 5,-0.3 0.029 91.6 -64.5 -82.1-163.1 51.5 -20.6 50.5 14 14 A G H > S+ 0 0 16 25,-0.2 4,-1.8 1,-0.2 5,-0.2 0.865 134.9 45.4 -57.8 -41.4 51.0 -24.0 49.1 15 15 A A H > S+ 0 0 7 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.944 116.0 44.9 -66.6 -50.3 54.8 -24.8 48.9 16 16 A A H > S+ 0 0 0 129,-0.3 4,-2.9 1,-0.2 -2,-0.2 0.895 113.3 50.1 -62.6 -43.3 55.6 -23.5 52.4 17 17 A M H X S+ 0 0 12 -4,-2.9 4,-2.3 2,-0.2 5,-0.2 0.930 111.5 47.6 -61.7 -48.0 52.6 -25.1 54.0 18 18 A A H X S+ 0 0 17 -4,-1.8 4,-2.2 -5,-0.3 -1,-0.2 0.916 115.6 46.0 -58.9 -44.1 53.4 -28.5 52.6 19 19 A A H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.911 110.7 51.7 -65.2 -46.1 57.0 -28.2 53.6 20 20 A A H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.939 113.7 43.8 -59.0 -47.6 56.3 -27.0 57.1 21 21 A L H X S+ 0 0 62 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.896 115.4 46.9 -67.2 -42.5 53.9 -29.9 57.8 22 22 A K H X S+ 0 0 55 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.884 110.3 53.9 -66.1 -40.0 56.1 -32.6 56.3 23 23 A A H <>S+ 0 0 0 -4,-2.8 5,-2.6 2,-0.2 -2,-0.2 0.924 110.6 45.9 -60.3 -45.6 59.2 -31.2 58.1 24 24 A V H ><5S+ 0 0 28 -4,-2.1 3,-2.7 3,-0.2 -2,-0.2 0.946 109.6 54.4 -62.3 -46.8 57.4 -31.5 61.5 25 25 A E H 3<5S+ 0 0 120 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.853 106.7 53.0 -53.2 -35.7 56.1 -35.0 60.6 26 26 A Q T 3<5S- 0 0 87 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.268 129.2 -99.4 -86.2 9.1 59.8 -35.8 60.0 27 27 A G T < 5S+ 0 0 51 -3,-2.7 -3,-0.2 1,-0.3 -22,-0.2 0.543 77.0 135.8 91.0 10.6 60.7 -34.5 63.5 28 28 A A < - 0 0 4 -5,-2.6 2,-0.5 -24,-0.2 -1,-0.3 -0.479 54.2-124.4 -89.4 160.3 62.0 -31.0 62.6 29 29 A Q E -a 6 0A 87 -24,-2.9 -22,-2.7 -2,-0.2 2,-0.4 -0.931 32.0-150.4-104.2 123.1 61.3 -27.8 64.4 30 30 A V E -ac 7 110A 0 79,-2.8 81,-2.6 -2,-0.5 2,-0.5 -0.806 20.0-171.3-106.9 132.8 59.9 -25.2 62.0 31 31 A T E -ac 8 111A 11 -24,-2.5 -22,-2.7 -2,-0.4 2,-0.5 -0.987 17.8-167.1-113.6 117.5 60.2 -21.4 62.0 32 32 A L E -ac 9 112A 0 79,-2.9 81,-3.0 -2,-0.5 2,-0.5 -0.918 3.1-161.0-113.4 128.8 57.9 -20.0 59.2 33 33 A I E +ac 10 113A 2 -24,-2.8 -22,-3.1 -2,-0.5 2,-0.4 -0.942 12.8 172.9-117.5 123.9 58.2 -16.4 58.2 34 34 A E E - c 0 114A 23 79,-2.5 81,-1.4 -2,-0.5 4,-0.1 -0.996 18.7-166.9-135.4 127.6 55.4 -14.6 56.3 35 35 A R S S+ 0 0 104 -2,-0.4 81,-0.1 79,-0.2 2,-0.1 0.718 75.1 17.8 -85.0 -25.8 55.3 -10.9 55.5 36 36 A G S S- 0 0 36 1,-0.3 2,-0.1 79,-0.1 79,-0.1 -0.180 112.8 -18.0-122.2-147.1 51.6 -10.6 54.4 37 37 A T S > S- 0 0 84 1,-0.1 3,-1.3 -2,-0.1 -1,-0.3 -0.413 72.9-107.1 -67.2 135.4 48.4 -12.6 54.8 38 38 A I T 3 S+ 0 0 12 1,-0.2 63,-0.1 -2,-0.1 -1,-0.1 -0.342 100.9 39.9 -59.8 138.8 48.9 -16.2 55.8 39 39 A G T 3> S- 0 0 1 -27,-0.3 4,-0.7 61,-0.1 -25,-0.2 0.143 89.1-143.1 109.1 -19.3 48.1 -18.6 52.9 40 40 A G H <> - 0 0 23 -3,-1.3 4,-1.3 -27,-0.2 5,-0.4 -0.210 53.2 -23.7 63.4-143.8 49.7 -16.8 50.0 41 41 A T H >>S+ 0 0 45 3,-0.2 4,-2.0 2,-0.2 5,-1.2 0.936 122.0 54.7 -81.1 -50.7 48.2 -16.8 46.5 42 42 A A H >5S+ 0 0 18 1,-0.2 6,-2.6 -3,-0.2 4,-0.5 0.913 118.9 32.0 -57.2 -47.9 46.0 -19.8 45.9 43 43 A V H <5S+ 0 0 2 -4,-0.7 -1,-0.2 4,-0.2 -2,-0.2 0.910 129.4 32.4 -77.5 -40.4 43.7 -19.3 48.9 44 44 A N H <5S- 0 0 20 -4,-1.3 -3,-0.2 -5,-0.2 -2,-0.2 0.875 137.1 -2.2 -88.7 -43.9 43.7 -15.5 49.2 45 45 A V H <5S+ 0 0 44 -4,-2.0 -3,-0.2 -5,-0.4 125,-0.1 0.150 122.3 44.2-139.1 18.5 44.1 -13.9 45.7 46 46 A G S X S+ 0 0 38 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.867 123.1 48.2 -52.4 -51.7 42.8 -20.1 42.5 48 48 A V H > S+ 0 0 40 -6,-2.6 4,-2.0 2,-0.2 5,-0.2 0.975 116.1 38.3 -65.0 -56.9 40.1 -20.0 45.1 49 49 A P H > S+ 0 0 3 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.889 117.6 52.7 -62.9 -34.8 38.5 -16.6 44.6 50 50 A S H X S+ 0 0 8 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.931 109.3 46.8 -64.6 -46.6 39.0 -16.8 40.8 51 51 A K H X S+ 0 0 57 -4,-2.5 4,-2.0 -5,-0.2 -1,-0.2 0.866 112.2 51.8 -64.6 -33.6 37.2 -20.2 40.5 52 52 A I H X S+ 0 0 43 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.955 111.3 46.6 -64.8 -47.1 34.4 -18.9 42.7 53 53 A M H X S+ 0 0 1 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.884 111.2 52.2 -62.9 -37.4 33.9 -15.9 40.5 54 54 A I H X S+ 0 0 29 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.865 108.4 50.8 -68.2 -36.8 34.0 -18.0 37.4 55 55 A R H X S+ 0 0 151 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.927 109.7 49.7 -66.5 -44.0 31.3 -20.3 38.8 56 56 A A H X S+ 0 0 23 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.926 111.0 51.2 -55.1 -45.7 29.1 -17.2 39.5 57 57 A A H X S+ 0 0 1 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.856 105.5 55.5 -59.6 -37.7 29.8 -16.1 35.9 58 58 A H H X S+ 0 0 47 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.916 108.9 46.5 -64.3 -43.1 28.8 -19.5 34.6 59 59 A I H X S+ 0 0 66 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.929 112.9 49.6 -65.7 -44.3 25.4 -19.2 36.3 60 60 A A H X S+ 0 0 4 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.931 111.8 49.6 -58.5 -45.8 24.9 -15.7 35.1 61 61 A H H X S+ 0 0 14 -4,-2.8 4,-2.3 1,-0.2 3,-0.4 0.929 110.5 48.2 -60.6 -47.6 25.8 -16.7 31.6 62 62 A L H < S+ 0 0 85 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.756 108.4 54.9 -69.7 -22.5 23.4 -19.7 31.5 63 63 A R H < S+ 0 0 162 -4,-1.7 12,-1.5 -5,-0.2 -1,-0.2 0.820 112.9 45.0 -72.6 -30.0 20.6 -17.5 32.9 64 64 A R H < S- 0 0 65 -4,-1.5 2,-0.3 -3,-0.4 -2,-0.2 0.847 128.3 -9.6 -78.7 -40.1 21.3 -15.2 29.9 65 65 A E < + 0 0 73 -4,-2.3 -1,-0.2 -5,-0.1 8,-0.0 -0.994 56.2 166.7-161.5 154.6 21.5 -17.8 27.1 66 66 A S > - 0 0 36 -2,-0.3 3,-1.3 6,-0.1 4,-0.1 -0.972 50.3-100.9-161.8 167.0 21.7 -21.5 26.3 67 67 A P T 3 S+ 0 0 71 0, 0.0 3,-0.2 0, 0.0 320,-0.0 0.542 119.8 58.1 -71.2 -3.5 21.4 -24.0 23.4 68 68 A F T >> + 0 0 93 1,-0.1 3,-1.4 2,-0.1 4,-1.2 0.084 66.2 115.3-110.8 20.7 17.9 -24.7 24.7 69 69 A D T <4 + 0 0 62 -3,-1.3 -1,-0.1 1,-0.3 5,-0.1 0.703 62.1 73.9 -69.5 -17.5 16.5 -21.2 24.5 70 70 A G T 34 S+ 0 0 92 -3,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.853 117.1 18.5 -57.8 -35.0 14.1 -22.2 21.8 71 71 A G T <4 S+ 0 0 75 -3,-1.4 2,-0.4 1,-0.2 -2,-0.2 0.402 122.2 60.3-118.7 -1.9 12.1 -24.0 24.5 72 72 A I S < S- 0 0 105 -4,-1.2 -1,-0.2 -6,-0.1 -6,-0.1 -0.971 80.6-128.8-130.5 117.4 13.3 -22.4 27.8 73 73 A A - 0 0 100 -2,-0.4 2,-0.3 -3,-0.1 -3,-0.1 -0.290 22.2-153.3 -63.7 147.6 12.9 -18.6 28.3 74 74 A A - 0 0 45 -5,-0.1 2,-0.3 -10,-0.1 -10,-0.2 -0.877 8.8-168.2-119.3 153.0 16.0 -16.6 29.3 75 75 A T - 0 0 111 -12,-1.5 -10,-0.0 -2,-0.3 0, 0.0 -0.926 31.9-111.4-131.6 157.9 16.3 -13.3 31.3 76 76 A V - 0 0 108 -2,-0.3 2,-0.2 -12,-0.0 -12,-0.1 -0.857 44.5-136.4 -86.5 114.8 19.1 -11.0 31.8 77 77 A P - 0 0 28 0, 0.0 2,-0.3 0, 0.0 -13,-0.0 -0.529 8.2-119.8 -78.7 139.7 19.8 -11.5 35.6 78 78 A T - 0 0 143 -2,-0.2 2,-0.5 2,-0.0 0, 0.0 -0.599 30.5-148.1 -67.2 135.8 20.4 -8.5 37.9 79 79 A I - 0 0 53 -2,-0.3 2,-0.8 119,-0.1 96,-0.1 -0.951 14.2-166.4-114.3 122.4 23.9 -9.0 39.5 80 80 A D > - 0 0 87 -2,-0.5 4,-2.0 1,-0.2 3,-0.2 -0.869 7.5-177.8-104.7 96.6 24.7 -7.7 43.0 81 81 A R H > S+ 0 0 12 -2,-0.8 4,-3.1 1,-0.2 5,-0.2 0.793 78.0 63.3 -69.8 -25.6 28.5 -7.9 43.1 82 82 A S H > S+ 0 0 71 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.946 108.1 42.1 -62.3 -45.0 28.6 -6.8 46.7 83 83 A K H > S+ 0 0 150 -3,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.904 115.2 50.0 -67.9 -41.1 26.8 -9.9 47.7 84 84 A L H X S+ 0 0 39 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.932 111.6 48.6 -63.1 -43.0 28.8 -12.1 45.4 85 85 A L H X S+ 0 0 26 -4,-3.1 4,-3.2 2,-0.2 5,-0.2 0.918 110.0 51.6 -63.4 -42.6 32.1 -10.6 46.7 86 86 A A H X S+ 0 0 58 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.920 111.7 47.0 -60.6 -42.9 31.0 -11.2 50.3 87 87 A Q H X S+ 0 0 131 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.923 114.2 47.9 -61.5 -46.6 30.1 -14.8 49.6 88 88 A Q H X S+ 0 0 4 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.941 112.7 48.0 -58.5 -50.2 33.5 -15.3 47.8 89 89 A Q H X S+ 0 0 68 -4,-3.2 4,-3.0 1,-0.2 5,-0.2 0.848 106.3 57.1 -64.5 -35.3 35.5 -13.6 50.6 90 90 A A H X S+ 0 0 59 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.2 0.912 108.5 46.4 -64.6 -40.4 33.8 -15.7 53.3 91 91 A R H X S+ 0 0 135 -4,-1.7 4,-2.6 2,-0.2 5,-0.2 0.928 113.2 50.1 -66.1 -43.2 34.9 -18.9 51.6 92 92 A V H X S+ 0 0 1 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.943 113.3 45.5 -56.3 -48.8 38.4 -17.5 51.2 93 93 A D H X S+ 0 0 66 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.902 112.5 51.4 -65.6 -41.0 38.5 -16.5 54.9 94 94 A E H X S+ 0 0 98 -4,-2.5 4,-2.8 -5,-0.2 -1,-0.2 0.917 112.2 45.6 -60.0 -46.8 37.1 -19.8 56.0 95 95 A L H X S+ 0 0 55 -4,-2.6 4,-2.7 2,-0.2 5,-0.5 0.888 108.7 55.4 -69.6 -37.8 39.7 -21.8 54.0 96 96 A R H X>S+ 0 0 38 -4,-2.5 5,-2.6 -5,-0.2 4,-1.2 0.929 114.1 42.2 -57.7 -45.0 42.6 -19.6 55.2 97 97 A H H <>S+ 0 0 121 -4,-2.1 5,-3.2 3,-0.2 6,-0.3 0.961 119.4 42.5 -63.0 -53.6 41.5 -20.4 58.8 98 98 A A H <5S+ 0 0 52 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.868 127.0 25.1 -66.0 -43.4 40.9 -24.1 58.3 99 99 A K H <5S+ 0 0 139 -4,-2.7 -1,-0.2 -5,-0.2 -3,-0.2 0.501 135.4 17.7-106.8 -9.0 43.8 -25.2 56.1 100 100 A Y T X5S+ 0 0 33 -4,-1.2 4,-2.5 -5,-0.5 3,-0.3 0.592 124.5 34.5-125.5 -72.3 46.5 -22.6 56.9 101 101 A E H >< S+ 0 0 5 -4,-2.5 3,-0.9 1,-0.2 -2,-0.2 0.891 117.3 46.7 -69.9 -41.6 50.1 -23.7 61.8 105 105 A G H 3< S+ 0 0 66 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.809 107.1 56.9 -73.0 -30.6 48.7 -22.4 65.1 106 106 A G T 3< S+ 0 0 66 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.343 92.0 83.1 -83.9 5.2 47.7 -25.8 66.4 107 107 A N X - 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