==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 02-MAY-05 1ZK7 . COMPND 2 MOLECULE: MERCURIC REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR A.DONG,R.LEDWIDGE,B.PATEL,D.FIEDLER,M.FALKOWSKI,J.ZELIKOVA, . 467 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21604.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 341 73.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 8.6 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 . 1 0.2 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 . 39 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 118 25.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.4 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 1 2 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 . 2 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 3 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 0.000 360.0 360.0 360.0 150.7 71.2 -37.3 72.0 2 2 A E - 0 0 173 1,-0.0 3,-0.1 3,-0.0 0, 0.0 -0.753 360.0-127.6 -97.8 140.2 70.6 -35.5 68.7 3 3 A P - 0 0 105 0, 0.0 3,-0.1 0, 0.0 -1,-0.0 -0.471 34.5 -92.9 -82.3 152.6 68.8 -32.2 68.4 4 4 A P - 0 0 69 0, 0.0 24,-0.2 0, 0.0 2,-0.1 -0.375 49.2-102.0 -63.3 142.3 65.9 -31.6 66.0 5 5 A V - 0 0 53 22,-0.3 24,-2.9 18,-0.1 2,-0.8 -0.453 33.0-127.8 -65.7 135.6 67.0 -30.2 62.7 6 6 A Q E -a 29 0A 56 22,-0.2 134,-2.9 -2,-0.1 135,-1.9 -0.799 30.8-174.5 -90.7 112.7 66.3 -26.5 62.5 7 7 A V E -ab 30 141A 1 22,-2.9 24,-2.3 -2,-0.8 2,-0.4 -0.932 9.5-162.7-113.5 128.7 64.3 -25.8 59.3 8 8 A A E -ab 31 142A 0 133,-2.3 135,-2.6 -2,-0.5 2,-0.4 -0.876 5.0-168.2-107.4 140.6 63.4 -22.3 58.1 9 9 A V E -ab 32 143A 0 22,-2.4 24,-2.8 -2,-0.4 2,-0.7 -0.994 9.2-153.5-131.4 124.0 60.7 -21.7 55.5 10 10 A I E +ab 33 144A 9 133,-2.6 135,-2.1 -2,-0.4 24,-0.2 -0.887 66.1 21.7-101.0 117.7 60.2 -18.4 53.8 11 11 A G - 0 0 7 22,-3.2 135,-0.1 -2,-0.7 22,-0.1 -0.415 62.7-130.8 115.2 167.2 56.6 -18.0 52.6 12 12 A S + 0 0 1 133,-0.2 27,-0.5 -2,-0.1 -1,-0.1 0.083 65.0 109.3-144.4 24.9 53.2 -19.6 53.6 13 13 A G S > S- 0 0 15 132,-0.5 4,-2.9 25,-0.1 5,-0.3 0.021 91.4 -64.3 -86.0-161.5 51.7 -20.6 50.3 14 14 A G H > S+ 0 0 14 25,-0.2 4,-1.8 1,-0.2 5,-0.2 0.866 134.7 46.2 -56.3 -41.4 51.2 -24.1 48.9 15 15 A A H > S+ 0 0 6 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.946 116.0 44.4 -68.0 -49.0 54.9 -24.9 48.7 16 16 A A H > S+ 0 0 0 129,-0.3 4,-3.0 2,-0.2 -2,-0.2 0.890 113.3 50.6 -63.3 -42.4 55.7 -23.6 52.2 17 17 A M H X S+ 0 0 14 -4,-2.9 4,-2.0 2,-0.2 5,-0.2 0.929 111.6 46.4 -62.4 -48.0 52.7 -25.2 53.9 18 18 A A H X S+ 0 0 21 -4,-1.8 4,-1.8 -5,-0.3 -1,-0.2 0.909 116.4 46.3 -61.5 -42.2 53.4 -28.6 52.5 19 19 A A H X S+ 0 0 0 -4,-2.0 4,-2.9 -5,-0.2 5,-0.2 0.925 109.3 53.0 -66.7 -47.7 57.1 -28.3 53.4 20 20 A A H X S+ 0 0 0 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.931 114.1 41.6 -55.4 -49.6 56.5 -27.1 56.9 21 21 A L H X S+ 0 0 57 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.853 114.9 50.1 -70.0 -34.3 54.2 -29.9 57.9 22 22 A K H X S+ 0 0 52 -4,-1.8 4,-1.8 -5,-0.2 -2,-0.2 0.904 109.4 52.7 -69.4 -40.2 56.3 -32.6 56.1 23 23 A A H <>S+ 0 0 0 -4,-2.9 5,-2.7 1,-0.2 -2,-0.2 0.923 110.4 47.2 -60.4 -44.5 59.4 -31.3 57.9 24 24 A V H ><5S+ 0 0 32 -4,-2.0 3,-2.0 1,-0.2 -1,-0.2 0.905 108.7 54.6 -63.9 -41.4 57.7 -31.5 61.3 25 25 A E H 3<5S+ 0 0 126 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.855 107.1 52.6 -60.0 -33.5 56.5 -35.0 60.4 26 26 A Q T 3<5S- 0 0 97 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.278 129.5 -97.0 -86.9 10.5 60.1 -35.9 59.8 27 27 A G T < 5S+ 0 0 49 -3,-2.0 -22,-0.3 1,-0.3 -3,-0.2 0.557 78.0 134.5 90.2 9.5 61.1 -34.6 63.2 28 28 A A < - 0 0 4 -5,-2.7 2,-0.6 -24,-0.2 -1,-0.3 -0.533 53.5-126.6 -92.9 159.9 62.4 -31.1 62.3 29 29 A Q E -a 6 0A 84 -24,-2.9 -22,-2.9 -2,-0.2 2,-0.4 -0.924 32.1-150.9-104.1 123.6 61.6 -27.8 64.2 30 30 A V E -ac 7 110A 0 79,-2.7 81,-2.5 -2,-0.6 2,-0.5 -0.797 21.9-172.1-107.8 139.4 60.2 -25.2 61.8 31 31 A T E -ac 8 111A 12 -24,-2.3 -22,-2.4 -2,-0.4 2,-0.5 -0.982 17.9-166.6-122.5 111.7 60.4 -21.4 61.7 32 32 A L E -ac 9 112A 0 79,-2.4 81,-3.1 -2,-0.5 2,-0.5 -0.896 2.7-159.6-106.4 127.9 58.1 -20.1 59.0 33 33 A I E +ac 10 113A 2 -24,-2.8 -22,-3.2 -2,-0.5 2,-0.4 -0.927 13.6 172.8-112.3 125.5 58.4 -16.4 57.9 34 34 A E E - c 0 114A 22 79,-2.6 81,-1.2 -2,-0.5 4,-0.1 -0.995 19.1-167.2-133.4 128.1 55.6 -14.6 56.0 35 35 A R S S+ 0 0 108 -2,-0.4 81,-0.1 79,-0.2 -1,-0.1 0.718 75.5 19.6 -86.2 -22.2 55.5 -10.9 55.2 36 36 A G S S- 0 0 36 1,-0.2 2,-0.2 79,-0.1 -2,-0.1 -0.152 111.9 -18.9-121.9-144.4 51.8 -10.8 54.2 37 37 A T S > S- 0 0 83 1,-0.1 3,-1.3 -2,-0.1 -1,-0.2 -0.454 71.2-108.7 -69.2 136.2 48.6 -12.7 54.6 38 38 A I T 3 S+ 0 0 14 1,-0.2 63,-0.1 -2,-0.2 -1,-0.1 -0.382 101.2 43.9 -63.4 139.6 49.0 -16.3 55.6 39 39 A G T 3> S- 0 0 1 -27,-0.5 4,-0.7 61,-0.1 -25,-0.2 0.185 91.2-139.7 111.3 -18.1 48.2 -18.7 52.8 40 40 A G H <> - 0 0 22 -3,-1.3 4,-0.7 -27,-0.2 5,-0.3 -0.270 52.8 -28.0 66.8-144.9 50.0 -17.0 50.0 41 41 A T H >>S+ 0 0 49 3,-0.2 4,-2.5 2,-0.1 5,-1.2 0.965 121.5 54.5 -77.0 -59.3 48.5 -16.7 46.5 42 42 A a H >5S+ 0 0 22 1,-0.2 6,-2.0 3,-0.2 4,-0.8 0.893 115.6 34.8 -48.4 -56.0 46.1 -19.6 45.7 43 43 A V H <5S+ 0 0 4 -4,-0.7 -1,-0.2 4,-0.2 53,-0.1 0.871 128.6 34.0 -72.2 -34.0 43.7 -19.4 48.7 44 44 A N H <5S- 0 0 18 -4,-0.7 -2,-0.2 -5,-0.2 -3,-0.2 0.899 140.0 -4.2 -89.1 -46.3 43.8 -15.6 49.0 45 45 A V H <5S+ 0 0 44 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.1 0.112 123.2 49.9-138.3 21.1 44.1 -14.0 45.6 46 46 A G S X S+ 0 0 43 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.870 124.1 49.8 -47.0 -53.6 42.9 -20.2 42.4 48 48 A V H > S+ 0 0 34 -6,-2.0 4,-1.9 2,-0.2 5,-0.2 0.974 115.0 37.5 -60.0 -60.8 40.1 -20.1 45.0 49 49 A P H > S+ 0 0 3 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.900 117.9 52.5 -61.3 -35.9 38.6 -16.7 44.5 50 50 A S H X S+ 0 0 10 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.919 109.2 47.3 -66.2 -42.7 39.0 -16.9 40.7 51 51 A K H X S+ 0 0 60 -4,-2.5 4,-1.9 -5,-0.3 -1,-0.2 0.859 111.7 52.1 -68.1 -31.0 37.3 -20.3 40.4 52 52 A I H X S+ 0 0 43 -4,-1.9 4,-2.2 -5,-0.2 -2,-0.2 0.946 111.1 46.6 -67.5 -45.5 34.4 -19.0 42.6 53 53 A M H X S+ 0 0 1 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.875 111.0 53.0 -63.3 -37.0 34.0 -16.0 40.4 54 54 A I H X S+ 0 0 29 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.875 108.1 50.1 -66.9 -37.1 34.1 -18.1 37.3 55 55 A R H X S+ 0 0 154 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.920 110.6 49.4 -67.7 -41.8 31.4 -20.4 38.6 56 56 A A H X S+ 0 0 21 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.918 111.1 51.0 -60.8 -41.9 29.2 -17.4 39.4 57 57 A A H X S+ 0 0 1 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.853 105.9 55.3 -63.4 -35.4 29.9 -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 0.897 108.5 47.6 -65.5 -40.6 28.9 -19.5 34.5 59 59 A I H X S+ 0 0 65 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.927 112.2 49.0 -66.5 -44.3 25.5 -19.3 36.2 60 60 A A H X S+ 0 0 4 -4,-2.3 4,-1.2 1,-0.2 -2,-0.2 0.926 112.0 50.3 -60.5 -43.8 25.0 -15.7 35.0 61 61 A H H >X S+ 0 0 15 -4,-2.6 4,-2.3 1,-0.2 3,-0.6 0.931 110.0 48.4 -60.9 -47.8 25.9 -16.8 31.5 62 62 A L H 3< S+ 0 0 84 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.752 108.6 54.1 -67.3 -22.6 23.5 -19.8 31.4 63 63 A R H 3< S+ 0 0 157 -4,-1.5 12,-2.1 -3,-0.2 -1,-0.2 0.759 112.2 46.4 -80.1 -22.0 20.7 -17.6 32.7 64 64 A R H << S- 0 0 67 -4,-1.2 2,-0.3 -3,-0.6 -2,-0.2 0.832 128.1 -9.8 -85.4 -37.5 21.4 -15.3 29.8 65 65 A E < + 0 0 77 -4,-2.3 -1,-0.3 -5,-0.1 8,-0.0 -0.996 56.4 166.2-161.9 158.3 21.6 -17.9 27.0 66 66 A S > - 0 0 40 -2,-0.3 3,-1.3 -3,-0.1 6,-0.1 -0.971 50.6 -99.9-165.5 166.5 21.8 -21.6 26.2 67 67 A P T 3 S+ 0 0 74 0, 0.0 3,-0.2 0, 0.0 320,-0.0 0.519 120.2 57.6 -72.8 -3.9 21.5 -24.0 23.3 68 68 A F T >> + 0 0 95 1,-0.1 3,-1.7 2,-0.1 4,-1.2 0.109 66.0 115.7-112.3 18.8 18.0 -24.8 24.5 69 69 A D T <4 + 0 0 63 -3,-1.3 -1,-0.1 1,-0.3 5,-0.1 0.644 63.0 73.3 -64.8 -14.3 16.6 -21.2 24.4 70 70 A G T 34 S+ 0 0 89 -3,-0.2 -1,-0.3 1,-0.2 3,-0.1 0.808 116.3 20.1 -68.8 -26.0 14.1 -22.2 21.7 71 71 A G T <4 S+ 0 0 74 -3,-1.7 2,-0.4 1,-0.2 -2,-0.2 0.442 122.0 59.0-120.9 -4.8 12.2 -24.0 24.4 72 72 A I S < S- 0 0 102 -4,-1.2 -1,-0.2 -6,-0.1 -6,-0.1 -0.963 81.1-126.8-131.2 115.7 13.4 -22.4 27.7 73 73 A A - 0 0 98 -2,-0.4 2,-0.3 -3,-0.1 -3,-0.1 -0.237 25.8-159.3 -59.3 146.4 13.0 -18.7 28.2 74 74 A A - 0 0 45 -5,-0.1 2,-0.3 -10,-0.1 -10,-0.2 -0.853 7.2-169.3-124.6 160.9 16.1 -16.7 29.2 75 75 A T - 0 0 96 -12,-2.1 -10,-0.0 -2,-0.3 0, 0.0 -0.953 34.2-104.0-146.2 163.5 16.5 -13.4 30.9 76 76 A V - 0 0 121 -2,-0.3 2,-0.2 -12,-0.0 -12,-0.1 -0.830 47.2-140.1 -89.9 108.7 19.3 -10.8 31.6 77 77 A P - 0 0 25 0, 0.0 2,-0.3 0, 0.0 -13,-0.0 -0.487 9.6-120.3 -74.8 140.0 19.9 -11.5 35.3 78 78 A T - 0 0 145 -2,-0.2 2,-0.5 2,-0.0 0, 0.0 -0.605 30.4-148.4 -75.6 137.3 20.5 -8.6 37.7 79 79 A I - 0 0 55 -2,-0.3 2,-0.8 119,-0.1 96,-0.1 -0.943 16.4-167.2-115.8 127.7 23.9 -9.0 39.3 80 80 A D > - 0 0 87 -2,-0.5 4,-1.8 1,-0.2 3,-0.4 -0.856 8.0-178.5-110.5 92.3 24.8 -7.8 42.8 81 81 A R H > S+ 0 0 11 -2,-0.8 4,-3.0 1,-0.2 5,-0.2 0.784 78.4 62.8 -63.4 -27.7 28.6 -8.0 42.8 82 82 A S H > S+ 0 0 67 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.925 107.3 43.6 -63.4 -42.7 28.7 -6.8 46.5 83 83 A K H > S+ 0 0 148 -3,-0.4 4,-1.9 2,-0.2 -2,-0.2 0.885 114.7 49.1 -69.7 -38.8 26.8 -9.9 47.5 84 84 A L H X S+ 0 0 42 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.919 111.4 50.2 -66.8 -41.1 28.9 -12.2 45.3 85 85 A L H X S+ 0 0 27 -4,-3.0 4,-3.2 1,-0.2 5,-0.2 0.910 109.0 51.6 -63.0 -42.1 32.1 -10.7 46.6 86 86 A A H X S+ 0 0 58 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.906 112.0 46.2 -61.6 -42.3 31.0 -11.2 50.2 87 87 A Q H X S+ 0 0 130 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.922 114.2 48.8 -64.8 -44.3 30.2 -14.9 49.5 88 88 A Q H X S+ 0 0 4 -4,-2.5 4,-2.0 1,-0.2 3,-0.2 0.941 112.4 46.9 -59.9 -52.0 33.5 -15.3 47.7 89 89 A Q H X S+ 0 0 67 -4,-3.2 4,-2.8 1,-0.2 -1,-0.2 0.837 106.9 58.0 -62.4 -35.1 35.5 -13.7 50.5 90 90 A A H X S+ 0 0 58 -4,-1.9 4,-2.1 -5,-0.2 -1,-0.2 0.895 108.7 45.1 -64.5 -38.5 33.8 -15.7 53.2 91 91 A R H X S+ 0 0 139 -4,-1.6 4,-2.6 -3,-0.2 5,-0.2 0.903 112.7 51.7 -71.1 -40.1 34.9 -19.0 51.6 92 92 A V H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.944 112.4 45.6 -59.4 -48.0 38.4 -17.7 51.1 93 93 A D H X S+ 0 0 67 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.890 112.3 52.2 -63.3 -39.5 38.6 -16.6 54.7 94 94 A E H X S+ 0 0 102 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.922 112.4 44.0 -62.6 -46.7 37.1 -20.0 55.8 95 95 A L H X S+ 0 0 56 -4,-2.6 4,-2.7 2,-0.2 5,-0.3 0.833 107.6 59.2 -69.6 -33.0 39.7 -22.0 53.8 96 96 A R H X>S+ 0 0 38 -4,-2.2 5,-2.3 -5,-0.2 4,-1.0 0.916 112.4 40.5 -62.4 -41.1 42.6 -19.8 54.9 97 97 A H H <>S+ 0 0 114 -4,-1.7 5,-3.3 3,-0.2 6,-0.3 0.947 118.1 46.0 -71.8 -47.7 41.8 -20.7 58.5 98 98 A A H <5S+ 0 0 49 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.880 125.4 27.0 -63.9 -42.8 41.0 -24.4 57.9 99 99 A K H <5S+ 0 0 131 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.476 137.4 13.9-103.0 -3.0 44.0 -25.3 55.7 100 100 A Y T X5S+ 0 0 29 -4,-1.0 4,-2.4 -5,-0.3 3,-0.5 0.535 123.9 36.7-131.5 -72.8 46.6 -22.8 56.8 101 101 A E H >< S+ 0 0 6 -4,-2.4 3,-0.7 2,-0.1 -2,-0.2 0.854 105.1 74.3 -74.1 -35.2 50.2 -23.8 61.6 105 105 A G T 3< S+ 0 0 43 -4,-2.3 6,-0.1 -5,-0.3 0, 0.0 -0.413 90.8 27.9 -80.9 155.4 49.0 -22.5 65.0 106 106 A G T 3 S+ 0 0 90 1,-0.2 -1,-0.2 -2,-0.1 -2,-0.1 0.631 87.8 119.6 74.0 13.5 48.9 -24.5 68.2 107 107 A N X - 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