==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 17-JAN-10 2KT2 . COMPND 2 MOLECULE: MERCURIC REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR R.LEDWIDGE,F.DANACEA,V.DOTSCH,S.M.MILLER . 69 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3989.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 51 73.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 21.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 1.4 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 . 10 14.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 26.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 2.9 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 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 0 1 1 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 0 160 0, 0.0 2,-2.0 0, 0.0 68,-0.0 0.000 360.0 360.0 360.0 -56.6 1.4 1.7 -2.3 2 2 A T + 0 0 34 66,-0.1 2,-0.4 42,-0.1 40,-0.4 -0.500 360.0 133.0 -81.4 78.0 -1.2 -0.7 -3.7 3 3 A H - 0 0 24 -2,-2.0 64,-0.3 38,-0.2 2,-0.3 -0.987 34.0-164.3-125.0 143.2 -4.5 0.9 -2.5 4 4 A L E -A 40 0A 1 36,-2.4 36,-3.3 -2,-0.4 2,-0.4 -0.913 12.1-135.6-126.3 149.9 -7.5 1.5 -4.7 5 5 A K E -AB 39 65A 91 60,-2.2 60,-2.4 -2,-0.3 2,-0.4 -0.894 13.7-136.0-111.3 135.6 -10.5 3.7 -4.1 6 6 A I E + B 0 64A 18 32,-2.9 2,-0.3 -2,-0.4 58,-0.2 -0.731 32.7 162.6 -91.8 131.9 -14.1 2.7 -4.7 7 7 A T E + B 0 63A 40 56,-2.4 56,-1.7 -2,-0.4 2,-1.6 -0.929 51.1 31.8-142.2 164.7 -16.4 5.1 -6.5 8 8 A G S S+ 0 0 75 -2,-0.3 56,-0.1 1,-0.2 -2,-0.0 -0.220 110.0 66.5 82.7 -49.1 -19.7 5.1 -8.3 9 9 A M S S- 0 0 37 -2,-1.6 -1,-0.2 54,-0.3 53,-0.0 0.006 80.3-128.8 -85.5-164.8 -21.0 2.3 -6.1 10 10 A T - 0 0 117 1,-0.3 2,-0.3 -3,-0.1 -1,-0.1 0.698 49.5 -87.9-110.9 -73.2 -21.8 2.3 -2.4 11 11 A C S > S+ 0 0 37 26,-0.0 3,-2.5 25,-0.0 2,-0.6 -0.968 83.3 36.6-179.8-174.8 -20.1 -0.6 -0.6 12 12 A D T 3> S+ 0 0 95 1,-0.3 4,-1.8 -2,-0.3 21,-0.1 -0.236 122.3 31.9 54.5 -96.9 -20.2 -4.2 0.6 13 13 A S H 3> S+ 0 0 89 -2,-0.6 4,-1.1 1,-0.3 -1,-0.3 0.820 123.1 52.7 -61.3 -29.0 -22.0 -6.0 -2.3 14 14 A C H <> S+ 0 0 31 -3,-2.5 4,-1.4 1,-0.2 -1,-0.3 0.903 108.6 48.7 -68.6 -41.4 -20.3 -3.5 -4.6 15 15 A A H > S+ 0 0 9 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.760 102.0 66.2 -70.5 -23.8 -16.9 -4.3 -3.1 16 16 A A H X S+ 0 0 54 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.922 104.2 41.7 -64.8 -45.5 -17.7 -8.0 -3.6 17 17 A H H X S+ 0 0 70 -4,-1.1 4,-2.9 -3,-0.2 -1,-0.2 0.834 113.1 55.2 -71.9 -33.1 -17.6 -7.7 -7.3 18 18 A V H X S+ 0 0 2 -4,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.949 111.2 43.6 -61.1 -48.7 -14.6 -5.5 -7.2 19 19 A K H X S+ 0 0 82 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.883 114.6 51.2 -63.4 -38.7 -12.8 -8.1 -5.1 20 20 A E H X S+ 0 0 79 -4,-2.3 4,-1.1 2,-0.2 -2,-0.2 0.913 109.9 48.1 -65.0 -43.2 -14.1 -10.8 -7.5 21 21 A A H X S+ 0 0 14 -4,-2.9 4,-0.5 2,-0.2 -1,-0.2 0.841 111.7 51.7 -66.3 -33.6 -12.9 -8.8 -10.6 22 22 A L H >< S+ 0 0 3 -4,-2.0 3,-1.0 1,-0.2 6,-0.4 0.919 111.3 45.5 -66.4 -45.3 -9.5 -8.4 -8.8 23 23 A E H 3< S+ 0 0 95 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.615 102.1 66.7 -75.8 -13.2 -9.3 -12.1 -8.2 24 24 A K H 3< S+ 0 0 135 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.701 88.5 80.8 -74.5 -21.7 -10.3 -12.7 -11.8 25 25 A V S X< S- 0 0 40 -3,-1.0 3,-2.0 -4,-0.5 23,-0.0 -0.791 79.8-146.0 -86.1 120.3 -7.0 -11.1 -12.6 26 26 A P T 3 S+ 0 0 135 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.377 93.0 71.6 -70.5 5.9 -4.2 -13.7 -12.2 27 27 A G T 3 S+ 0 0 8 -5,-0.2 18,-3.6 20,-0.1 21,-0.3 0.499 75.7 104.2 -96.4 -6.2 -1.9 -10.9 -11.0 28 28 A V E < +C 44 0A 30 -3,-2.0 16,-0.3 -6,-0.4 3,-0.1 -0.471 38.6 173.5 -78.3 144.6 -3.6 -10.6 -7.7 29 29 A Q E S- 0 0 134 14,-3.4 2,-0.3 -2,-0.2 15,-0.2 0.700 76.0 -5.2-111.1 -50.6 -2.1 -12.1 -4.5 30 30 A S E -C 43 0A 58 13,-1.9 13,-3.0 2,-0.0 2,-0.8 -0.783 62.5-171.4-154.6 98.6 -4.4 -10.9 -1.8 31 31 A A E +C 42 0A 7 11,-0.3 2,-0.6 -2,-0.3 11,-0.3 -0.836 10.8 171.2 -98.8 105.7 -7.3 -8.5 -2.5 32 32 A L E -C 41 0A 85 9,-1.6 9,-3.0 -2,-0.8 2,-0.4 -0.939 14.2-162.2-116.5 109.9 -8.9 -7.3 0.7 33 33 A V E -C 40 0A 34 -2,-0.6 2,-0.9 7,-0.3 7,-0.3 -0.753 12.1-143.4 -94.2 134.8 -11.5 -4.5 0.2 34 34 A S E >>> -C 39 0A 34 5,-2.9 4,-2.2 -2,-0.4 5,-1.6 -0.814 16.5-177.1 -99.0 95.8 -12.6 -2.3 3.1 35 35 A Y T 345S+ 0 0 120 -2,-0.9 -1,-0.2 1,-0.2 5,-0.0 0.890 83.0 51.6 -59.7 -43.7 -16.2 -1.6 2.5 36 36 A P T 345S+ 0 0 106 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.586 116.7 43.6 -72.0 -7.4 -16.7 0.7 5.5 37 37 A K T <45S- 0 0 151 -3,-1.0 -2,-0.2 2,-0.2 3,-0.1 0.717 101.3-131.5-103.0 -32.4 -13.6 2.6 4.2 38 38 A G T <5S+ 0 0 19 -4,-2.2 -32,-2.9 1,-0.4 2,-0.3 0.679 73.7 104.3 82.4 20.2 -14.5 2.8 0.5 39 39 A T E < -AC 5 34A 13 -5,-1.6 -5,-2.9 -34,-0.2 2,-0.4 -0.880 61.8-137.8-132.3 159.9 -11.0 1.6 -0.2 40 40 A A E -AC 4 33A 0 -36,-3.3 -36,-2.4 -2,-0.3 2,-0.7 -0.978 1.9-159.9-123.2 133.7 -9.3 -1.6 -1.3 41 41 A Q E + C 0 32A 81 -9,-3.0 -9,-1.6 -2,-0.4 2,-0.5 -0.710 28.6 170.5-108.1 77.3 -6.1 -3.1 -0.0 42 42 A L E - C 0 31A 1 -2,-0.7 2,-0.5 -40,-0.4 -11,-0.3 -0.790 21.7-154.5 -97.5 122.8 -5.2 -5.4 -2.9 43 43 A A E + C 0 30A 30 -13,-3.0 -14,-3.4 -2,-0.5 -13,-1.9 -0.827 21.3 179.9 -92.4 132.9 -1.8 -7.0 -3.0 44 44 A I E - C 0 28A 32 -2,-0.5 -16,-0.3 -16,-0.3 -42,-0.1 -0.882 31.1 -97.6-132.4 162.1 -0.6 -8.0 -6.5 45 45 A V > - 0 0 57 -18,-3.6 2,-3.1 -2,-0.3 3,-1.5 -0.443 48.5 -98.0 -74.2 150.0 2.4 -9.6 -8.1 46 46 A P T 3 S+ 0 0 140 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.340 115.9 62.1 -67.4 62.9 5.1 -7.3 -9.7 47 47 A G T 3 S+ 0 0 65 -2,-3.1 -20,-0.1 -20,-0.2 2,-0.0 0.343 84.4 77.2-154.2 -34.6 3.6 -7.7 -13.1 48 48 A T S < S- 0 0 38 -3,-1.5 -1,-0.1 -21,-0.3 -4,-0.1 -0.236 72.2-130.7 -74.9 172.3 0.1 -6.3 -12.9 49 49 A S >> - 0 0 45 1,-0.1 4,-1.4 -3,-0.1 3,-0.7 -0.996 5.6-143.6-133.0 134.7 -0.6 -2.6 -12.9 50 50 A P H 3> S+ 0 0 36 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.804 105.6 55.7 -66.5 -27.8 -2.8 -0.6 -10.5 51 51 A D H 3> S+ 0 0 115 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.754 104.7 55.4 -73.1 -22.7 -4.0 1.7 -13.2 52 52 A A H <> S+ 0 0 39 -3,-0.7 4,-1.9 2,-0.2 -1,-0.2 0.865 109.4 44.2 -77.7 -37.2 -5.1 -1.4 -15.0 53 53 A L H X S+ 0 0 4 -4,-1.4 4,-2.8 2,-0.2 5,-0.2 0.892 113.5 51.5 -72.4 -41.2 -7.2 -2.6 -12.1 54 54 A T H X S+ 0 0 23 -4,-2.4 4,-2.8 2,-0.2 10,-0.3 0.942 113.6 43.9 -57.9 -48.5 -8.6 0.9 -11.8 55 55 A A H X S+ 0 0 60 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.849 111.0 56.5 -65.8 -34.6 -9.4 1.0 -15.5 56 56 A A H < S+ 0 0 42 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.940 112.2 40.3 -61.4 -47.9 -10.8 -2.5 -15.1 57 57 A V H ><>S+ 0 0 4 -4,-2.8 5,-1.4 1,-0.2 3,-1.4 0.910 116.6 50.0 -68.0 -41.9 -13.2 -1.4 -12.4 58 58 A A H ><5S+ 0 0 42 -4,-2.8 3,-0.8 1,-0.3 -1,-0.2 0.823 111.1 50.2 -65.0 -30.9 -14.0 1.8 -14.2 59 59 A G T 3<5S+ 0 0 68 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.332 96.3 71.9 -89.9 7.2 -14.7 -0.2 -17.3 60 60 A L T < 5S- 0 0 72 -3,-1.4 -1,-0.2 2,-0.1 -2,-0.2 0.239 126.4 -91.2-101.7 10.5 -17.0 -2.5 -15.5 61 61 A G T < 5S+ 0 0 75 -3,-0.8 -3,-0.1 1,-0.4 -2,-0.1 0.323 105.3 87.1 95.8 -6.8 -19.6 0.1 -15.2 62 62 A Y S