==== 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 2KT3 . COMPND 2 MOLECULE: MERCURIC REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR S.M.MILLER,R.LEDWIDGE,F.DANACEA,V.DOTSCH . 69 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4096.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 50 72.5 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 . 11 15.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 17 24.6 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 0 2 0 0 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 0 148 0, 0.0 2,-0.4 0, 0.0 67,-0.2 0.000 360.0 360.0 360.0 -55.3 2.2 -0.3 -0.7 2 2 A T + 0 0 22 40,-0.1 40,-1.8 66,-0.1 2,-0.5 -0.424 360.0 115.2-110.5 56.5 -0.7 -0.2 -3.1 3 3 A H E -A 41 0A 54 -2,-0.4 64,-0.4 38,-0.2 38,-0.2 -0.967 45.6-166.6-124.9 114.7 -3.3 1.9 -1.3 4 4 A L E -A 40 0A 1 36,-2.2 36,-3.3 -2,-0.5 2,-0.5 -0.521 17.4-122.4-100.2 165.0 -4.1 5.2 -3.0 5 5 A K E -AB 39 65A 78 60,-2.7 60,-2.3 34,-0.2 2,-0.3 -0.918 20.3-139.5-109.6 131.2 -5.9 8.3 -1.9 6 6 A I E + B 0 64A 12 32,-2.7 58,-0.3 -2,-0.5 3,-0.1 -0.704 32.0 157.6 -90.7 141.2 -8.9 9.6 -3.7 7 7 A T + 0 0 87 56,-3.5 2,-2.5 -2,-0.3 3,-0.2 0.578 58.6 78.6-129.6 -39.1 -9.3 13.3 -4.3 8 8 A G S S- 0 0 21 55,-2.8 55,-0.2 1,-0.2 -1,-0.1 -0.448 124.8 -32.8 -77.3 66.1 -11.6 13.7 -7.3 9 9 A M - 0 0 122 -2,-2.5 -1,-0.2 53,-0.1 -2,-0.2 0.789 59.9-170.8 85.4 111.7 -14.7 13.0 -5.2 10 10 A T + 0 0 50 -3,-0.2 28,-0.2 -4,-0.1 27,-0.2 0.587 45.8 115.3-106.7 -17.2 -14.5 10.6 -2.2 11 11 A C S >> S- 0 0 73 1,-0.2 2,-2.2 25,-0.1 4,-1.8 0.054 85.8 -76.6 -56.4 167.3 -18.2 10.2 -1.3 12 12 A D T 34 S+ 0 0 94 1,-0.2 -1,-0.2 2,-0.2 4,-0.1 -0.435 121.0 48.9 -73.4 78.3 -20.1 6.9 -1.5 13 13 A S T 3> S+ 0 0 83 -2,-2.2 4,-2.3 -3,-0.1 3,-0.5 -0.071 111.1 40.2-169.7 -59.4 -20.6 6.8 -5.3 14 14 A C H <> S+ 0 0 13 -3,-0.6 4,-2.5 1,-0.3 2,-2.1 0.911 109.7 63.5 -67.3 -42.7 -17.3 7.4 -7.0 15 15 A A H < S+ 0 0 1 -4,-1.8 -1,-0.3 1,-0.2 20,-0.2 -0.210 113.1 36.2 -75.2 48.6 -15.7 5.3 -4.3 16 16 A A H > S+ 0 0 27 -2,-2.1 4,-2.3 -3,-0.5 -2,-0.2 0.182 112.7 50.7-163.2 -50.0 -17.8 2.4 -5.8 17 17 A H H X S+ 0 0 107 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.835 111.5 53.5 -67.9 -32.5 -17.9 2.9 -9.5 18 18 A V H X S+ 0 0 2 -4,-2.5 4,-2.7 -5,-0.2 -1,-0.2 0.900 107.8 50.2 -65.1 -40.5 -14.2 3.3 -9.3 19 19 A K H > S+ 0 0 76 -5,-0.4 4,-3.4 2,-0.2 5,-0.2 0.911 110.4 50.1 -62.3 -43.0 -14.1 -0.1 -7.5 20 20 A E H X S+ 0 0 108 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.962 113.0 44.6 -59.4 -53.6 -16.3 -1.5 -10.3 21 21 A A H < S+ 0 0 26 -4,-2.9 4,-0.4 2,-0.2 -2,-0.2 0.879 115.7 49.7 -57.9 -39.7 -14.0 -0.2 -13.0 22 22 A L H >< S+ 0 0 2 -4,-2.7 3,-1.9 1,-0.2 -2,-0.2 0.953 110.7 46.6 -65.4 -51.8 -11.0 -1.4 -11.0 23 23 A E H 3< S+ 0 0 71 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.717 105.2 63.2 -65.1 -20.6 -12.4 -4.9 -10.4 24 24 A K T 3< S+ 0 0 184 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.646 87.1 89.5 -74.9 -16.4 -13.2 -4.9 -14.2 25 25 A V S X S- 0 0 52 -3,-1.9 3,-1.5 -4,-0.4 2,-0.2 -0.724 88.0-119.5 -83.7 124.6 -9.5 -4.7 -14.7 26 26 A P T 3 S+ 0 0 115 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.439 99.3 41.2 -64.8 134.0 -7.8 -8.1 -15.0 27 27 A G T 3 S+ 0 0 24 1,-0.4 18,-3.0 -2,-0.2 2,-0.5 0.221 89.2 112.4 107.9 -11.4 -5.2 -8.6 -12.3 28 28 A V E < +C 44 0A 16 -3,-1.5 -1,-0.4 16,-0.2 16,-0.2 -0.832 37.1 175.2 -95.3 127.5 -7.4 -7.0 -9.7 29 29 A Q E S- 0 0 119 14,-2.7 2,-0.3 -2,-0.5 15,-0.2 0.837 70.7 -7.1 -95.0 -45.9 -8.7 -9.2 -7.0 30 30 A S E -C 43 0A 55 13,-1.4 13,-3.6 -8,-0.0 2,-0.8 -0.967 49.2-152.3-154.9 134.3 -10.4 -6.6 -4.8 31 31 A A E -C 42 0A 3 -2,-0.3 2,-2.0 11,-0.2 11,-0.2 -0.814 17.5-166.3-106.5 90.0 -10.7 -2.9 -4.7 32 32 A L E +C 41 0A 103 9,-2.6 9,-2.6 -2,-0.8 2,-0.3 -0.524 16.2 176.5 -80.9 78.7 -11.3 -2.1 -1.0 33 33 A V E -C 40 0A 23 -2,-2.0 2,-0.5 7,-0.3 7,-0.2 -0.645 16.1-159.9 -84.4 139.4 -12.4 1.5 -1.3 34 34 A S E >>> -C 39 0A 29 5,-3.0 4,-2.8 -2,-0.3 5,-1.4 -0.940 7.7-171.9-124.1 109.2 -13.5 3.4 1.8 35 35 A Y T 345S+ 0 0 101 -2,-0.5 -1,-0.1 1,-0.2 -19,-0.0 0.905 84.8 57.1 -67.9 -44.2 -15.6 6.5 1.2 36 36 A P T 345S+ 0 0 113 0, 0.0 -1,-0.2 0, 0.0 -25,-0.1 0.353 122.5 30.3 -71.1 10.8 -15.6 7.8 4.9 37 37 A K T <45S- 0 0 174 -3,-1.0 -2,-0.2 -27,-0.2 3,-0.1 0.510 99.9-129.1-134.4 -32.9 -11.8 7.8 4.7 38 38 A G T <5 + 0 0 7 -4,-2.8 -32,-2.7 1,-0.3 2,-0.4 0.751 61.5 134.1 84.5 26.6 -11.1 8.5 1.0 39 39 A T E < -AC 5 34A 26 -5,-1.4 -5,-3.0 -34,-0.2 2,-0.6 -0.880 44.8-155.7-116.6 140.1 -8.8 5.6 0.7 40 40 A A E -AC 4 33A 0 -36,-3.3 -36,-2.2 -2,-0.4 2,-1.0 -0.903 6.9-167.5-115.5 102.1 -8.5 2.9 -2.0 41 41 A Q E -AC 3 32A 93 -9,-2.6 -9,-2.6 -2,-0.6 2,-0.6 -0.768 14.2-161.4 -90.2 99.9 -6.9 -0.3 -0.8 42 42 A L E - C 0 31A 11 -40,-1.8 2,-1.2 -2,-1.0 -11,-0.2 -0.736 14.7-162.5 -92.4 119.1 -6.2 -2.2 -4.0 43 43 A A E + C 0 30A 40 -13,-3.6 -14,-2.7 -2,-0.6 -13,-1.4 -0.719 35.6 156.5 -95.4 79.6 -5.6 -5.9 -3.8 44 44 A I E - C 0 28A 21 -2,-1.2 -16,-0.2 -16,-0.2 -42,-0.1 -0.588 49.6 -93.3-101.3 164.8 -4.0 -6.4 -7.2 45 45 A V > - 0 0 60 -18,-3.0 3,-2.1 -2,-0.2 -1,-0.0 -0.657 51.3-100.7 -75.3 129.5 -1.6 -9.0 -8.6 46 46 A P T 3 S+ 0 0 115 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.282 110.9 48.5 -48.4 131.3 2.1 -8.0 -8.2 47 47 A G T 3 S+ 0 0 80 1,-0.4 2,-0.6 -3,-0.0 -2,-0.0 -0.145 80.1 109.6 119.3 -36.7 3.2 -6.7 -11.6 48 48 A T S < S- 0 0 40 -3,-2.1 -1,-0.4 -21,-0.1 -4,-0.1 -0.650 76.7-121.3 -73.8 115.4 0.3 -4.4 -12.1 49 49 A S >> - 0 0 66 -2,-0.6 4,-1.3 1,-0.1 3,-0.8 -0.365 8.3-143.7 -64.3 129.3 1.7 -0.9 -11.8 50 50 A P H 3> S+ 0 0 36 0, 0.0 4,-2.5 0, 0.0 3,-0.2 0.878 104.0 55.9 -59.1 -37.9 0.0 1.2 -9.0 51 51 A D H 3> S+ 0 0 125 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.749 102.4 58.6 -66.3 -21.3 0.4 4.3 -11.2 52 52 A A H <> S+ 0 0 46 -3,-0.8 4,-1.8 2,-0.2 -1,-0.2 0.880 107.8 43.3 -76.2 -38.1 -1.6 2.4 -13.8 53 53 A L H X S+ 0 0 3 -4,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.903 114.3 50.6 -72.2 -41.8 -4.5 1.8 -11.5 54 54 A T H X S+ 0 0 12 -4,-2.5 4,-2.6 1,-0.2 10,-0.3 0.900 111.0 49.7 -59.1 -41.0 -4.3 5.4 -10.4 55 55 A A H X S+ 0 0 52 -4,-2.0 4,-3.3 2,-0.2 -2,-0.2 0.862 107.3 54.4 -65.9 -36.6 -4.2 6.4 -14.1 56 56 A A H X S+ 0 0 36 -4,-1.8 4,-0.7 2,-0.2 -2,-0.2 0.889 110.9 45.3 -63.6 -39.3 -7.3 4.2 -14.6 57 57 A V H <>S+ 0 0 2 -4,-2.2 5,-1.7 2,-0.2 -2,-0.2 0.885 113.7 49.6 -69.6 -39.8 -9.0 6.1 -11.9 58 58 A A H ><5S+ 0 0 49 -4,-2.6 3,-1.4 1,-0.2 -2,-0.2 0.910 111.9 47.7 -64.1 -42.5 -7.8 9.4 -13.4 59 59 A G H 3<5S+ 0 0 67 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.667 99.0 69.9 -71.8 -17.1 -9.0 8.3 -16.8 60 60 A L T 3<5S- 0 0 78 -4,-0.7 -1,-0.3 -5,-0.2 -2,-0.2 0.523 125.0-102.0 -74.8 -6.0 -12.3 7.3 -15.1 61 61 A G T < 5S+ 0 0 70 -3,-1.4 -3,-0.2 1,-0.4 2,-0.1 0.332 93.9 97.7 102.1 -6.0 -12.8 11.1 -14.7 62 62 A Y < - 0 0 64 -5,-1.7 -1,-0.4 -48,-0.1 2,-0.4 -0.413 70.0-119.1-103.8-178.9 -11.8 11.1 -11.0 63 63 A K + 0 0 126 -55,-0.2 -56,-3.5 -2,-0.1 -55,-2.8 -0.990 34.8 158.2-130.4 128.4 -8.6 12.0 -9.3 64 64 A A E -B 6 0A 7 -2,-0.4 2,-0.4 -10,-0.3 -58,-0.2 -0.911 22.1-148.3-137.5 164.9 -6.5 9.8 -7.2 65 65 A T E -B 5 0A 69 -60,-2.3 -60,-2.7 -2,-0.3 2,-1.2 -0.996 23.5-120.9-139.6 133.7 -2.8 9.6 -6.1 66 66 A L + 0 0 74 -2,-0.4 2,-0.3 -62,-0.2 -62,-0.2 -0.613 56.3 144.7 -70.8 98.1 -0.6 6.7 -5.2 67 67 A A - 0 0 27 -2,-1.2 -2,-0.1 -64,-0.4 -65,-0.1 -0.846 35.8-168.8-144.5 101.3 0.3 7.6 -1.7 68 68 A D 0 0 81 -2,-0.3 -64,-0.1 -67,-0.2 -66,-0.1 0.386 360.0 360.0 -73.9 4.9 0.7 4.9 0.8 69 69 A A 0 0 124 -66,-0.1 -64,-0.1 -64,-0.0 -66,-0.0 -0.971 360.0 360.0-157.2 360.0 0.7 7.5 3.5