==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 13-MAY-05 1ZOF . COMPND 2 MOLECULE: ALKYL HYDROPEROXIDE-REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HELICOBACTER PYLORI; . AUTHOR E.PAPINUTTO,H.J.WINDLE,L.CENDRON,R.BATTISTUTTA,D.KELLEHER, . 1725 10 6 0 6 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 65745.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1264 73.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 110 6.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 312 18.1 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 . 30 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 0.6 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 . 166 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 205 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 361 20.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 30 1.7 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 0 8 7 5 5 5 0 0 0 0 0 5 7 3 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 10 0 0 10 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 . 10 20 0 13 12 5 5 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 . 10 0 0 0 0 0 0 0 0 0 0 0 0 5 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 59 0, 0.0 285,-0.1 0, 0.0 284,-0.1 0.000 360.0 360.0 360.0 166.3 40.2 12.7 18.4 2 2 A V > + 0 0 31 111,-0.1 3,-1.3 112,-0.1 133,-0.4 0.817 360.0 84.4-101.5 -49.3 38.1 15.5 17.2 3 3 A V T 3 S+ 0 0 3 1,-0.2 133,-0.2 131,-0.1 3,-0.1 -0.211 91.4 26.2 -59.5 147.2 37.8 14.8 13.5 4 4 A T T 3 S+ 0 0 29 131,-3.6 2,-0.3 1,-0.3 -1,-0.2 0.462 109.1 94.2 76.7 6.7 35.1 12.4 12.2 5 5 A K S < S- 0 0 100 -3,-1.3 130,-2.8 130,-0.3 -1,-0.3 -0.824 91.0 -78.5-124.9 165.1 33.0 13.2 15.3 6 6 A L B -A 134 0A 111 -2,-0.3 128,-0.3 128,-0.2 127,-0.1 -0.406 53.6-110.9 -61.8 127.4 30.3 15.6 16.1 7 7 A A - 0 0 0 126,-3.2 -1,-0.1 -2,-0.2 2,-0.1 -0.456 39.3-106.7 -62.4 122.3 31.7 19.1 16.7 8 8 A P - 0 0 33 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.306 39.0-134.4 -51.9 116.8 31.3 19.8 20.4 9 9 A D - 0 0 63 -2,-0.1 2,-0.2 18,-0.1 17,-0.1 -0.560 28.1-177.7 -81.2 144.9 28.5 22.3 20.6 10 10 A F - 0 0 15 -2,-0.2 17,-1.2 2,-0.0 18,-0.3 -0.745 21.3-154.6-131.2 178.0 28.8 25.4 22.8 11 11 A K E +B 26 0A 117 15,-0.2 15,-0.2 -2,-0.2 14,-0.0 -0.758 36.4 132.0-158.8 105.0 26.9 28.4 23.9 12 12 A A E -B 25 0A 15 13,-1.9 13,-1.7 -2,-0.2 92,-0.1 -0.944 58.2 -64.8-152.4 170.5 28.7 31.6 25.1 13 13 A P E - 0 0 30 0, 0.0 90,-3.2 0, 0.0 2,-0.3 -0.339 54.7-179.1 -60.3 139.5 29.1 35.4 24.9 14 14 A A E -BC 22 102A 0 8,-3.1 8,-2.0 88,-0.3 2,-0.8 -0.989 30.4-135.8-143.3 149.2 30.2 36.5 21.5 15 15 A V E -BC 21 101A 1 86,-2.6 86,-0.8 -2,-0.3 4,-0.2 -0.813 30.6-145.9-110.5 90.2 31.0 39.8 19.8 16 16 A L > - 0 0 33 4,-1.4 3,-1.5 -2,-0.8 83,-0.1 0.006 30.9 -98.4 -49.0 154.7 29.4 39.7 16.4 17 17 A G T 3 S+ 0 0 20 81,-0.5 82,-0.1 1,-0.3 80,-0.1 0.786 125.3 58.3 -48.9 -30.8 31.1 41.4 13.5 18 18 A N T 3 S- 0 0 117 80,-0.1 -1,-0.3 2,-0.1 -2,-0.1 -0.130 118.9-109.7 -93.5 36.0 28.8 44.4 14.1 19 19 A N S < S+ 0 0 38 -3,-1.5 2,-0.2 78,-0.3 -2,-0.1 0.574 75.7 139.1 46.3 13.0 30.0 44.8 17.7 20 20 A E - 0 0 106 -4,-0.1 -4,-1.4 1,-0.0 2,-0.7 -0.606 51.9-131.7 -78.5 148.7 26.6 43.6 18.9 21 21 A V E -B 15 0A 51 -2,-0.2 2,-0.4 -6,-0.2 -6,-0.2 -0.875 17.1-162.7-111.2 107.8 27.1 41.3 21.8 22 22 A D E -B 14 0A 54 -8,-2.0 -8,-3.1 -2,-0.7 3,-0.3 -0.697 3.1-164.8 -85.9 135.7 25.3 38.0 21.8 23 23 A E E S+ 0 0 96 -2,-0.4 -1,-0.1 -10,-0.3 -8,-0.0 0.793 83.7 34.1 -88.6 -32.5 25.1 36.3 25.2 24 24 A H E S+ 0 0 120 -10,-0.1 2,-0.6 -11,-0.1 -1,-0.2 -0.359 71.5 170.1-123.7 54.5 24.1 32.9 24.2 25 25 A F E -B 12 0A 0 -13,-1.7 -13,-1.9 -3,-0.3 2,-0.5 -0.520 17.3-161.0 -67.8 111.9 25.9 32.2 20.9 26 26 A E E >> -B 11 0A 46 -2,-0.6 3,-1.8 -15,-0.2 4,-1.6 -0.861 16.1-150.4 -99.6 126.6 25.4 28.5 20.1 27 27 A L T 34 S+ 0 0 0 -17,-1.2 -1,-0.2 -2,-0.5 -16,-0.1 0.967 96.9 64.6 -54.1 -54.0 27.7 27.0 17.6 28 28 A S T 34 S+ 0 0 39 -18,-0.3 -1,-0.3 1,-0.2 3,-0.1 0.466 110.4 39.7 -49.7 -3.3 25.0 24.5 16.6 29 29 A K T <4 S+ 0 0 128 -3,-1.8 2,-2.9 1,-0.1 -2,-0.2 0.762 102.7 59.7-110.2 -64.4 23.0 27.5 15.3 30 30 A N S < S+ 0 0 49 -4,-1.6 -2,-0.1 6,-0.0 -3,-0.1 -0.003 76.6 139.3 -62.7 37.5 25.3 30.0 13.6 31 31 A L - 0 0 36 -2,-2.9 5,-0.2 1,-0.1 39,-0.1 -0.205 51.5-120.0 -75.8 173.4 26.4 27.4 11.0 32 32 A G - 0 0 18 3,-0.9 36,-0.2 37,-0.2 -1,-0.1 0.056 39.2 -90.5 -91.8-151.7 26.8 28.2 7.4 33 33 A K S S+ 0 0 115 34,-1.2 35,-0.2 31,-0.2 34,-0.1 0.779 129.1 24.2 -93.8 -29.7 24.9 26.5 4.6 34 34 A N S S- 0 0 51 33,-2.9 97,-1.4 1,-0.4 2,-0.3 0.431 130.1 -83.2-109.0 -6.9 27.5 23.8 4.2 35 35 A G E -dE 68 130A 0 32,-1.0 34,-1.4 95,-0.3 -3,-0.9 -0.952 51.5 -78.4 138.3-156.2 29.0 24.1 7.7 36 36 A V E -dE 69 129A 0 93,-2.8 93,-3.6 -2,-0.3 2,-0.5 -0.910 12.5-130.2-144.8 170.1 31.5 26.3 9.5 37 37 A I E -dE 70 128A 0 32,-1.7 34,-1.7 -2,-0.3 2,-0.4 -0.937 27.7-170.3-123.8 100.6 35.1 27.1 10.1 38 38 A L E +dE 71 127A 0 89,-2.2 89,-3.4 -2,-0.5 2,-0.3 -0.791 13.1 180.0 -91.9 133.1 35.7 27.4 13.9 39 39 A F E -dE 72 126A 0 32,-2.7 34,-2.1 -2,-0.4 2,-0.3 -0.989 15.8-152.3-142.2 150.8 39.1 28.7 14.8 40 40 A F E -d 73 0A 0 85,-3.1 85,-0.4 -2,-0.3 34,-0.2 -0.757 5.7-172.3-116.7 161.3 41.2 29.6 17.9 41 41 A W - 0 0 5 32,-1.1 81,-0.4 -2,-0.3 34,-0.4 -0.978 32.8-114.9-150.1 145.2 44.0 32.0 18.8 42 42 A P S S- 0 0 22 0, 0.0 80,-0.7 0, 0.0 33,-0.6 0.926 80.5 -25.2 -41.8 -71.8 46.2 32.3 22.0 43 43 A K > - 0 0 33 78,-0.1 3,-0.8 31,-0.1 78,-0.0 -0.997 55.3-110.9-157.7 149.8 45.2 35.7 23.3 44 44 A D T 3 S+ 0 0 0 -2,-0.3 1595,-0.2 1,-0.2 1594,-0.1 -0.157 100.7 31.2 -67.7 168.8 43.8 39.1 22.4 45 45 A F T 3 S+ 0 0 10 47,-0.2 -1,-0.2 1,-0.1 1597,-0.1 0.694 85.6 170.3 50.3 24.0 46.1 42.2 22.7 46 46 A T < - 0 0 16 -3,-0.8 -1,-0.1 1,-0.1 -2,-0.0 -0.138 38.9-142.4 -57.8 156.1 49.0 39.9 21.8 47 47 A F S S+ 0 0 98 2,-0.1 2,-0.2 3,-0.0 -1,-0.1 0.418 84.9 78.9 -99.8 -3.9 52.3 41.6 21.0 48 48 A V S S- 0 0 45 1,-0.1 -2,-0.0 2,-0.0 0, 0.0 -0.650 107.8 -76.1 -95.9 160.8 52.9 39.0 18.3 49 49 A a - 0 0 0 -2,-0.2 3,-0.4 1,-0.2 -1,-0.1 -0.377 33.6-132.0 -63.9 133.0 51.1 39.5 15.0 50 50 A P > + 0 0 5 0, 0.0 3,-2.7 0, 0.0 4,-0.4 0.467 51.4 153.7 -60.3 -2.7 47.4 38.6 15.2 51 51 A T T 3> + 0 0 17 1,-0.3 4,-2.5 2,-0.2 5,-0.4 0.400 64.8 55.4 6.7 -63.0 48.1 36.6 11.9 52 52 A E H 3> S+ 0 0 0 -3,-0.4 4,-1.7 1,-0.2 -1,-0.3 0.938 111.8 42.6 -48.2 -56.4 45.2 34.2 12.7 53 53 A I H <> S+ 0 0 2 -3,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.890 115.4 49.9 -60.0 -45.6 42.7 37.0 13.0 54 54 A I H > S+ 0 0 43 -4,-0.4 4,-2.3 2,-0.2 3,-0.4 0.986 111.4 45.4 -57.1 -65.1 44.1 38.9 9.9 55 55 A A H X S+ 0 0 14 -4,-2.5 4,-1.4 1,-0.3 -1,-0.2 0.804 117.0 47.5 -51.2 -34.0 44.1 36.0 7.5 56 56 A F H < S+ 0 0 0 -4,-1.7 4,-0.4 -5,-0.4 -1,-0.3 0.847 106.4 55.7 -80.2 -32.2 40.7 35.0 8.6 57 57 A D H >< S+ 0 0 49 -4,-2.2 3,-1.3 -3,-0.4 4,-0.4 0.961 108.6 48.9 -63.9 -47.7 39.2 38.4 8.4 58 58 A K H >< S+ 0 0 142 -4,-2.3 3,-1.0 1,-0.3 4,-0.3 0.979 114.6 42.6 -51.3 -68.0 40.2 38.8 4.8 59 59 A R T 3X S+ 0 0 62 -4,-1.4 4,-2.2 1,-0.2 5,-0.4 0.408 83.4 103.6 -63.5 3.7 38.8 35.4 3.7 60 60 A V H <> S+ 0 0 17 -3,-1.3 4,-1.3 -4,-0.4 -1,-0.2 0.891 80.8 49.8 -54.3 -41.0 35.6 35.9 5.7 61 61 A K H <> S+ 0 0 155 -3,-1.0 4,-3.0 -4,-0.4 -1,-0.2 0.910 111.8 44.5 -64.9 -47.7 33.7 36.7 2.5 62 62 A D H > S+ 0 0 54 -4,-0.3 4,-2.4 2,-0.3 6,-0.3 0.976 111.8 51.6 -63.4 -55.6 34.8 33.8 0.4 63 63 A F H <>S+ 0 0 0 -4,-2.2 5,-2.9 1,-0.3 -1,-0.2 0.873 114.3 49.2 -47.3 -34.7 34.3 31.3 3.2 64 64 A H H ><5S+ 0 0 96 -4,-1.3 3,-1.9 -5,-0.4 -2,-0.3 0.925 105.6 53.0 -72.1 -47.2 30.9 32.9 3.3 65 65 A E H 3<5S+ 0 0 142 -4,-3.0 2,-0.2 1,-0.3 -2,-0.2 0.965 106.4 54.1 -49.3 -59.0 30.2 32.7 -0.4 66 66 A K T 3<5S- 0 0 49 -4,-2.4 -1,-0.3 1,-0.1 -2,-0.2 0.185 129.4 -96.3 -66.1 19.2 30.9 28.9 -0.3 67 67 A G T < 5S+ 0 0 2 -3,-1.9 -33,-2.9 -2,-0.2 -34,-1.2 0.734 84.2 127.9 73.8 25.6 28.4 28.5 2.5 68 68 A F E < -d 35 0A 1 -5,-2.9 -32,-0.2 -6,-0.3 -1,-0.2 -0.946 44.2-153.1-122.0 117.9 30.8 28.6 5.4 69 69 A N E -d 36 0A 35 -34,-1.4 -32,-1.7 -2,-0.5 2,-0.5 -0.316 15.2-137.4 -74.6 165.7 30.5 30.8 8.4 70 70 A V E -d 37 0A 8 -34,-0.2 2,-0.5 -39,-0.1 -32,-0.2 -0.933 20.9-178.8-133.5 110.8 33.6 31.8 10.3 71 71 A I E -d 38 0A 0 -34,-1.7 -32,-2.7 -2,-0.5 2,-0.3 -0.937 8.4-161.0-113.5 125.6 33.6 31.8 14.1 72 72 A G E -df 39 101A 0 28,-2.3 30,-3.1 -2,-0.5 2,-0.3 -0.728 8.7-169.4-100.8 152.1 36.7 32.8 16.1 73 73 A V E +df 40 102A 0 -34,-2.1 -32,-1.1 -2,-0.3 2,-0.3 -1.000 11.1 168.8-147.2 144.0 37.3 31.9 19.7 74 74 A S E - f 0 103A 0 28,-2.0 30,-3.4 -2,-0.3 -31,-0.1 -0.942 44.9-114.5-146.0 161.2 39.7 32.9 22.4 75 75 A I S S+ 0 0 5 -33,-0.6 32,-0.1 -34,-0.4 28,-0.1 0.491 87.8 100.9 -79.1 -0.6 39.9 32.3 26.2 76 76 A D S S- 0 0 2 26,-0.2 28,-0.3 1,-0.1 -2,-0.3 -0.314 79.7 -99.9 -81.0 163.0 39.5 36.1 26.6 77 77 A S >> - 0 0 0 26,-0.1 4,-2.6 1,-0.1 3,-1.3 -0.523 23.9-116.3 -86.5 154.3 36.2 37.8 27.6 78 78 A E H 3> S+ 0 0 14 1,-0.3 4,-3.5 2,-0.2 5,-0.3 0.893 115.4 65.1 -52.3 -41.0 33.8 39.6 25.3 79 79 A Q H 3> S+ 0 0 18 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.875 111.2 35.5 -50.8 -38.7 34.6 42.8 27.1 80 80 A V H <> S+ 0 0 0 -3,-1.3 4,-2.2 2,-0.2 -1,-0.2 0.831 112.4 57.4 -87.2 -32.3 38.1 42.5 25.8 81 81 A H H >X S+ 0 0 0 -4,-2.6 4,-1.5 2,-0.2 3,-0.6 0.991 112.6 45.3 -55.3 -55.2 37.2 41.0 22.4 82 82 A F H >X S+ 0 0 68 -4,-3.5 4,-1.9 1,-0.3 3,-1.3 0.951 112.1 48.3 -47.6 -66.1 35.1 44.1 22.0 83 83 A A H 3< S+ 0 0 14 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.771 107.2 58.9 -49.5 -28.9 37.8 46.5 23.3 84 84 A W H X< S+ 0 0 1 -4,-2.2 10,-3.3 -3,-0.6 11,-1.0 0.865 105.1 48.3 -72.3 -34.0 40.3 44.8 20.9 85 85 A K H << S+ 0 0 2 -4,-1.5 2,-1.4 -3,-1.3 10,-0.4 0.912 106.7 58.2 -68.9 -44.3 38.2 45.6 17.9 86 86 A N T 3< S+ 0 0 68 -4,-1.9 -1,-0.3 9,-0.2 -2,-0.1 -0.267 89.4 102.8 -82.3 49.7 37.9 49.2 19.0 87 87 A T S < S- 0 0 20 -2,-1.4 8,-0.2 -3,-0.6 5,-0.1 -0.995 81.3-102.7-139.4 135.1 41.6 49.9 19.0 88 88 A P > > - 0 0 62 0, 0.0 5,-2.4 0, 0.0 3,-2.1 -0.290 29.2-136.1 -51.1 121.2 44.0 51.7 16.7 89 89 A V G > 5S+ 0 0 58 1,-0.3 3,-0.8 3,-0.3 -3,-0.0 0.708 109.2 55.2 -57.1 -17.8 45.8 48.9 14.8 90 90 A E G 3 5S+ 0 0 79 1,-0.2 -1,-0.3 2,-0.1 254,-0.1 0.688 102.8 56.5 -83.9 -19.0 49.0 51.0 15.4 91 91 A K G < 5S- 0 0 91 -3,-2.1 -1,-0.2 252,-0.1 -2,-0.2 0.137 134.7 -97.3 -90.7 14.2 48.0 50.8 19.0 92 92 A G T < 5S+ 0 0 0 252,-1.0 -3,-0.3 -3,-0.8 -47,-0.2 0.478 78.1 149.9 81.7 2.4 48.0 47.0 18.5 93 93 A G < - 0 0 3 -5,-2.4 -1,-0.2 1,-0.1 -8,-0.2 -0.071 49.0-137.8 -62.9 168.1 44.3 47.0 18.1 94 94 A I - 0 0 23 -10,-3.3 -9,-0.2 -11,-0.1 -1,-0.1 0.787 37.1-140.1 -97.7 -35.2 42.5 44.4 15.9 95 95 A G - 0 0 17 -11,-1.0 -9,-0.2 -10,-0.4 -10,-0.0 0.254 43.5 -42.1 84.9 146.3 40.0 46.7 14.2 96 96 A Q - 0 0 101 -11,-0.4 2,-0.3 1,-0.1 -79,-0.1 -0.141 69.1-165.4 -43.5 119.6 36.4 46.1 13.3 97 97 A V - 0 0 7 2,-0.2 -78,-0.3 -80,-0.1 -2,-0.1 -0.828 24.2-132.4-115.2 156.6 36.2 42.5 12.0 98 98 A S S S+ 0 0 64 -2,-0.3 -81,-0.5 -41,-0.1 -80,-0.1 0.853 80.3 72.0 -73.6 -40.9 33.5 40.7 10.1 99 99 A F S S- 0 0 5 -82,-0.1 -2,-0.2 -83,-0.1 -28,-0.1 -0.407 86.4-103.3 -83.4 155.7 33.3 37.4 12.1 100 100 A P - 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