==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-FEB-02 1L1J . COMPND 2 MOLECULE: HEAT SHOCK PROTEASE HTRA; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR D.Y.KIM,D.R.KIM,S.C.HA,N.K.LOKANATH,H.Y.HWANG,K.K.KIM . 452 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21625.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 278 61.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 133 29.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 1.3 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 . 30 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 54 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 3 0 0 0 3 2 1 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 2 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 . 1 3 10 3 3 3 2 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 0 0 0 2 2 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 24 A D 0 0 114 0, 0.0 417,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 -69.9 48.1 -27.4 70.4 2 25 A Y + 0 0 54 415,-0.3 234,-0.2 1,-0.0 416,-0.1 0.327 360.0 78.7-126.1 0.7 44.6 -25.9 70.8 3 26 A E S S+ 0 0 84 1,-0.1 -1,-0.0 230,-0.1 415,-0.0 0.268 77.1 84.5 -94.1 11.2 45.3 -22.9 73.0 4 27 A S > + 0 0 35 1,-0.2 4,-1.9 2,-0.1 -1,-0.1 -0.784 50.3 176.8-118.5 88.6 46.6 -20.9 70.0 5 28 A P H > S+ 0 0 32 0, 0.0 4,-2.6 0, 0.0 3,-0.4 0.949 81.1 52.7 -52.4 -59.3 43.8 -19.2 68.1 6 29 A I H > S+ 0 0 54 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.899 109.4 50.9 -45.9 -47.0 46.0 -17.3 65.5 7 30 A V H > S+ 0 0 70 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.908 110.5 51.2 -58.2 -41.6 47.7 -20.6 64.7 8 31 A N H X S+ 0 0 29 -4,-1.9 4,-1.9 -3,-0.4 -2,-0.2 0.961 107.0 50.9 -61.7 -53.6 44.2 -22.1 64.2 9 32 A V H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 3,-0.4 0.929 112.3 46.8 -49.7 -53.6 42.9 -19.4 61.9 10 33 A V H X S+ 0 0 15 -4,-2.2 4,-3.6 1,-0.3 -1,-0.2 0.941 108.8 53.9 -53.9 -53.2 46.0 -19.7 59.6 11 34 A E H < S+ 0 0 134 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.837 116.9 42.0 -50.6 -33.7 45.8 -23.5 59.6 12 35 A A H < S+ 0 0 47 -4,-1.9 -2,-0.3 -3,-0.4 -1,-0.2 0.832 124.3 31.2 -85.0 -35.9 42.2 -22.9 58.5 13 36 A C H >< S+ 0 0 5 -4,-2.9 3,-1.6 -5,-0.2 4,-0.3 0.627 96.2 83.8-101.3 -14.0 42.6 -20.1 56.0 14 37 A A G >< S+ 0 0 4 -4,-3.6 3,-2.5 -5,-0.3 72,-0.2 0.913 82.6 60.9 -55.7 -48.2 46.0 -20.8 54.5 15 38 A P G 3 S+ 0 0 52 0, 0.0 71,-0.3 0, 0.0 -1,-0.3 0.565 104.8 51.7 -60.3 -4.3 44.9 -23.3 51.9 16 39 A A G < S+ 0 0 2 -3,-1.6 45,-1.7 69,-0.1 2,-0.6 0.410 86.9 95.9-110.2 -0.9 42.7 -20.6 50.3 17 40 A V E < -A 60 0A 1 -3,-2.5 43,-0.2 -4,-0.3 69,-0.2 -0.824 60.5-168.6 -95.1 118.5 45.4 -18.0 50.0 18 41 A V E -A 59 0A 0 41,-1.9 41,-1.3 -2,-0.6 2,-0.2 -0.533 20.3-121.1-108.3 172.0 47.0 -18.0 46.5 19 42 A K E -AB 58 84A 31 65,-2.5 65,-1.0 39,-0.2 2,-0.3 -0.680 18.3-155.5-103.2 156.7 49.9 -16.6 44.6 20 43 A I E +AB 57 83A 0 37,-1.1 37,-0.9 -2,-0.2 2,-0.4 -0.818 14.8 174.5-143.2 100.9 49.6 -14.4 41.5 21 44 A D E -AB 56 82A 29 61,-2.3 61,-2.6 -2,-0.3 2,-0.5 -0.911 8.3-169.1-110.5 131.9 52.4 -14.2 38.9 22 45 A V E -A 55 0A 1 33,-1.9 32,-3.3 -2,-0.4 33,-1.0 -0.971 18.1-133.9-123.9 115.9 52.1 -12.3 35.6 23 46 A V E -A 53 0A 68 -2,-0.5 57,-0.2 57,-0.3 30,-0.2 -0.154 26.8-107.4 -64.3 159.4 54.7 -12.7 32.9 24 47 A K 0 0 73 28,-1.5 -1,-0.1 27,-0.2 30,-0.1 -0.302 360.0 360.0 -85.5 172.6 56.2 -9.7 31.1 25 48 A T 0 0 129 -2,-0.1 29,-0.0 29,-0.0 0, 0.0 0.267 360.0 360.0 69.8 360.0 55.6 -8.5 27.5 26 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 27 51 A T 0 0 102 0, 0.0 -3,-0.1 0, 0.0 51,-0.0 0.000 360.0 360.0 360.0 73.6 53.8 -4.2 31.4 28 52 A S + 0 0 112 49,-0.1 48,-0.1 26,-0.0 0, 0.0 0.377 360.0 73.7-146.7 -43.5 52.4 -1.3 33.5 29 53 A F + 0 0 26 1,-0.2 2,-1.2 48,-0.2 47,-0.0 0.184 67.8 113.7 -67.1 19.6 51.8 -2.8 37.0 30 54 A F + 0 0 63 25,-0.1 -1,-0.2 4,-0.1 25,-0.1 -0.446 42.4 172.2 -91.6 58.6 55.6 -2.7 37.2 31 55 A D >> - 0 0 75 -2,-1.2 3,-1.8 42,-0.2 4,-0.8 -0.638 34.7-134.5 -75.0 108.2 55.7 -0.1 40.0 32 56 A P H 3> S+ 0 0 80 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.560 99.2 66.4 -34.2 -24.9 59.5 -0.1 40.9 33 57 A Y H 3> S+ 0 0 61 2,-0.2 4,-1.2 1,-0.2 3,-0.2 0.971 103.2 44.6 -67.3 -50.6 58.7 -0.2 44.6 34 58 A F H <> S+ 0 0 19 -3,-1.8 4,-1.7 1,-0.2 5,-0.2 0.833 109.9 52.0 -62.2 -41.9 57.2 -3.7 44.4 35 59 A E H X S+ 0 0 44 -4,-0.8 4,-2.3 1,-0.2 -1,-0.2 0.846 109.2 52.9 -66.8 -31.0 59.9 -5.3 42.2 36 60 A Q H X S+ 0 0 129 -4,-1.1 4,-2.1 2,-0.2 -1,-0.2 0.818 104.0 56.2 -74.3 -29.9 62.5 -4.0 44.6 37 61 A F H X S+ 0 0 37 -4,-1.2 4,-1.9 2,-0.2 5,-0.3 0.963 114.9 36.3 -66.0 -52.3 60.8 -5.6 47.6 38 62 A F H X S+ 0 0 4 -4,-1.7 4,-3.0 2,-0.2 3,-0.2 0.956 116.7 54.1 -63.9 -50.0 60.8 -9.1 46.2 39 63 A K H < S+ 0 0 113 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.871 117.2 37.2 -50.6 -43.2 64.2 -8.6 44.5 40 64 A K H < S+ 0 0 139 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.715 128.4 29.4 -85.4 -23.8 65.8 -7.6 47.9 41 65 A W H < S+ 0 0 163 -4,-1.9 2,-0.8 -3,-0.2 -3,-0.2 0.636 104.2 67.9-114.3 -17.4 63.9 -9.9 50.3 42 66 A F >< + 0 0 25 -4,-3.0 3,-2.3 -5,-0.3 -1,-0.2 -0.636 45.1 173.7-111.1 79.4 63.0 -13.1 48.5 43 67 A G T 3 S+ 0 0 81 -2,-0.8 -1,-0.1 1,-0.3 -4,-0.1 0.493 74.7 78.3 -58.3 -1.4 66.1 -15.0 47.7 44 68 A E T 3 + 0 0 108 -3,-0.1 -1,-0.3 2,-0.0 -2,-0.0 0.356 69.1 110.6 -88.3 4.5 63.7 -17.7 46.5 45 69 A L S < S- 0 0 35 -3,-2.3 4,-0.2 -7,-0.2 95,-0.0 -0.716 76.8-111.8 -86.3 122.7 63.2 -15.7 43.3 46 70 A P > - 0 0 78 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.062 30.1-104.9 -44.9 156.7 64.7 -17.4 40.2 47 71 A P T 3 S+ 0 0 149 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 0.757 120.4 55.2 -59.4 -22.5 67.7 -15.7 38.5 48 72 A G T 3> S+ 0 0 19 1,-0.1 4,-1.2 2,-0.1 5,-0.2 -0.196 70.3 119.1-106.4 42.2 65.2 -14.6 35.8 49 73 A F H <> S+ 0 0 23 -3,-1.2 4,-4.2 -4,-0.2 -1,-0.1 0.999 73.3 43.1 -66.8 -73.8 62.6 -12.8 37.9 50 74 A E H 4 S+ 0 0 84 1,-0.2 -2,-0.1 2,-0.2 -1,-0.1 0.890 118.4 42.6 -36.0 -71.7 62.8 -9.2 36.6 51 75 A R H 4 S+ 0 0 217 1,-0.2 -1,-0.2 -28,-0.0 -27,-0.2 0.915 125.8 36.3 -46.2 -49.9 62.9 -10.0 32.9 52 76 A Q H < S+ 0 0 125 -4,-1.2 -28,-1.5 -29,-0.1 2,-0.3 0.789 109.3 65.5 -78.3 -30.8 60.3 -12.7 33.3 53 77 A V E < +A 23 0A 23 -4,-4.2 -30,-0.2 -30,-0.2 3,-0.1 -0.758 39.6 174.0-104.7 144.0 57.9 -11.3 35.9 54 78 A A E S+ 0 0 8 -32,-3.3 2,-0.3 1,-0.4 -31,-0.2 0.711 76.8 2.5-108.5 -34.9 55.6 -8.3 35.8 55 79 A S E -A 22 0A 12 -33,-1.0 -33,-1.9 -25,-0.1 2,-0.4 -0.953 53.2-171.8-159.7 137.0 53.8 -8.7 39.1 56 80 A L E +A 21 0A 12 -2,-0.3 2,-0.2 -35,-0.2 -35,-0.2 -0.995 33.5 122.0-128.3 131.4 53.9 -11.1 42.0 57 81 A G E -A 20 0A 0 -37,-0.9 -37,-1.1 -2,-0.4 2,-0.3 -0.733 47.1 -96.6-158.7-151.3 51.3 -10.9 44.8 58 82 A S E +A 19 0A 0 124,-1.0 13,-0.5 -39,-0.2 2,-0.3 -0.857 29.4 164.7-140.4 175.2 48.6 -12.7 46.7 59 83 A G E -AC 18 70A 0 -41,-1.3 -41,-1.9 -2,-0.3 2,-0.3 -0.952 22.5-124.9-174.5-178.1 44.9 -13.1 46.6 60 84 A F E -AC 17 69A 0 9,-2.1 9,-2.6 -2,-0.3 2,-0.4 -0.985 16.8-117.5-155.9 141.9 42.2 -15.3 48.0 61 85 A I E + C 0 68A 3 -45,-1.7 58,-2.3 -2,-0.3 7,-0.3 -0.620 27.0 177.6 -75.9 122.7 39.3 -17.5 46.9 62 86 A F E + 0 0 16 5,-2.2 59,-0.1 -2,-0.4 6,-0.1 0.393 68.4 28.8-107.9 1.1 36.0 -16.1 48.3 63 87 A D E >> S- C 0 67A 65 4,-0.8 3,-2.2 54,-0.2 4,-1.8 -0.839 80.4-117.6-166.1 124.3 33.6 -18.6 46.7 64 88 A P T 34 S+ 0 0 22 0, 0.0 52,-1.7 0, 0.0 -1,-0.0 0.596 102.6 79.0 -30.5 -34.0 34.1 -22.3 45.6 65 89 A E T 34 S- 0 0 68 50,-0.2 46,-0.2 1,-0.1 44,-0.0 0.612 121.9 -95.5 -59.9 -10.9 33.4 -21.6 42.0 66 90 A G T <4 S+ 0 0 0 -3,-2.2 43,-2.3 1,-0.3 2,-0.4 0.662 70.6 157.0 103.7 19.7 37.0 -20.3 41.8 67 91 A Y E < -CD 63 108A 66 -4,-1.8 -5,-2.2 41,-0.2 -4,-0.8 -0.657 19.6-168.8 -83.1 132.7 36.5 -16.6 42.4 68 92 A I E -CD 61 107A 1 39,-3.3 39,-3.1 -2,-0.4 2,-0.3 -0.939 13.2-155.7-128.0 144.3 39.4 -14.7 43.7 69 93 A L E +CD 60 106A 0 -9,-2.6 -9,-2.1 -2,-0.4 2,-0.3 -0.795 28.5 135.9-112.5 156.8 40.1 -11.3 45.2 70 94 A T E -CD 59 105A 0 35,-1.2 35,-1.1 -2,-0.3 2,-0.4 -0.936 55.9 -54.5-173.4-169.5 43.3 -9.4 45.3 71 95 A N E >> - D 0 104A 0 -13,-0.5 4,-1.4 -2,-0.3 3,-0.7 -0.730 36.3-139.2 -90.9 136.4 44.9 -6.0 44.7 72 96 A Y H 3> S+ 0 0 48 31,-0.7 4,-1.8 -2,-0.4 -1,-0.1 0.894 104.5 58.7 -59.5 -41.0 44.3 -4.3 41.3 73 97 A H H 34 S+ 0 0 31 30,-0.2 -1,-0.3 2,-0.2 -42,-0.2 0.820 105.6 53.7 -59.3 -27.7 47.9 -3.1 41.2 74 98 A V H <4 S+ 0 0 3 -3,-0.7 -2,-0.2 29,-0.1 -1,-0.1 0.979 130.2 10.0 -67.5 -78.5 48.8 -6.7 41.5 75 99 A V H < S+ 0 0 0 -4,-1.4 -3,-0.2 30,-0.1 -2,-0.2 0.928 92.6 151.6 -67.1 -48.9 46.9 -8.2 38.6 76 100 A G S < S- 0 0 3 -4,-1.8 2,-2.0 -5,-0.4 -3,-0.1 0.007 70.8 -9.1 47.4-156.8 45.8 -4.9 37.0 77 101 A G S S+ 0 0 59 -4,-0.0 2,-0.4 2,-0.0 -1,-0.2 -0.520 95.0 169.5 -70.5 88.9 45.1 -4.8 33.3 78 102 A A + 0 0 19 -2,-2.0 17,-0.3 1,-0.1 3,-0.2 -0.862 37.2 173.0-115.8 144.6 46.5 -8.3 32.7 79 103 A D S S+ 0 0 124 -2,-0.4 2,-0.8 1,-0.2 -1,-0.1 0.748 83.7 48.0-104.7 -43.3 46.6 -10.7 29.8 80 104 A N S S+ 0 0 49 -57,-0.2 2,-0.5 2,-0.0 -57,-0.3 -0.862 71.6 168.1-107.1 96.8 48.9 -13.4 31.3 81 105 A I - 0 0 5 -2,-0.8 12,-1.3 12,-0.3 2,-0.5 -0.948 12.7-169.6-117.5 121.2 47.7 -14.2 34.8 82 106 A T E -BE 21 92A 27 -61,-2.6 -61,-2.3 -2,-0.5 2,-0.5 -0.918 2.6-164.2-112.6 127.9 49.1 -17.3 36.7 83 107 A V E -BE 20 91A 2 8,-2.2 8,-2.3 -2,-0.5 2,-0.4 -0.938 4.1-168.9-113.4 124.8 47.6 -18.5 39.9 84 108 A T E -BE 19 90A 9 -65,-1.0 -65,-2.5 -2,-0.5 6,-0.2 -0.915 8.5-153.6-114.2 137.8 49.5 -20.9 42.2 85 109 A M > - 0 0 11 4,-2.3 3,-1.1 -2,-0.4 -67,-0.1 -0.610 28.2-110.1-108.3 168.6 47.9 -22.7 45.2 86 110 A L T 3 S+ 0 0 45 -71,-0.3 -70,-0.1 1,-0.3 -1,-0.1 0.840 116.3 58.5 -63.1 -36.0 49.1 -24.2 48.5 87 111 A D T 3 S- 0 0 114 -72,-0.2 -1,-0.3 2,-0.1 55,-0.1 0.674 121.0-109.6 -69.8 -12.8 48.6 -27.8 47.3 88 112 A G S < S+ 0 0 42 -3,-1.1 -2,-0.1 1,-0.3 -1,-0.1 -0.028 73.7 135.7 111.4 -29.2 51.0 -27.0 44.5 89 113 A S - 0 0 36 -5,-0.1 -4,-2.3 1,-0.1 -1,-0.3 -0.155 42.3-144.7 -54.8 141.8 48.5 -27.0 41.6 90 114 A K E +E 84 0A 137 -6,-0.2 2,-0.3 -8,-0.0 -6,-0.2 -0.771 19.6 178.2-111.3 155.2 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