==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CHEMOTAXIS 04-JUN-97 3TMY . COMPND 2 MOLECULE: CHEY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR K.C.USHER,A.DE LA CRUZ,F.W.DAHLQUIST,S.J.REMINGTON . 236 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12159.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 184 78.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 45 19.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 18 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 92 39.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.1 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 6 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 5 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 . 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 2 A G 0 0 66 0, 0.0 3,-0.0 0, 0.0 117,-0.0 0.000 360.0 360.0 360.0-137.2 21.0 53.1 20.5 2 3 A K + 0 0 98 116,-0.1 25,-3.2 24,-0.0 2,-0.7 0.160 360.0 116.5-147.3 16.4 22.7 53.7 17.1 3 4 A R E -a 27 0A 83 23,-0.2 45,-2.3 25,-0.1 46,-2.0 -0.840 49.2-163.1 -94.4 110.1 24.8 50.5 16.5 4 5 A V E -ab 28 49A 0 23,-4.0 25,-1.4 -2,-0.7 26,-1.0 -0.839 15.8-150.8-102.1 131.5 23.3 48.8 13.4 5 6 A L E -ab 30 50A 0 44,-3.5 46,-2.7 -2,-0.5 2,-0.5 -0.866 19.5-154.0 -96.1 116.8 23.9 45.2 12.4 6 7 A I E -ab 31 51A 0 24,-2.4 26,-2.1 -2,-0.6 2,-0.4 -0.838 12.6-175.2 -97.5 129.3 23.6 45.0 8.5 7 8 A V E +ab 32 52A 1 44,-1.4 46,-2.4 -2,-0.5 2,-0.3 -0.973 23.7 124.4-129.8 120.6 22.6 41.7 6.9 8 9 A D - 0 0 4 24,-2.4 24,-0.1 -2,-0.4 26,-0.1 -0.894 52.0-136.8-172.6 141.0 22.5 41.0 3.2 9 10 A D S S+ 0 0 73 46,-0.3 2,-0.7 -2,-0.3 24,-0.1 0.548 88.3 84.5 -78.0 -16.5 24.0 38.4 0.9 10 11 A A > - 0 0 40 1,-0.2 4,-2.3 2,-0.0 5,-0.1 -0.846 64.0-162.0 -95.3 114.6 24.8 41.2 -1.6 11 12 A A H > S+ 0 0 51 -2,-0.7 4,-2.2 2,-0.2 5,-0.2 0.839 92.0 55.5 -60.9 -39.3 28.1 42.9 -0.8 12 13 A F H > S+ 0 0 141 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.939 109.4 48.0 -59.3 -46.7 27.2 45.8 -2.9 13 14 A M H > S+ 0 0 27 1,-0.2 4,-2.0 2,-0.2 5,-0.3 0.841 109.6 51.1 -61.3 -43.1 24.1 46.2 -1.0 14 15 A R H X S+ 0 0 29 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.924 111.7 48.3 -63.2 -42.9 25.7 46.0 2.3 15 16 A M H X S+ 0 0 105 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.852 110.6 49.6 -64.9 -39.6 28.3 48.6 1.4 16 17 A M H >X S+ 0 0 56 -4,-2.2 4,-2.1 2,-0.2 3,-0.5 0.973 113.4 45.7 -64.1 -51.7 25.8 51.0 0.1 17 18 A L H 3X S+ 0 0 2 -4,-2.0 4,-3.3 1,-0.3 5,-0.4 0.934 110.4 55.3 -51.8 -49.0 23.7 50.7 3.2 18 19 A K H 3X S+ 0 0 54 -4,-2.5 4,-1.6 -5,-0.3 -1,-0.3 0.874 105.5 51.9 -54.9 -40.2 26.7 51.0 5.2 19 20 A D H S+ 0 0 1 -4,-3.3 5,-2.6 1,-0.2 4,-0.2 0.897 115.1 43.8 -53.5 -40.2 23.8 54.5 7.9 22 23 A T H ><5S+ 0 0 75 -4,-1.6 3,-1.3 -5,-0.4 -1,-0.2 0.884 110.2 50.6 -72.0 -49.4 27.2 56.2 8.5 23 24 A K H 3<5S+ 0 0 161 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.864 108.3 58.1 -59.4 -30.1 26.6 59.5 6.7 24 25 A A T 3<5S- 0 0 43 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.604 125.5-102.3 -78.2 -5.8 23.5 59.6 8.6 25 26 A G T < 5S+ 0 0 46 -3,-1.3 -3,-0.2 1,-0.3 -2,-0.1 0.360 80.3 124.5 101.1 -4.9 25.3 59.5 11.9 26 27 A Y < - 0 0 25 -5,-2.6 2,-0.4 -6,-0.2 -1,-0.3 -0.276 54.6-119.5 -80.5 178.9 24.7 55.8 12.8 27 28 A E E -a 3 0A 89 -25,-3.2 -23,-4.0 -3,-0.1 2,-1.0 -0.978 9.9-129.1-126.7 137.1 27.3 53.2 13.6 28 29 A V E +a 4 0A 43 -2,-0.4 -23,-0.2 -25,-0.2 3,-0.1 -0.660 21.5 179.6 -87.5 93.6 28.1 49.9 11.9 29 30 A A E - 0 0 23 -25,-1.4 2,-0.3 -2,-1.0 -24,-0.2 0.908 61.8 -71.7 -59.9 -36.2 28.2 47.2 14.6 30 31 A G E -a 5 0A 15 -26,-1.0 -24,-2.4 -3,-0.1 2,-0.3 -0.968 48.5-101.4 164.5-167.4 29.0 44.6 11.9 31 32 A E E -a 6 0A 67 -2,-0.3 2,-0.3 -26,-0.2 -24,-0.2 -0.909 15.8-158.6-140.9 166.1 27.6 42.7 9.0 32 33 A A E -a 7 0A 1 -26,-2.1 -24,-2.4 -2,-0.3 3,-0.1 -0.996 12.7-155.6-151.1 152.6 26.2 39.3 8.0 33 34 A T S S+ 0 0 50 -2,-0.3 2,-0.3 -26,-0.2 -26,-0.1 0.474 76.1 12.5-105.6 -9.4 25.7 37.4 4.7 34 35 A N S > S- 0 0 23 22,-0.1 4,-2.1 -26,-0.1 -1,-0.2 -0.947 82.9 -91.0-157.7 172.6 22.9 35.0 5.6 35 36 A G H > S+ 0 0 0 24,-1.9 4,-1.6 22,-0.7 5,-0.1 0.763 121.6 47.9 -62.5 -35.4 20.2 34.3 8.1 36 37 A R H > S+ 0 0 158 21,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.971 111.8 48.9 -72.7 -46.8 22.4 31.9 10.2 37 38 A E H > S+ 0 0 56 1,-0.2 4,-2.1 2,-0.2 5,-0.3 0.814 109.3 56.0 -57.1 -36.6 25.3 34.4 10.3 38 39 A A H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.922 103.9 50.3 -61.3 -55.2 22.9 37.1 11.4 39 40 A V H X S+ 0 0 12 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.899 110.7 52.9 -54.2 -37.1 21.6 35.3 14.3 40 41 A E H X S+ 0 0 103 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.920 112.1 41.0 -60.8 -56.5 25.1 34.6 15.4 41 42 A K H X>S+ 0 0 58 -4,-2.1 4,-1.5 2,-0.2 5,-0.6 0.803 107.6 61.5 -72.2 -25.4 26.2 38.2 15.3 42 43 A Y H X5S+ 0 0 10 -4,-2.8 4,-3.3 -5,-0.3 -2,-0.2 1.000 108.1 46.7 -57.6 -52.0 23.1 39.3 16.8 43 44 A K H <5S+ 0 0 136 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.866 120.8 35.3 -52.2 -49.0 24.1 37.2 19.8 44 45 A E H <5S+ 0 0 120 -4,-2.2 -1,-0.2 1,-0.2 -3,-0.2 0.990 125.5 37.4 -67.1 -62.2 27.7 38.5 20.0 45 46 A L H <5S- 0 0 38 -4,-1.5 -2,-0.2 -5,-0.1 -3,-0.2 0.670 80.4-157.1 -58.9 -37.7 27.2 42.1 18.9 46 47 A K << - 0 0 150 -4,-3.3 -4,-0.1 -5,-0.6 -3,-0.1 0.927 26.7-165.9 47.2 55.9 23.9 42.7 20.7 47 48 A P - 0 0 6 0, 0.0 29,-0.2 0, 0.0 -43,-0.2 -0.109 29.1-130.2 -69.8 168.6 23.2 45.6 18.2 48 49 A D S S+ 0 0 57 -45,-2.3 2,-0.3 1,-0.3 28,-0.3 0.864 90.0 23.2 -86.9 -31.6 20.6 48.2 18.7 49 50 A I E -b 4 0A 2 -46,-2.0 -44,-3.5 26,-0.1 2,-0.4 -0.952 61.6-159.2-134.3 151.7 19.2 47.7 15.2 50 51 A V E -bc 5 77A 0 26,-2.5 28,-3.0 -2,-0.3 2,-0.6 -0.995 4.7-160.0-131.1 127.0 19.2 45.1 12.5 51 52 A T E -bc 6 78A 2 -46,-2.7 -44,-1.4 -2,-0.4 2,-0.5 -0.950 22.0-163.6-102.7 129.7 18.6 45.7 9.0 52 53 A M E -bc 7 79A 0 26,-3.0 28,-1.7 -2,-0.6 -44,-0.2 -0.887 13.9-144.7-128.5 112.6 17.6 42.4 7.5 53 54 A D E - c 0 80A 8 -46,-2.4 28,-0.2 -2,-0.5 3,-0.1 -0.165 13.2-144.8 -60.5 150.4 17.5 41.4 3.8 54 55 A I S S+ 0 0 0 26,-1.2 7,-2.1 1,-0.2 2,-0.7 0.962 80.6 53.5 -87.9 -53.4 14.6 39.0 2.8 55 56 A T S S+ 0 0 74 5,-0.2 -46,-0.3 6,-0.1 -1,-0.2 -0.794 74.5 136.6 -91.8 115.2 15.9 36.7 0.2 56 57 A M - 0 0 3 -2,-0.7 2,-0.1 -3,-0.1 -22,-0.1 -0.954 49.9 -97.9-152.2 159.7 19.1 35.0 1.4 57 58 A P S S+ 0 0 67 0, 0.0 2,-2.3 0, 0.0 -22,-0.7 -0.430 94.4 7.1 -84.3 158.0 20.7 31.7 1.5 58 59 A E S S+ 0 0 115 -2,-0.1 2,-0.4 -24,-0.1 -24,-0.1 -0.535 138.0 21.1 72.3 -73.7 20.8 29.1 4.3 59 60 A M S S- 0 0 35 -2,-2.3 -24,-1.9 117,-0.1 -23,-0.2 -0.985 79.2-141.9-124.4 136.1 18.3 31.2 6.3 60 61 A N > - 0 0 20 -2,-0.4 4,-2.3 -26,-0.1 -5,-0.2 -0.153 35.0 -97.7 -79.4 179.6 16.1 33.7 4.9 61 62 A G H > S+ 0 0 0 -7,-2.1 4,-3.3 2,-0.2 5,-0.2 0.904 123.3 50.2 -67.8 -38.2 15.3 37.0 6.7 62 63 A I H > S+ 0 0 8 -8,-0.3 4,-2.1 2,-0.2 5,-0.2 0.908 109.3 51.1 -67.0 -41.0 12.1 35.6 8.1 63 64 A D H > S+ 0 0 31 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.964 114.7 43.1 -59.4 -53.4 13.7 32.6 9.4 64 65 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 5,-0.2 0.848 108.3 58.1 -66.5 -29.6 16.3 34.6 11.0 65 66 A I H X S+ 0 0 0 -4,-3.3 4,-3.0 1,-0.2 -1,-0.2 0.945 106.0 50.7 -64.1 -40.4 13.9 37.2 12.4 66 67 A K H X S+ 0 0 122 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.901 109.9 50.7 -60.2 -41.4 12.0 34.4 14.2 67 68 A E H X S+ 0 0 62 -4,-1.6 4,-1.9 2,-0.2 3,-0.3 0.949 112.7 43.6 -62.0 -50.4 15.2 33.2 15.7 68 69 A I H X S+ 0 0 1 -4,-2.3 4,-3.8 1,-0.3 -1,-0.2 0.859 107.3 59.0 -65.9 -38.9 16.3 36.5 16.9 69 70 A M H < S+ 0 0 40 -4,-3.0 -1,-0.3 -5,-0.2 -2,-0.2 0.857 105.7 52.8 -59.1 -31.8 12.8 37.3 18.2 70 71 A K H < S+ 0 0 164 -4,-1.6 -2,-0.2 -3,-0.3 -1,-0.2 0.960 113.5 40.6 -62.7 -53.2 13.4 34.1 20.3 71 72 A I H < S+ 0 0 77 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.893 134.8 17.1 -62.2 -41.5 16.6 35.4 21.7 72 73 A D >< - 0 0 36 -4,-3.8 3,-2.9 -5,-0.1 -1,-0.2 -0.606 54.8-172.6-145.2 91.4 15.3 38.9 22.2 73 74 A P T 3 S+ 0 0 85 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.560 93.8 56.4 -53.0 -10.5 11.7 39.7 22.1 74 75 A N T 3 S+ 0 0 121 -3,-0.0 -5,-0.1 2,-0.0 -3,-0.0 0.129 78.8 139.9-108.4 15.5 12.8 43.4 22.2 75 76 A A < - 0 0 0 -3,-2.9 2,-0.6 -7,-0.1 -26,-0.1 -0.315 48.2-139.3 -60.7 145.8 14.9 43.1 19.1 76 77 A K + 0 0 80 -28,-0.3 -26,-2.5 -29,-0.2 2,-0.4 -0.815 32.1 169.4-114.7 92.8 14.7 46.0 16.6 77 78 A I E -c 50 0A 0 -2,-0.6 21,-4.0 19,-0.4 22,-0.9 -0.857 19.6-169.9-111.1 137.9 14.6 44.7 13.1 78 79 A I E -cd 51 99A 0 -28,-3.0 -26,-3.0 -2,-0.4 2,-0.4 -0.981 20.5-139.3-121.7 128.3 13.9 46.5 9.8 79 80 A V E -cd 52 100A 0 20,-2.9 22,-2.4 -2,-0.4 2,-0.5 -0.722 6.1-149.0 -97.3 136.6 13.4 44.4 6.8 80 81 A C E +cd 53 101A 1 -28,-1.7 -26,-1.2 -2,-0.4 2,-0.3 -0.903 23.9 177.1-101.0 130.3 14.9 45.3 3.3 81 82 A S E - d 0 102A 5 20,-2.4 22,-2.5 -2,-0.5 2,-0.2 -0.838 29.6-123.3-132.3 160.1 12.9 44.2 0.3 82 83 A A E > - d 0 103A 36 -2,-0.3 3,-0.8 20,-0.2 19,-0.0 -0.607 55.0 -82.9 -88.2 159.6 13.0 44.4 -3.4 83 84 A M T 3 S+ 0 0 156 20,-0.6 -1,-0.2 -2,-0.2 19,-0.0 -0.324 119.5 34.5 -59.5 154.9 10.0 45.9 -5.0 84 85 A G T 3 S+ 0 0 79 -3,-0.1 -1,-0.2 1,-0.1 3,-0.1 0.768 84.2 107.7 69.6 24.7 7.2 43.3 -5.4 85 86 A Q X> + 0 0 45 -3,-0.8 4,-2.0 1,-0.1 3,-0.9 0.072 37.5 129.1-114.5 19.8 8.2 41.5 -2.1 86 87 A Q H 3> + 0 0 151 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.859 65.7 52.2 -41.7 -53.9 5.0 43.0 -0.5 87 88 A A H 3> S+ 0 0 69 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.893 111.1 46.9 -54.2 -42.0 3.7 39.6 0.9 88 89 A M H <> S+ 0 0 60 -3,-0.9 4,-2.4 2,-0.2 -1,-0.2 0.795 106.6 58.3 -78.0 -23.7 7.0 38.8 2.6 89 90 A V H X S+ 0 0 11 -4,-2.0 4,-2.0 2,-0.2 5,-0.2 0.975 106.8 47.4 -61.7 -49.1 7.2 42.1 4.0 90 91 A I H X S+ 0 0 86 -4,-2.2 4,-2.8 1,-0.3 5,-0.3 0.921 112.3 51.3 -54.5 -45.1 3.9 41.5 5.7 91 92 A E H X S+ 0 0 105 -4,-2.1 4,-2.4 1,-0.2 -1,-0.3 0.864 107.6 49.9 -59.7 -47.7 5.1 38.2 6.9 92 93 A A H X>S+ 0 0 0 -4,-2.4 5,-3.3 -3,-0.2 4,-1.3 0.783 112.0 49.5 -63.2 -35.7 8.3 39.6 8.4 93 94 A I H <5S+ 0 0 66 -4,-2.0 3,-0.3 2,-0.2 -2,-0.2 0.920 110.1 49.1 -71.9 -37.6 6.3 42.2 10.2 94 95 A K H <5S+ 0 0 169 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.925 109.4 55.8 -66.5 -36.1 4.0 39.7 11.5 95 96 A A H <5S- 0 0 28 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.2 0.837 135.9 -84.5 -64.4 -25.3 7.0 37.9 12.4 96 97 A G T <5S+ 0 0 14 -4,-1.3 -19,-0.4 -3,-0.3 -3,-0.2 0.449 77.1 142.1 140.3 -5.0 8.3 40.9 14.5 97 98 A A < - 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