==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 01-SEP-10 3OPF . COMPND 2 MOLECULE: PUTATIVE UNCHARACTERIZED PROTEIN TTHA0988; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR D.A.JACQUES,S.KURAMITSU,S.YOKOYAMA,J.TREWHELLA,J.M.GUSS,RIKE . 1471 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 58231.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 899 61.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 41 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 399 27.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 15 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 96 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 105 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 155 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 0.8 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 3 3 3 6 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 0 3 1 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 PARALLEL BRIDGES PER LADDER . 15 20 24 18 9 6 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 . 6 4 0 0 4 0 6 2 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 84 0, 0.0 2,-0.4 0, 0.0 52,-0.2 0.000 360.0 360.0 360.0 149.9 28.0 4.9 16.7 2 2 A V + 0 0 34 49,-0.1 2,-0.3 50,-0.1 49,-0.2 -0.997 360.0 176.6-135.0 135.9 29.9 8.2 17.0 3 3 A R E +A 50 0A 107 47,-2.5 47,-2.8 -2,-0.4 2,-0.3 -0.883 6.8 172.9-130.5 167.3 31.2 9.9 20.1 4 4 A G E -A 49 0A 29 -2,-0.3 2,-0.3 45,-0.3 45,-0.2 -0.981 13.1-162.8-162.6 172.3 33.3 13.1 20.6 5 5 A F E -A 48 0A 16 43,-2.2 43,-2.6 -2,-0.3 2,-0.4 -0.982 19.6-116.8-161.3 165.8 34.8 15.7 23.0 6 6 A Y E -A 47 0A 27 -2,-0.3 2,-0.4 41,-0.2 41,-0.2 -0.885 12.1-165.4-113.9 134.6 36.3 19.2 23.1 7 7 A L E -A 46 0A 3 39,-3.4 39,-3.6 -2,-0.4 2,-0.4 -0.948 13.6-165.0-108.6 140.1 39.7 20.4 24.0 8 8 A R E -AB 45 872A 54 864,-2.8 864,-2.6 -2,-0.4 37,-0.2 -0.995 18.6-179.6-129.9 132.6 40.1 24.1 24.7 9 9 A F E S- B 0 871A 27 35,-3.5 862,-0.2 1,-0.4 2,-0.2 0.287 70.4 -30.5-112.2 6.5 43.4 26.1 24.9 10 10 A G - 0 0 6 860,-0.9 -1,-0.4 34,-0.4 34,-0.3 -0.568 66.8 -94.4 146.7 150.4 42.0 29.6 25.6 11 11 A E S S+ 0 0 127 858,-1.1 6,-0.1 -2,-0.2 860,-0.0 -0.345 76.0 9.0 -88.8 163.1 39.0 31.8 25.0 12 12 A G S S- 0 0 40 1,-0.1 2,-1.3 -2,-0.1 32,-0.5 -0.129 113.6 -30.2 70.4-164.5 38.3 34.4 22.3 13 13 A V S S+ 0 0 34 30,-0.1 2,-0.4 31,-0.1 -1,-0.1 -0.695 80.8 160.8 -92.0 84.5 40.5 35.1 19.2 14 14 A S > - 0 0 43 -2,-1.3 4,-1.9 -4,-0.2 5,-0.2 -0.933 37.4-153.9-116.2 128.7 43.9 34.2 20.6 15 15 A E H > S+ 0 0 111 -2,-0.4 4,-2.0 2,-0.2 -1,-0.1 0.853 97.0 48.2 -66.5 -40.0 47.0 33.3 18.5 16 16 A E H > S+ 0 0 126 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.907 112.1 48.4 -68.7 -43.8 48.6 31.1 21.2 17 17 A A H > S+ 0 0 2 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.899 113.5 47.9 -63.1 -42.3 45.4 29.1 21.9 18 18 A N H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.887 107.8 55.7 -65.1 -40.2 44.9 28.6 18.2 19 19 A R H X S+ 0 0 36 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.904 109.5 47.0 -59.1 -43.4 48.5 27.5 17.7 20 20 A R H X S+ 0 0 51 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.940 112.8 47.1 -63.3 -50.6 48.1 24.8 20.4 21 21 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.862 114.4 49.1 -59.5 -37.1 44.8 23.5 18.9 22 22 A L H X S+ 0 0 2 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.826 103.2 59.7 -74.0 -35.3 46.4 23.5 15.5 23 23 A A H X S+ 0 0 3 -4,-2.0 4,-1.6 -5,-0.2 -1,-0.2 0.926 112.3 39.7 -58.7 -44.9 49.5 21.6 16.6 24 24 A L H X S+ 0 0 15 -4,-1.6 4,-2.6 2,-0.2 5,-0.2 0.931 115.5 50.4 -70.3 -48.5 47.4 18.7 17.8 25 25 A A H X S+ 0 0 1 -4,-2.1 4,-3.0 1,-0.2 5,-0.2 0.928 112.6 47.2 -55.4 -48.8 44.9 18.7 14.8 26 26 A E H X S+ 0 0 63 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.868 112.2 49.1 -63.9 -39.0 47.8 18.8 12.3 27 27 A A H X S+ 0 0 22 -4,-1.6 4,-1.1 -5,-0.3 -1,-0.2 0.902 114.9 45.7 -67.2 -41.2 49.7 15.9 14.0 28 28 A L H < S+ 0 0 4 -4,-2.6 3,-0.3 2,-0.2 -2,-0.2 0.925 113.8 47.6 -64.8 -47.4 46.5 13.8 14.2 29 29 A L H < S+ 0 0 44 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.836 107.0 57.6 -67.0 -32.6 45.5 14.6 10.5 30 30 A R H < S+ 0 0 137 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.846 129.7 11.4 -63.5 -35.8 49.1 13.8 9.3 31 31 A A S < S- 0 0 75 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.1 -0.614 83.5-170.1-145.3 77.5 48.8 10.3 10.8 32 32 A P - 0 0 54 0, 0.0 -3,-0.1 0, 0.0 3,-0.1 -0.577 18.6-130.8 -80.5 126.9 45.2 9.5 11.9 33 33 A P > - 0 0 27 0, 0.0 3,-2.2 0, 0.0 2,-0.1 -0.408 38.0 -90.7 -68.7 148.0 44.6 6.3 14.0 34 34 A P T 3 S+ 0 0 105 0, 0.0 3,-0.1 0, 0.0 16,-0.0 -0.406 117.2 37.6 -58.7 131.9 41.8 4.0 12.8 35 35 A G T 3 S+ 0 0 3 1,-0.4 16,-2.4 -2,-0.1 2,-0.6 0.092 81.9 121.3 108.1 -20.3 38.6 5.1 14.6 36 36 A L E < +C 50 0A 9 -3,-2.2 -1,-0.4 14,-0.2 14,-0.3 -0.692 33.5 176.2 -75.5 120.5 39.4 8.9 14.4 37 37 A L E - 0 0 5 12,-2.8 202,-3.5 -2,-0.6 203,-0.3 0.752 61.2 -6.3 -96.1 -32.3 36.5 10.5 12.5 38 38 A D E -C 49 0A 10 11,-1.6 11,-1.9 200,-0.2 -1,-0.3 -0.975 40.8-164.7-163.1 150.1 37.5 14.1 12.7 39 39 A A E -C 48 0A 0 -2,-0.3 9,-0.2 9,-0.2 203,-0.2 -0.862 26.1-179.1-138.6 100.0 40.0 16.6 14.2 40 40 A V E -C 47 0A 6 7,-2.7 7,-2.5 -2,-0.3 2,-0.4 -0.914 9.6-166.2-114.1 112.2 38.6 20.1 13.9 41 41 A P E +C 46 0A 6 0, 0.0 74,-0.4 0, 0.0 2,-0.3 -0.785 13.9 165.2 -92.9 136.9 40.4 23.2 15.1 42 42 A A E > -C 45 0A 0 3,-2.4 3,-2.2 -2,-0.4 72,-0.2 -0.873 66.1 -46.4-149.0 119.0 38.6 26.6 15.4 43 43 A Y T 3 S- 0 0 5 70,-3.1 -22,-0.2 -2,-0.3 -1,-0.1 -0.357 125.3 -20.2 52.8-130.7 40.2 29.5 17.4 44 44 A G T 3 S+ 0 0 1 -32,-0.5 -35,-3.5 -34,-0.3 -34,-0.4 0.206 119.6 99.5 -89.3 17.7 41.4 27.9 20.7 45 45 A V E < -AC 8 42A 14 -3,-2.2 -3,-2.4 -37,-0.2 2,-0.4 -0.854 48.9-169.8-110.1 137.4 39.1 24.9 20.4 46 46 A L E -AC 7 41A 0 -39,-3.6 -39,-3.4 -2,-0.4 2,-0.5 -0.990 6.5-165.1-122.9 122.7 39.8 21.4 19.2 47 47 A Y E -AC 6 40A 12 -7,-2.5 -7,-2.7 -2,-0.4 2,-0.4 -0.936 4.7-169.3-107.9 122.8 36.9 18.9 18.6 48 48 A L E -AC 5 39A 0 -43,-2.6 -43,-2.2 -2,-0.5 2,-0.4 -0.921 2.6-170.2-109.1 135.2 37.7 15.2 18.2 49 49 A E E +AC 4 38A 3 -11,-1.9 -12,-2.8 -2,-0.4 -11,-1.6 -0.986 15.4 170.2-122.4 140.4 35.1 12.7 17.0 50 50 A Y E -AC 3 36A 3 -47,-2.8 -47,-2.5 -2,-0.4 -14,-0.2 -0.947 38.6-115.5-147.4 158.9 35.8 8.9 17.2 51 51 A D >> - 0 0 28 -16,-2.4 4,-2.6 -2,-0.3 3,-1.0 -0.907 22.7-154.2 -99.6 109.9 34.3 5.5 16.8 52 52 A P T 34 S+ 0 0 36 0, 0.0 -1,-0.1 0, 0.0 -50,-0.1 0.804 90.5 61.6 -53.3 -37.7 34.4 3.7 20.2 53 53 A R T 34 S+ 0 0 114 1,-0.2 3,-0.1 -52,-0.2 -18,-0.0 0.874 119.2 25.1 -56.7 -41.9 34.4 0.2 18.7 54 54 A R T <4 S+ 0 0 148 -3,-1.0 2,-0.4 1,-0.3 -1,-0.2 0.689 133.8 29.1 -98.1 -24.4 37.8 0.9 16.9 55 55 A L S < S- 0 0 16 -4,-2.6 -1,-0.3 -20,-0.2 2,-0.1 -0.937 74.7-142.7-144.3 115.5 39.3 3.6 19.1 56 56 A S > - 0 0 62 -2,-0.4 4,-2.2 -3,-0.1 5,-0.2 -0.433 22.8-120.6 -77.3 151.9 38.6 3.9 22.9 57 57 A R H > S+ 0 0 77 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.900 115.2 51.0 -53.7 -44.3 38.2 7.3 24.6 58 58 A G H > S+ 0 0 51 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.887 109.4 48.5 -62.3 -42.8 41.2 6.4 26.8 59 59 A R H > S+ 0 0 41 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.879 111.1 50.2 -68.0 -39.4 43.5 5.4 24.0 60 60 A L H X S+ 0 0 0 -4,-2.2 4,-1.5 1,-0.2 3,-0.4 0.929 108.6 51.9 -63.8 -46.4 42.8 8.6 21.9 61 61 A L H X S+ 0 0 31 -4,-2.0 4,-1.1 1,-0.2 -1,-0.2 0.821 106.7 54.2 -61.7 -33.7 43.5 10.9 24.9 62 62 A R H X S+ 0 0 65 -4,-1.4 4,-1.2 1,-0.2 -1,-0.2 0.827 104.6 54.5 -69.8 -34.4 46.8 9.2 25.5 63 63 A L H X S+ 0 0 74 -4,-1.3 4,-1.6 -3,-0.4 -2,-0.2 0.891 102.6 57.6 -61.8 -41.4 47.9 9.8 21.9 64 64 A L H < S+ 0 0 8 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.838 105.4 49.4 -62.0 -35.9 47.2 13.5 22.3 65 65 A K H < S+ 0 0 88 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.824 109.1 54.1 -70.7 -32.9 49.7 13.8 25.2 66 66 A G H < S+ 0 0 68 -4,-1.2 -2,-0.2 -3,-0.1 -1,-0.2 0.811 92.4 87.2 -70.1 -32.5 52.3 12.0 23.1 67 67 A L S < S- 0 0 47 -4,-1.6 -43,-0.1 1,-0.1 -44,-0.0 -0.336 87.2-102.4 -70.2 151.6 52.0 14.4 20.2 68 68 A P - 0 0 80 0, 0.0 -41,-0.1 0, 0.0 -1,-0.1 -0.281 12.4-135.1 -75.9 161.5 54.2 17.6 20.2 69 69 A Q S S+ 0 0 130 2,-0.1 2,-0.3 -46,-0.0 -46,-0.2 0.364 79.8 81.8 -95.9 2.5 53.0 21.1 21.1 70 70 A E S S- 0 0 72 -47,-0.1 2,-0.2 -48,-0.1 -50,-0.0 -0.792 77.1-120.4-109.4 151.6 54.8 22.8 18.1 71 71 A R 0 0 77 -2,-0.3 -48,-0.1 1,-0.1 -2,-0.1 -0.522 360.0 360.0 -82.8 156.8 53.8 23.1 14.5 72 72 A A 0 0 147 -2,-0.2 -1,-0.1 -49,-0.1 -46,-0.0 -0.216 360.0 360.0 -86.0 360.0 56.0 21.7 11.7 73 ! 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 74 76 A R 0 0 124 0, 0.0 118,-3.4 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 130.0 52.6 29.9 4.8 75 77 A V E -i 192 0B 74 116,-0.2 2,-0.5 118,-0.1 118,-0.2 -0.898 360.0-164.6-107.9 113.5 51.5 33.3 3.5 76 78 A V E -i 193 0B 19 116,-3.6 118,-2.0 -2,-0.6 2,-0.5 -0.854 10.8-143.7-100.4 128.6 48.8 33.3 0.9 77 79 A E E -i 194 0B 127 -2,-0.5 118,-0.2 116,-0.2 116,-0.0 -0.778 12.6-163.2 -91.3 128.6 48.2 36.5 -1.2 78 80 A I E -i 195 0B 0 116,-2.8 118,-2.1 -2,-0.5 2,-0.3 -0.940 9.4-146.6-115.7 110.1 44.5 37.2 -2.0 79 81 A P E -i 196 0B 35 0, 0.0 94,-3.1 0, 0.0 2,-0.4 -0.612 22.5-169.8 -73.2 131.1 43.8 39.7 -4.9 80 82 A V E -iJ 197 172B 0 116,-2.9 118,-2.5 -2,-0.3 2,-0.6 -0.984 24.0-151.9-128.4 130.4 40.7 41.7 -4.1 81 83 A R E - J 0 171B 41 90,-2.6 90,-2.8 -2,-0.4 2,-2.0 -0.918 24.5-139.6 -90.4 120.4 38.6 44.1 -6.3 82 84 A Y + 0 0 17 -2,-0.6 88,-0.2 88,-0.3 20,-0.1 -0.440 62.7 123.1 -87.2 69.0 37.1 46.5 -3.7 83 85 A D + 0 0 79 -2,-2.0 87,-0.3 4,-0.0 -1,-0.2 -0.024 33.9 152.7-112.8 24.8 33.6 46.7 -5.3 84 86 A G > - 0 0 11 85,-2.0 3,-1.4 1,-0.1 85,-0.1 -0.278 50.7-131.1 -66.2 143.8 31.7 45.6 -2.3 85 87 A E T 3 S+ 0 0 146 1,-0.3 4,-0.3 2,-0.1 -1,-0.1 0.760 107.3 48.7 -66.1 -25.9 28.1 46.8 -1.9 86 88 A D T 3> S+ 0 0 2 82,-1.7 4,-3.1 1,-0.2 5,-0.3 0.353 80.1 102.1 -94.7 4.9 28.8 47.8 1.7 87 89 A L H <> S+ 0 0 15 -3,-1.4 4,-2.3 81,-0.4 5,-0.2 0.936 85.4 42.3 -60.4 -48.6 32.0 49.8 1.0 88 90 A P H > S+ 0 0 79 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.914 116.5 49.6 -61.4 -41.1 30.3 53.2 1.2 89 91 A E H > S+ 0 0 77 -4,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.897 111.2 48.2 -64.4 -43.5 28.3 52.3 4.2 90 92 A V H X S+ 0 0 0 -4,-3.1 4,-1.8 2,-0.2 6,-0.2 0.945 113.3 49.0 -61.9 -47.6 31.3 50.9 6.1 91 93 A A H X>S+ 0 0 2 -4,-2.3 5,-3.3 -5,-0.3 4,-0.6 0.928 115.5 41.8 -55.8 -51.9 33.3 54.0 5.3 92 94 A S H ><5S+ 0 0 92 -4,-2.5 3,-0.9 1,-0.2 -1,-0.2 0.921 112.7 53.0 -67.5 -44.1 30.6 56.5 6.4 93 95 A R H 3<5S+ 0 0 188 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.820 116.9 39.2 -60.8 -32.0 29.6 54.5 9.5 94 96 A L H 3<5S- 0 0 49 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.406 112.7-115.3 -98.2 -0.7 33.2 54.5 10.7 95 97 A G T <<5S+ 0 0 69 -3,-0.9 2,-0.3 -4,-0.6 -3,-0.2 0.876 73.4 127.4 67.4 38.6 34.1 58.0 9.6 96 98 A L < - 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