==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 27-JUN-05 2CWY . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN TTHA0068; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR S.KISHISHITA,K.MURAYAMA,M.SHIROUZU,S.YOKOYAMA,RIKEN STRUCTUR . 94 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5761.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 72 76.6 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 . 2 2.1 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 1.1 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 . 3 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 55 58.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 3.2 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 0 0 0 0 0 1 0 1 1 0 1 0 0 0 0 0 0 1 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 . 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 0 0 ANTIPARALLEL 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 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 X 0 0 217 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 128.8 15.0 18.4 7.9 2 2 A V - 0 0 88 1,-0.1 75,-0.0 75,-0.0 25,-0.0 -0.894 360.0 -68.6-134.5 162.7 16.8 21.7 8.7 3 3 A P - 0 0 8 0, 0.0 2,-1.1 0, 0.0 3,-0.1 -0.119 36.0-128.1 -53.6 147.4 18.1 23.1 12.0 4 4 A D >> - 0 0 97 1,-0.2 4,-2.0 -3,-0.0 3,-0.7 -0.868 26.4-163.2 -93.0 98.5 15.6 24.1 14.7 5 5 A W H 3> S+ 0 0 19 -2,-1.1 4,-3.0 1,-0.2 5,-0.3 0.752 82.5 64.8 -60.9 -23.3 17.2 27.6 15.1 6 6 A E H 3> S+ 0 0 120 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.941 108.0 41.7 -64.0 -43.2 15.5 28.1 18.4 7 7 A E H <> S+ 0 0 131 -3,-0.7 4,-1.8 2,-0.2 -2,-0.2 0.919 115.5 49.7 -67.2 -43.9 17.5 25.2 19.8 8 8 A V H X S+ 0 0 5 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.922 111.4 47.1 -63.5 -44.4 20.7 26.3 18.0 9 9 A L H X S+ 0 0 37 -4,-3.0 4,-2.7 1,-0.2 -1,-0.2 0.773 106.6 61.5 -68.7 -22.8 20.5 29.9 19.2 10 10 A G H X S+ 0 0 28 -4,-1.1 4,-1.6 -5,-0.3 -1,-0.2 0.924 105.4 45.1 -66.8 -44.6 19.8 28.4 22.7 11 11 A L H <>S+ 0 0 31 -4,-1.8 5,-2.8 1,-0.2 -2,-0.2 0.922 113.4 51.3 -62.8 -44.1 23.2 26.7 22.6 12 12 A W H ><5S+ 0 0 6 -4,-2.1 3,-1.6 1,-0.2 -2,-0.2 0.902 108.4 50.4 -59.2 -45.0 24.7 30.0 21.3 13 13 A R H 3<5S+ 0 0 154 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.814 108.8 53.0 -63.8 -31.5 23.1 32.0 24.1 14 14 A A T 3<5S- 0 0 73 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.353 119.9-112.4 -85.3 6.0 24.5 29.5 26.6 15 15 A G T < 5S+ 0 0 6 -3,-1.6 2,-1.3 1,-0.2 3,-0.3 0.696 71.9 140.1 72.6 19.9 28.0 30.0 25.2 16 16 A R >< + 0 0 128 -5,-2.8 4,-1.8 1,-0.2 -1,-0.2 -0.482 14.1 154.2 -93.6 63.8 28.2 26.5 23.7 17 17 A Y H > + 0 0 15 -2,-1.3 4,-1.8 1,-0.2 -1,-0.2 0.863 69.5 50.4 -60.4 -42.1 29.9 27.6 20.5 18 18 A Y H > S+ 0 0 144 -3,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.880 108.8 54.0 -67.6 -33.6 31.7 24.4 19.7 19 19 A E H > S+ 0 0 56 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.893 104.3 54.4 -66.2 -38.6 28.4 22.5 20.2 20 20 A V H X S+ 0 0 0 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.938 109.0 49.9 -58.7 -43.9 26.7 24.8 17.6 21 21 A H H X S+ 0 0 59 -4,-1.8 4,-1.2 1,-0.2 -2,-0.2 0.936 112.7 45.2 -59.7 -48.9 29.4 23.8 15.2 22 22 A E H < S+ 0 0 120 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.876 111.8 51.9 -64.2 -39.8 28.9 20.1 15.9 23 23 A V H < S+ 0 0 55 -4,-2.8 4,-0.4 1,-0.2 -1,-0.2 0.841 111.8 46.4 -68.7 -32.1 25.1 20.3 15.7 24 24 A L H X S+ 0 0 0 -4,-1.9 4,-2.3 -5,-0.2 3,-0.5 0.669 89.8 83.8 -85.6 -17.6 25.2 22.0 12.3 25 25 A E H X S+ 0 0 97 -4,-1.2 4,-2.3 1,-0.2 -1,-0.2 0.900 88.4 51.5 -52.5 -47.1 27.8 19.8 10.6 26 26 A P H > S+ 0 0 71 0, 0.0 4,-0.8 0, 0.0 -1,-0.2 0.843 111.9 48.1 -60.3 -34.6 25.2 17.1 9.5 27 27 A Y H >> S+ 0 0 72 -3,-0.5 4,-1.1 -4,-0.4 3,-0.5 0.905 110.3 50.2 -71.5 -43.3 23.0 19.8 7.9 28 28 A W H 3< S+ 0 0 54 -4,-2.3 3,-0.4 1,-0.2 -1,-0.2 0.883 105.8 58.2 -62.0 -38.9 25.9 21.4 6.1 29 29 A L H 3< S+ 0 0 92 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.803 113.2 37.7 -61.9 -30.8 26.9 18.0 4.7 30 30 A K H << S+ 0 0 186 -4,-0.8 -1,-0.2 -3,-0.5 -2,-0.2 0.543 102.0 99.6 -96.5 -10.7 23.5 17.5 3.1 31 31 A A < - 0 0 18 -4,-1.1 2,-0.3 -3,-0.4 -3,-0.0 -0.270 50.8-162.5 -80.3 162.2 23.0 21.1 2.0 32 32 A T >> - 0 0 107 -2,-0.1 4,-1.6 0, 0.0 3,-1.0 -0.914 47.1 -20.1-138.0 164.1 23.5 22.8 -1.3 33 33 A G H 3> S+ 0 0 42 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 -0.011 125.3 1.9 44.2-126.6 24.0 26.3 -2.7 34 34 A E H 3> S+ 0 0 87 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.845 134.2 52.8 -59.4 -41.4 22.7 29.2 -0.5 35 35 A E H <> S+ 0 0 64 -3,-1.0 4,-2.5 2,-0.2 -1,-0.2 0.902 109.5 48.8 -62.5 -42.9 21.7 26.9 2.3 36 36 A R H X S+ 0 0 85 -4,-1.6 4,-2.4 2,-0.2 5,-0.2 0.909 111.7 50.1 -65.8 -39.2 25.1 25.3 2.4 37 37 A R H X S+ 0 0 85 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.938 110.4 49.7 -64.5 -44.8 26.8 28.7 2.4 38 38 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.939 111.2 48.8 -58.9 -48.5 24.5 29.9 5.3 39 39 A L H X S+ 0 0 1 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.924 112.9 46.6 -60.1 -44.3 25.3 26.8 7.4 40 40 A Q H X S+ 0 0 52 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.867 110.6 54.1 -66.9 -33.7 29.0 27.1 6.9 41 41 A G H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.930 110.6 44.6 -64.8 -46.0 28.9 30.8 7.7 42 42 A V H X S+ 0 0 2 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.902 112.6 53.2 -64.3 -40.7 27.1 30.2 11.0 43 43 A I H X S+ 0 0 11 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.917 109.5 48.6 -59.5 -43.3 29.5 27.4 11.7 44 44 A L H X S+ 0 0 16 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.807 109.4 51.7 -69.7 -30.6 32.5 29.7 11.1 45 45 A L H X S+ 0 0 1 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.926 112.0 46.6 -70.0 -44.5 31.1 32.4 13.4 46 46 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.940 112.2 51.5 -60.4 -44.9 30.6 29.9 16.1 47 47 A A H X S+ 0 0 13 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.863 106.3 54.8 -59.9 -38.0 34.2 28.6 15.5 48 48 A A H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.933 110.0 45.0 -62.4 -46.9 35.5 32.2 15.7 49 49 A L H X S+ 0 0 9 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.865 111.6 52.8 -67.0 -34.8 34.0 32.7 19.1 50 50 A H H X S+ 0 0 36 -4,-2.2 4,-1.0 2,-0.2 -2,-0.2 0.930 108.8 50.3 -65.0 -45.5 35.2 29.3 20.3 51 51 A Q H ><>S+ 0 0 48 -4,-2.5 5,-2.5 1,-0.2 3,-0.8 0.914 109.2 51.1 -59.2 -42.2 38.8 30.2 19.2 52 52 A R H ><5S+ 0 0 102 -4,-2.1 3,-1.6 1,-0.3 -1,-0.2 0.829 101.9 60.2 -67.3 -28.7 38.7 33.5 21.0 53 53 A R H 3<5S+ 0 0 160 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.788 105.4 50.0 -66.7 -26.0 37.5 31.7 24.2 54 54 A L T <<5S- 0 0 102 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.318 125.0-106.1 -92.5 7.5 40.8 29.8 24.1 55 55 A G T < 5S+ 0 0 71 -3,-1.6 -3,-0.2 1,-0.3 -2,-0.1 0.768 81.8 127.1 73.4 26.3 42.8 33.0 23.6 56 56 A R < - 0 0 142 -5,-2.5 -1,-0.3 -6,-0.2 -2,-0.1 -0.795 68.5 -78.6-114.8 156.8 43.3 32.2 19.9 57 57 A P + 0 0 107 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 -0.242 39.2 174.7 -56.2 135.1 42.6 34.4 16.8 58 58 A G > + 0 0 1 34,-0.1 4,-2.3 -7,-0.1 5,-0.2 0.521 60.1 84.7-116.7 -13.1 39.0 34.5 15.5 59 59 A L H > S+ 0 0 84 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.797 85.1 58.1 -63.7 -30.4 39.2 37.0 12.7 60 60 A R H > S+ 0 0 174 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.942 110.6 44.0 -64.3 -45.1 40.3 34.5 10.1 61 61 A N H > S+ 0 0 30 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.911 112.6 51.8 -64.4 -42.6 37.1 32.5 10.8 62 62 A L H X S+ 0 0 1 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.930 109.7 50.6 -60.2 -43.6 35.0 35.7 10.8 63 63 A R H X S+ 0 0 129 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.913 111.6 46.8 -60.1 -45.0 36.5 36.7 7.4 64 64 A K H X S+ 0 0 71 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.897 111.7 51.8 -65.2 -39.3 35.6 33.2 6.0 65 65 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.925 108.8 50.1 -61.9 -44.8 32.1 33.4 7.4 66 66 A E H X S+ 0 0 61 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.900 107.1 55.4 -61.2 -39.2 31.6 36.9 5.8 67 67 A A H < S+ 0 0 63 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.878 112.2 43.0 -61.1 -38.2 32.8 35.5 2.5 68 68 A R H < S+ 0 0 73 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.860 116.9 45.1 -75.8 -37.5 30.1 32.8 2.7 69 69 A L H >< S+ 0 0 2 -4,-2.4 3,-2.2 -5,-0.1 -2,-0.2 0.711 84.0 115.6 -81.0 -21.3 27.3 35.0 3.9 70 70 A E T 3< S+ 0 0 129 -4,-2.1 -4,-0.0 1,-0.3 -3,-0.0 -0.272 86.1 6.5 -54.5 122.1 27.9 37.8 1.5 71 71 A G T 3 S+ 0 0 63 1,-0.3 -1,-0.3 -2,-0.1 -2,-0.1 0.416 92.4 135.1 87.4 -2.6 25.0 38.2 -0.9 72 72 A L < - 0 0 9 -3,-2.2 -1,-0.3 1,-0.1 2,-0.1 -0.462 60.5-109.9 -77.8 151.6 22.7 35.7 0.7 73 73 A P - 0 0 59 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.444 43.2-105.1 -75.3 159.8 19.1 36.8 1.2 74 74 A C S S+ 0 0 53 -2,-0.1 2,-0.2 6,-0.1 6,-0.1 -0.991 97.1 29.9-140.6 131.1 18.0 37.4 4.9 75 75 A P S S+ 0 0 89 0, 0.0 2,-0.3 0, 0.0 5,-0.2 0.583 80.5 174.3 -74.0 173.4 16.4 35.7 6.6 76 76 A L B > +A 79 0A 20 3,-1.7 3,-1.8 -2,-0.2 5,-0.1 -0.984 65.4 2.9-146.4 135.1 17.3 32.3 5.1 77 77 A X T 3 S- 0 0 45 -2,-0.3 -72,-0.2 1,-0.3 3,-0.1 0.696 132.0 -59.7 61.8 19.7 16.3 28.9 6.4 78 78 A G T 3 S+ 0 0 72 1,-0.2 2,-0.4 -74,-0.1 -1,-0.3 0.594 112.4 119.5 85.2 13.3 14.3 30.7 9.1 79 79 A L B < -A 76 0A 6 -3,-1.8 -3,-1.7 -74,-0.0 2,-1.7 -0.933 61.2-144.9-118.2 131.7 17.4 32.5 10.5 80 80 A D >> + 0 0 92 -2,-0.4 4,-1.3 -5,-0.2 3,-0.7 -0.648 31.0 170.8 -87.5 80.7 18.1 36.2 10.8 81 81 A W H 3> + 0 0 2 -2,-1.7 4,-3.0 1,-0.2 5,-0.3 0.759 66.4 68.9 -67.1 -25.5 21.8 35.7 10.1 82 82 A R H 3> S+ 0 0 121 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.908 102.9 46.6 -58.5 -39.8 22.5 39.4 9.8 83 83 A S H <> S+ 0 0 57 -3,-0.7 4,-2.5 2,-0.2 -1,-0.2 0.906 112.3 49.0 -67.7 -42.7 21.8 39.7 13.5 84 84 A L H X S+ 0 0 9 -4,-1.3 4,-2.6 2,-0.2 -2,-0.2 0.899 112.3 48.0 -64.0 -42.1 23.9 36.8 14.4 85 85 A L H X S+ 0 0 4 -4,-3.0 4,-2.7 2,-0.2 -1,-0.2 0.895 110.1 53.4 -65.5 -39.6 26.8 38.1 12.3 86 86 A Q H X S+ 0 0 91 -4,-2.1 4,-2.2 -5,-0.3 -2,-0.2 0.925 110.8 46.5 -60.3 -44.5 26.4 41.5 14.0 87 87 A E H X S+ 0 0 59 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.937 111.9 49.8 -64.5 -47.2 26.6 39.9 17.4 88 88 A A H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 6,-0.2 0.926 110.0 51.8 -56.8 -46.8 29.7 37.8 16.4 89 89 A R H X>S+ 0 0 82 -4,-2.7 5,-2.7 1,-0.2 4,-0.8 0.928 111.0 47.1 -57.1 -46.2 31.4 40.9 15.1 90 90 A R H ><5S+ 0 0 179 -4,-2.2 3,-1.0 1,-0.2 -2,-0.2 0.935 110.9 50.9 -63.6 -43.9 30.8 42.8 18.3 91 91 A R H 3<5S+ 0 0 143 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.809 113.5 46.4 -62.4 -29.6 32.0 40.0 20.5 92 92 A L H 3<5S- 0 0 6 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.542 111.6-119.8 -89.0 -8.0 35.2 39.8 18.4 93 93 A G T <<5 0 0 71 -3,-1.0 -3,-0.2 -4,-0.8 -2,-0.1 0.732 360.0 360.0 74.1 22.4 35.7 43.5 18.4 94 94 A A < 0 0 81 -5,-2.7 -4,-0.2 -6,-0.2 -5,-0.1 0.925 360.0 360.0 -94.2 360.0 35.4 43.5 14.6