==== 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 28-JUN-05 2CXD . COMPND 2 MOLECULE: CONSERVED HYPOTHETICAL PROTEIN, TTHA0068; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR S.KISHISHITA,K.MURAYAMA,M.SHIROUZU,S.YOKOYAMA,RIKEN STRUCTUR . 188 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9863.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 142 75.5 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 . 4 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 . 2 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 . 6 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 110 58.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 2 0 3 1 0 2 0 0 0 0 0 0 2 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 . 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 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 0 210 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 153.5 48.0 32.9 8.4 2 2 A V - 0 0 103 1,-0.0 75,-0.0 0, 0.0 25,-0.0 -0.955 360.0-100.9-131.5 150.5 50.2 34.4 11.2 3 3 A P - 0 0 8 0, 0.0 2,-1.2 0, 0.0 3,-0.1 -0.272 27.6-119.3 -69.3 156.0 49.5 37.4 13.5 4 4 A D >> - 0 0 91 1,-0.2 4,-2.2 2,-0.0 3,-1.2 -0.790 28.8-169.5 -94.4 90.4 51.0 40.8 12.9 5 5 A W H 3> S+ 0 0 19 -2,-1.2 4,-3.6 1,-0.3 5,-0.3 0.784 82.8 61.6 -54.1 -29.1 53.0 41.0 16.1 6 6 A E H 3> S+ 0 0 140 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.903 107.9 44.0 -64.9 -37.9 53.8 44.7 15.4 7 7 A E H <> S+ 0 0 103 -3,-1.2 4,-1.4 2,-0.2 -2,-0.2 0.936 116.7 46.0 -69.5 -46.7 50.0 45.3 15.6 8 8 A V H X S+ 0 0 4 -4,-2.2 4,-2.9 1,-0.2 3,-0.3 0.919 111.1 51.4 -62.5 -45.8 49.6 43.1 18.6 9 9 A L H X S+ 0 0 33 -4,-3.6 4,-2.7 1,-0.2 -1,-0.2 0.861 106.4 56.1 -61.1 -34.5 52.6 44.7 20.5 10 10 A G H X S+ 0 0 26 -4,-1.5 4,-1.1 -5,-0.3 -1,-0.2 0.854 111.4 42.7 -65.2 -35.2 51.1 48.1 19.8 11 11 A L H <>S+ 0 0 18 -4,-1.4 5,-2.6 -3,-0.3 4,-0.5 0.903 113.4 52.6 -75.5 -42.8 47.9 47.1 21.5 12 12 A W H ><5S+ 0 0 3 -4,-2.9 3,-1.3 1,-0.2 -2,-0.2 0.920 108.9 48.8 -57.8 -49.0 49.7 45.3 24.3 13 13 A R H 3<5S+ 0 0 159 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.848 109.7 52.6 -61.3 -36.3 51.9 48.4 25.1 14 14 A A T 3<5S- 0 0 56 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.552 116.5-116.6 -77.1 -7.9 48.8 50.6 25.1 15 15 A G T < 5 + 0 0 10 -3,-1.3 2,-1.8 -4,-0.5 3,-0.2 0.676 66.2 145.5 81.0 16.9 47.2 48.3 27.6 16 16 A R >< + 0 0 118 -5,-2.6 4,-1.6 1,-0.2 -1,-0.2 -0.518 13.3 160.9 -87.7 72.3 44.4 47.3 25.3 17 17 A Y H > + 0 0 15 -2,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.799 67.4 55.7 -65.2 -33.4 44.2 43.7 26.5 18 18 A Y H > S+ 0 0 148 -3,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.914 109.1 48.7 -66.3 -40.2 40.7 43.0 25.2 19 19 A E H > S+ 0 0 90 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.845 106.1 55.6 -68.0 -34.4 41.8 43.9 21.7 20 20 A V H X S+ 0 0 0 -4,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.939 109.8 48.8 -61.7 -43.3 45.0 41.8 22.0 21 21 A H H X S+ 0 0 51 -4,-1.8 4,-2.7 1,-0.2 -2,-0.2 0.938 108.7 51.9 -59.7 -50.0 42.6 38.9 22.8 22 22 A E H < S+ 0 0 87 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.873 112.3 46.0 -55.9 -41.8 40.3 39.7 19.8 23 23 A V H X S+ 0 0 30 -4,-2.2 4,-0.5 1,-0.2 -1,-0.2 0.920 118.5 39.9 -69.7 -44.3 43.2 39.7 17.4 24 24 A L H >X S+ 0 0 0 -4,-2.3 4,-2.7 -5,-0.2 3,-0.5 0.805 95.0 77.8 -79.5 -29.7 44.8 36.5 18.6 25 25 A E H 3X S+ 0 0 71 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.861 93.5 50.9 -50.0 -46.0 41.8 34.2 19.3 26 26 A P H 3> S+ 0 0 68 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.902 113.2 46.7 -60.4 -39.4 41.2 33.3 15.6 27 27 A Y H < S+ 0 0 49 -4,-2.7 3,-0.6 1,-0.2 -1,-0.2 0.918 106.4 54.7 -58.0 -46.4 44.8 30.4 18.4 29 29 A L H 3< S+ 0 0 92 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.859 115.5 38.3 -57.0 -38.9 41.7 28.4 17.4 30 30 A K H 3< S+ 0 0 184 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.550 100.7 100.6 -90.8 -7.6 43.3 27.3 14.1 31 31 A A << - 0 0 16 -4,-1.1 2,-0.3 -3,-0.6 -3,-0.0 -0.286 50.5-166.4 -78.1 163.0 46.8 26.8 15.6 32 32 A T >> - 0 0 115 -2,-0.0 4,-1.1 0, 0.0 3,-1.0 -0.927 46.8 -5.8-142.7 164.1 48.5 23.5 16.6 33 33 A G H 3> S- 0 0 47 -2,-0.3 4,-1.7 1,-0.2 3,-0.3 -0.150 125.0 -9.4 53.6-136.7 51.5 22.4 18.6 34 34 A E H 3> S+ 0 0 92 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.819 134.4 58.6 -64.8 -34.0 53.9 25.0 20.0 35 35 A E H <> S+ 0 0 96 -3,-1.0 4,-2.4 2,-0.2 -1,-0.2 0.874 107.0 48.2 -63.8 -37.2 52.3 27.8 18.0 36 36 A R H X S+ 0 0 85 -4,-1.1 4,-2.6 -3,-0.3 5,-0.2 0.904 111.5 49.6 -68.5 -41.5 49.0 27.1 19.7 37 37 A R H X S+ 0 0 84 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.887 111.6 49.9 -63.9 -39.3 50.7 27.1 23.1 38 38 A L H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.955 112.7 45.3 -63.4 -52.0 52.4 30.4 22.3 39 39 A L H X S+ 0 0 2 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.905 114.9 47.1 -59.2 -45.6 49.1 32.0 21.2 40 40 A Q H X S+ 0 0 32 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.896 109.7 54.9 -64.5 -40.5 47.2 30.8 24.2 41 41 A G H X S+ 0 0 0 -4,-2.3 4,-1.9 -5,-0.2 -2,-0.2 0.915 109.5 45.6 -59.5 -44.8 50.0 31.8 26.6 42 42 A V H X S+ 0 0 1 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.913 112.9 51.3 -65.1 -41.7 49.9 35.4 25.3 43 43 A I H X S+ 0 0 9 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.903 109.4 50.5 -60.9 -43.1 46.1 35.4 25.5 44 44 A L H X S+ 0 0 14 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.851 108.9 51.1 -65.9 -35.5 46.2 34.2 29.1 45 45 A L H X S+ 0 0 1 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.921 109.5 50.0 -67.9 -42.4 48.7 36.9 30.1 46 46 A A H X S+ 0 0 1 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.917 111.6 49.8 -60.1 -41.0 46.5 39.5 28.6 47 47 A A H X S+ 0 0 31 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.872 109.6 50.0 -64.9 -40.2 43.6 38.0 30.6 48 48 A A H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.908 112.9 46.7 -65.4 -42.5 45.6 38.0 33.8 49 49 A L H X S+ 0 0 8 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.860 110.8 51.7 -68.4 -37.1 46.6 41.7 33.3 50 50 A H H X S+ 0 0 62 -4,-2.3 4,-1.3 -5,-0.2 -1,-0.2 0.891 110.6 49.5 -66.2 -39.4 43.0 42.7 32.4 51 51 A Q H <>S+ 0 0 47 -4,-2.0 5,-2.9 2,-0.2 -2,-0.2 0.879 108.2 52.3 -67.0 -38.5 41.8 41.0 35.6 52 52 A R H ><5S+ 0 0 36 -4,-2.0 3,-2.0 1,-0.2 -1,-0.2 0.903 104.9 56.8 -63.9 -39.8 44.4 42.7 37.8 53 53 A R H 3<5S+ 0 0 146 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.875 105.8 50.4 -58.6 -36.8 43.2 46.1 36.3 54 54 A L T 3<5S- 0 0 97 -4,-1.3 -1,-0.3 2,-0.1 -2,-0.2 0.390 121.8-110.0 -81.9 3.5 39.7 45.2 37.5 55 55 A G T < 5S+ 0 0 46 -3,-2.0 -3,-0.2 1,-0.3 -2,-0.1 0.746 78.7 126.5 74.2 24.2 41.1 44.5 41.0 56 56 A R < - 0 0 152 -5,-2.9 -1,-0.3 -6,-0.1 -2,-0.1 -0.763 69.9 -78.9-114.3 160.0 40.4 40.8 40.6 57 57 A P + 0 0 58 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 -0.308 48.4 160.4 -57.7 128.7 42.6 37.6 40.9 58 58 A G > + 0 0 1 34,-0.1 4,-1.8 2,-0.1 3,-0.5 0.422 48.1 95.1-128.7 -4.6 44.8 37.0 37.9 59 59 A L H > S+ 0 0 8 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.710 82.3 59.5 -62.9 -20.7 47.5 34.7 39.2 60 60 A R H > S+ 0 0 135 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.891 106.8 44.9 -74.7 -40.4 45.5 31.6 38.0 61 61 A N H > S+ 0 0 32 -3,-0.5 4,-2.3 2,-0.2 -2,-0.2 0.832 112.0 55.7 -69.8 -32.3 45.6 32.8 34.4 62 62 A L H X S+ 0 0 0 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.923 106.5 47.0 -65.9 -48.5 49.3 33.6 34.9 63 63 A R H X S+ 0 0 26 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.906 113.3 49.9 -62.0 -39.9 50.3 30.1 36.0 64 64 A K H X S+ 0 0 80 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.924 110.8 50.1 -63.3 -43.4 48.3 28.7 33.1 65 65 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.918 109.3 51.7 -59.9 -44.4 50.1 31.1 30.8 66 66 A E H X S+ 0 0 17 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.865 108.0 51.1 -61.6 -38.2 53.5 30.0 32.3 67 67 A A H < S+ 0 0 61 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.864 111.6 48.1 -68.4 -35.0 52.7 26.3 31.7 68 68 A R H < S+ 0 0 78 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.886 119.1 38.5 -70.9 -39.3 51.8 27.1 28.1 69 69 A L H >< S+ 0 0 1 -4,-2.4 3,-2.2 -5,-0.2 -2,-0.2 0.706 87.7 118.3 -84.3 -22.0 55.0 29.1 27.5 70 70 A E T 3< S+ 0 0 89 -4,-2.1 -3,-0.0 1,-0.3 -4,-0.0 -0.224 87.0 2.5 -51.7 118.6 57.3 26.8 29.6 71 71 A G T 3 S+ 0 0 63 1,-0.3 -1,-0.3 -2,-0.0 -2,-0.1 0.441 92.3 140.2 85.2 -0.8 60.0 25.3 27.4 72 72 A L < - 0 0 2 -3,-2.2 -1,-0.3 1,-0.1 4,-0.0 -0.435 58.2-108.4 -75.4 148.2 59.1 27.1 24.2 73 73 A P - 0 0 62 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.398 41.9-112.5 -70.9 158.3 61.8 28.4 21.9 74 74 A C S S+ 0 0 40 6,-0.1 2,-0.2 7,-0.1 6,-0.1 -0.963 96.7 35.0-145.3 126.1 62.2 32.2 21.9 75 75 A P S S+ 0 0 93 0, 0.0 2,-0.3 0, 0.0 5,-0.2 0.516 80.8 173.0 -68.1 170.9 61.6 33.9 19.7 76 76 A L B > +A 79 0A 20 3,-1.6 3,-1.8 -2,-0.2 5,-0.1 -0.961 68.5 0.2-149.3 129.2 58.7 31.9 18.2 77 77 A X T 3 S- 0 0 46 -2,-0.3 -72,-0.2 1,-0.3 3,-0.1 0.759 132.1 -61.4 60.7 23.4 56.6 33.1 15.3 78 78 A G T 3 S+ 0 0 69 1,-0.2 2,-0.4 -73,-0.0 -1,-0.3 0.643 111.9 122.6 78.5 15.0 58.8 36.2 15.3 79 79 A L B < -A 76 0A 3 -3,-1.8 -3,-1.6 -74,-0.0 2,-1.4 -0.929 59.4-145.6-117.1 133.6 57.7 37.1 18.8 80 80 A D > + 0 0 74 -2,-0.4 4,-0.8 -5,-0.2 3,-0.3 -0.754 29.7 169.9 -91.2 88.6 59.9 37.6 21.9 81 81 A W H > + 0 0 8 -2,-1.4 4,-2.4 1,-0.2 -1,-0.2 0.759 64.4 69.9 -74.5 -25.9 57.4 36.2 24.3 82 82 A R H > S+ 0 0 115 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.867 96.8 52.8 -60.1 -38.0 59.8 36.1 27.3 83 83 A S H > S+ 0 0 51 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.887 109.5 49.3 -64.7 -38.3 59.8 39.9 27.4 84 84 A L H X S+ 0 0 14 -4,-0.8 4,-2.6 2,-0.2 -2,-0.2 0.901 111.8 48.1 -66.9 -41.7 56.0 39.9 27.6 85 85 A L H X S+ 0 0 10 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.926 111.6 50.1 -64.3 -43.8 56.0 37.3 30.4 86 86 A Q H X S+ 0 0 92 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.904 112.4 46.8 -61.3 -42.9 58.7 39.2 32.3 87 87 A E H X S+ 0 0 30 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.920 110.6 52.9 -65.1 -44.8 56.6 42.4 32.0 88 88 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 6,-0.2 0.916 107.2 52.0 -57.3 -45.3 53.4 40.7 33.0 89 89 A R H X>S+ 0 0 36 -4,-2.4 5,-2.4 2,-0.2 4,-0.6 0.892 109.9 49.2 -59.4 -41.3 55.1 39.3 36.2 90 90 A R H ><5S+ 0 0 160 -4,-1.7 3,-0.9 1,-0.2 -2,-0.2 0.946 113.6 45.3 -63.9 -48.1 56.3 42.8 37.2 91 91 A R H 3<5S+ 0 0 137 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.799 115.1 47.8 -65.1 -30.9 52.8 44.3 36.6 92 92 A L H 3<5S- 0 0 1 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.490 110.1-121.6 -89.3 -4.0 51.1 41.4 38.5 93 93 A G T <<5 0 0 14 -3,-0.9 -3,-0.2 -4,-0.6 -4,-0.1 0.771 360.0 360.0 69.3 25.7 53.6 41.6 41.4 94 94 A A < 0 0 7 -5,-2.4 -4,-0.2 -6,-0.2 -1,-0.1 -0.369 360.0 360.0-111.5 360.0 54.6 38.0 40.8 95 !* 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 96 1 B X 0 0 125 0, 0.0 29,-0.1 0, 0.0 30,-0.0 0.000 360.0 360.0 360.0 129.2 39.9 41.9 55.5 97 2 B V - 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