==== 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 23-JUN-05 2CWQ . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN TTHA0727; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR K.ITO,R.ARAI,E.FUSATOMI,T.KAMO-UCHIKUBO,S.KAWAGUCHI,T.TERADA . 364 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20206.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 270 74.2 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 . 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 . 3 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 221 60.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.6 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 1 1 1 0 3 0 1 2 0 0 6 3 0 0 0 0 0 3 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 . 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 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 -9 A S 0 0 99 0, 0.0 56,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -7.1 31.8 26.9 -6.2 2 -8 A G - 0 0 17 2,-0.2 4,-0.1 1,-0.1 50,-0.0 -0.120 360.0-104.8 -67.8 168.9 34.0 29.6 -4.7 3 -7 A L S S+ 0 0 3 1,-0.1 21,-0.3 45,-0.1 -1,-0.1 0.826 109.1 27.9 -64.2 -35.2 35.8 32.3 -6.8 4 -6 A V S S- 0 0 9 44,-0.1 -2,-0.2 1,-0.1 3,-0.1 -0.950 98.9 -94.3-126.8 150.0 39.1 30.4 -6.4 5 -5 A P > - 0 0 50 0, 0.0 3,-2.2 0, 0.0 4,-0.3 -0.062 55.9 -70.3 -60.8 159.6 39.7 26.6 -5.9 6 -4 A R T 3 S- 0 0 179 1,-0.3 46,-0.0 2,-0.1 0, 0.0 -0.236 116.6 -10.3 -50.0 129.7 40.1 24.8 -2.6 7 -3 A G T > S+ 0 0 37 1,-0.1 3,-1.7 -3,-0.1 -1,-0.3 0.614 88.7 138.8 51.6 18.8 43.5 25.7 -1.1 8 -2 A S G X + 0 0 0 -3,-2.2 3,-1.6 1,-0.3 9,-0.3 0.822 65.0 63.0 -63.7 -28.5 44.6 27.5 -4.2 9 -1 A H G 3 S+ 0 0 43 -4,-0.3 -1,-0.3 1,-0.3 40,-0.1 0.622 96.5 60.8 -72.2 -8.5 46.2 30.3 -2.2 10 1 A X G < S+ 0 0 127 -3,-1.7 -1,-0.3 39,-0.0 -2,-0.2 0.500 82.1 116.7 -92.5 -5.3 48.5 27.8 -0.7 11 2 A D S < S- 0 0 42 -3,-1.6 -3,-0.0 -4,-0.2 34,-0.0 -0.085 73.0-125.1 -60.0 161.4 50.0 26.9 -4.1 12 3 A R S S+ 0 0 236 2,-0.0 2,-0.3 0, 0.0 -1,-0.1 0.280 95.9 41.0 -93.5 9.3 53.7 27.5 -5.0 13 4 A T S S- 0 0 63 28,-0.0 3,-0.4 29,-0.0 4,-0.3 -0.942 81.6-125.1-145.3 159.0 52.8 29.6 -8.0 14 5 A H S > S+ 0 0 51 -2,-0.3 4,-2.4 1,-0.2 3,-0.2 0.539 84.9 100.3 -83.1 -8.9 50.0 32.2 -8.5 15 6 A E H > S+ 0 0 106 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.814 75.6 49.8 -50.1 -45.1 48.6 30.4 -11.5 16 7 A R H > S+ 0 0 104 -3,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.949 114.0 45.7 -63.5 -47.0 45.7 28.5 -10.0 17 8 A V H > S+ 0 0 0 -9,-0.3 4,-1.9 -4,-0.3 -2,-0.2 0.945 115.3 47.4 -58.6 -49.2 44.3 31.7 -8.3 18 9 A L H X S+ 0 0 34 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.905 112.1 49.4 -58.9 -46.4 44.8 33.7 -11.5 19 10 A Q H X S+ 0 0 96 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.876 109.6 50.7 -62.1 -42.4 43.2 31.1 -13.8 20 11 A A H X S+ 0 0 5 -4,-2.2 4,-3.2 -5,-0.2 -1,-0.2 0.886 112.3 47.2 -65.1 -39.6 40.1 30.7 -11.6 21 12 A X H X S+ 0 0 4 -4,-1.9 4,-2.6 2,-0.2 5,-0.4 0.923 113.2 46.9 -69.2 -43.0 39.5 34.4 -11.5 22 13 A A H X S+ 0 0 42 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.906 117.7 45.6 -62.7 -39.8 40.0 34.8 -15.2 23 14 A E H < S+ 0 0 127 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.910 119.0 38.7 -68.5 -47.5 37.7 31.9 -15.7 24 15 A N H < S+ 0 0 36 -4,-3.2 68,-0.2 -21,-0.3 -2,-0.2 0.727 126.3 34.8 -80.9 -22.1 35.0 33.0 -13.2 25 16 A L H >< S+ 0 0 3 -4,-2.6 3,-2.7 -5,-0.2 -3,-0.2 0.577 81.8 176.5-105.7 -17.0 35.1 36.7 -14.0 26 17 A G G >< S- 0 0 13 -4,-1.5 3,-2.0 -5,-0.4 -1,-0.2 -0.157 74.2 -0.1 49.7-130.9 35.7 36.5 -17.7 27 18 A E G 3 S+ 0 0 151 1,-0.3 -1,-0.3 61,-0.1 58,-0.1 0.641 130.0 67.8 -63.0 -14.1 35.7 40.0 -19.3 28 19 A G G < + 0 0 1 -3,-2.7 -1,-0.3 57,-0.2 -2,-0.2 0.389 66.8 125.5 -88.1 3.8 35.0 41.4 -15.8 29 20 A L < - 0 0 38 -3,-2.0 -7,-0.1 -7,-0.2 53,-0.0 -0.468 70.0-114.0 -61.9 125.5 38.5 40.4 -14.5 30 21 A P > - 0 0 28 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 -0.335 14.1-124.4 -63.9 146.5 39.9 43.7 -13.1 31 22 A R T 3> S+ 0 0 205 1,-0.3 4,-1.1 2,-0.2 -2,-0.1 0.815 108.8 64.3 -58.5 -33.2 43.0 45.0 -15.0 32 23 A A H 3> S+ 0 0 56 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.768 88.6 69.0 -64.8 -25.6 44.9 45.0 -11.7 33 24 A I H <> S+ 0 0 11 -3,-1.3 4,-2.5 2,-0.2 -1,-0.2 0.966 101.7 41.4 -62.1 -53.9 44.7 41.2 -11.3 34 25 A P H > S+ 0 0 60 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.884 114.3 55.0 -61.0 -34.8 47.0 40.2 -14.2 35 26 A L H X S+ 0 0 68 -4,-1.1 4,-3.3 2,-0.2 5,-0.4 0.908 107.7 48.5 -64.0 -39.7 49.3 43.1 -13.1 36 27 A L H X S+ 0 0 32 -4,-2.3 4,-2.9 2,-0.2 8,-0.3 0.932 107.6 55.3 -64.2 -46.7 49.5 41.6 -9.6 37 28 A A H < S+ 0 0 8 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.911 117.0 37.9 -50.5 -43.9 50.3 38.1 -11.1 38 29 A E H < S+ 0 0 140 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.940 132.2 21.6 -74.4 -50.8 53.2 39.8 -12.9 39 30 A K H < S+ 0 0 111 -4,-3.3 -3,-0.2 1,-0.2 -2,-0.2 0.686 137.1 17.1 -98.3 -19.6 54.5 42.2 -10.4 40 31 A A >X + 0 0 9 -4,-2.9 4,-1.5 -5,-0.4 3,-0.6 -0.413 61.8 162.4-151.2 63.7 53.3 41.1 -6.9 41 32 A P H 3> S+ 0 0 51 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.820 77.3 58.8 -57.3 -33.4 52.2 37.4 -7.2 42 33 A G H 3> S+ 0 0 45 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.892 104.8 50.5 -62.4 -39.7 52.4 37.0 -3.4 43 34 A L H <> S+ 0 0 8 -3,-0.6 4,-2.1 2,-0.2 -1,-0.2 0.849 107.3 54.6 -68.5 -30.5 49.8 39.8 -3.0 44 35 A L H X S+ 0 0 0 -4,-1.5 4,-2.2 -8,-0.3 -2,-0.2 0.921 109.7 46.3 -68.1 -41.6 47.6 38.0 -5.5 45 36 A L H X S+ 0 0 30 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.863 111.2 52.2 -67.9 -32.8 47.7 34.9 -3.4 46 37 A E H X S+ 0 0 16 -4,-2.0 4,-2.9 2,-0.2 -1,-0.2 0.888 107.0 53.7 -68.9 -35.7 47.0 36.9 -0.3 47 38 A H H X S+ 0 0 47 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.936 111.6 45.1 -60.8 -46.7 44.0 38.4 -2.1 48 39 A G H X S+ 0 0 1 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.899 112.3 50.9 -65.5 -39.3 42.8 34.8 -2.8 49 40 A R H X S+ 0 0 18 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.954 112.2 46.8 -62.1 -47.9 43.5 33.7 0.8 50 41 A S H X S+ 0 0 24 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.894 109.1 54.7 -62.7 -39.7 41.6 36.7 2.2 51 42 A W H X S+ 0 0 36 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.924 111.7 44.7 -59.8 -42.7 38.7 36.1 -0.2 52 43 A T H < S+ 0 0 35 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.813 107.4 57.6 -74.1 -29.0 38.4 32.5 1.0 53 44 A Y H < S+ 0 0 94 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.925 112.9 41.6 -64.5 -44.6 38.7 33.5 4.7 54 45 A A H < S+ 0 0 66 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.855 128.7 29.2 -70.3 -35.7 35.7 35.7 4.3 55 46 A X S < S- 0 0 30 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.1 -0.684 81.0-164.0-128.4 77.5 33.7 33.3 2.1 56 47 A P > - 0 0 59 0, 0.0 3,-0.8 0, 0.0 -3,-0.1 -0.263 35.3-107.7 -64.5 148.4 34.6 29.7 2.9 57 48 A E T 3 S+ 0 0 74 1,-0.3 2,-0.5 -5,-0.1 -51,-0.0 0.829 119.2 29.2 -42.9 -41.5 33.6 27.0 0.4 58 49 A K T 3 S+ 0 0 200 4,-0.0 -1,-0.3 2,-0.0 4,-0.1 -0.738 97.9 142.7-122.2 81.3 30.9 25.8 2.9 59 50 A G < - 0 0 37 -3,-0.8 -4,-0.1 -2,-0.5 -2,-0.0 -0.113 65.1 -80.1-105.5-156.9 30.0 29.0 4.7 60 51 A A S S+ 0 0 105 -2,-0.1 2,-0.3 2,-0.1 -5,-0.1 0.767 109.0 42.8 -81.0 -25.7 27.0 30.8 6.2 61 52 A L S S- 0 0 84 3,-0.0 -2,-0.4 2,-0.0 -1,-0.1 -0.912 82.9-117.6-123.7 149.7 25.8 32.3 3.0 62 53 A D > - 0 0 94 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.300 34.7-102.9 -79.8 168.2 25.3 30.8 -0.5 63 54 A E H > S+ 0 0 22 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.803 119.4 57.0 -61.6 -32.1 27.2 32.1 -3.6 64 55 A K H > S+ 0 0 94 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.977 110.7 43.2 -61.1 -55.6 24.2 34.0 -4.9 65 56 A T H > S+ 0 0 55 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.906 113.6 51.2 -57.3 -46.4 23.9 36.0 -1.7 66 57 A R H X S+ 0 0 14 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.928 111.5 47.9 -58.0 -46.0 27.6 36.6 -1.4 67 58 A T H X S+ 0 0 2 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.900 111.5 49.1 -63.5 -42.1 27.8 37.9 -5.0 68 59 A L H X S+ 0 0 28 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.851 110.6 50.8 -68.2 -33.4 24.8 40.2 -4.6 69 60 A I H X S+ 0 0 82 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.957 113.2 45.6 -66.1 -49.1 26.2 41.6 -1.3 70 61 A L H X S+ 0 0 47 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.880 113.9 50.2 -59.1 -39.3 29.5 42.3 -3.1 71 62 A L H X S+ 0 0 11 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.909 109.8 49.6 -66.6 -44.5 27.6 43.8 -6.1 72 63 A G H X S+ 0 0 15 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.937 112.1 48.0 -60.2 -47.1 25.6 46.0 -3.9 73 64 A I H X S+ 0 0 95 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.944 110.2 51.8 -59.5 -46.2 28.7 47.3 -2.1 74 65 A A H X>S+ 0 0 3 -4,-2.4 5,-2.2 1,-0.2 4,-0.7 0.909 112.9 45.3 -56.5 -46.7 30.5 47.9 -5.4 75 66 A L H ><5S+ 0 0 57 -4,-2.3 3,-0.7 1,-0.2 -1,-0.2 0.933 113.8 48.4 -64.2 -47.4 27.6 49.9 -6.8 76 67 A A H 3<5S+ 0 0 24 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.817 118.0 40.8 -64.5 -31.4 27.1 52.0 -3.6 77 68 A T H 3<5S- 0 0 99 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.414 108.2-121.9 -96.3 -2.4 30.9 52.8 -3.3 78 69 A G T <<5 + 0 0 57 -3,-0.7 2,-1.2 -4,-0.7 -3,-0.2 0.859 50.4 161.4 67.1 33.7 31.4 53.4 -7.0 79 70 A S >< - 0 0 38 -5,-2.2 4,-2.5 -6,-0.2 -1,-0.2 -0.753 18.4-171.5 -87.7 95.5 34.1 50.8 -7.4 80 71 A E H > S+ 0 0 158 -2,-1.2 4,-2.4 1,-0.2 5,-0.3 0.915 82.9 51.8 -54.5 -46.3 34.0 50.4 -11.2 81 72 A A H > S+ 0 0 51 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.892 112.9 44.6 -60.2 -41.3 36.3 47.4 -11.2 82 73 A C H > S+ 0 0 59 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.838 110.5 54.1 -72.7 -34.3 34.2 45.6 -8.6 83 74 A V H X S+ 0 0 37 -4,-2.5 4,-2.2 -9,-0.2 5,-0.2 0.968 113.2 42.8 -63.0 -47.0 30.9 46.4 -10.3 84 75 A K H X S+ 0 0 115 -4,-2.4 4,-2.0 -5,-0.2 5,-0.2 0.918 115.2 50.1 -64.8 -42.2 32.1 44.9 -13.6 85 76 A A H X S+ 0 0 4 -4,-2.1 4,-2.2 -5,-0.3 -1,-0.2 0.933 114.1 42.9 -62.8 -47.3 33.7 41.9 -11.9 86 77 A X H X S+ 0 0 12 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.803 110.1 57.0 -72.2 -27.3 30.6 41.1 -9.8 87 78 A A H X S+ 0 0 43 -4,-2.2 4,-2.1 -5,-0.3 -1,-0.2 0.933 113.0 40.6 -66.9 -43.8 28.2 41.6 -12.8 88 79 A H H X S+ 0 0 42 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.861 113.2 54.3 -71.2 -34.8 30.2 39.1 -14.8 89 80 A R H X S+ 0 0 5 -4,-2.2 4,-1.8 -5,-0.2 -2,-0.2 0.955 110.3 47.3 -61.2 -48.1 30.5 36.8 -11.8 90 81 A A H X>S+ 0 0 0 -4,-2.7 5,-2.5 2,-0.2 4,-0.6 0.898 110.4 52.5 -60.5 -42.1 26.7 36.9 -11.4 91 82 A K H ><5S+ 0 0 152 -4,-2.1 3,-1.3 1,-0.2 -1,-0.2 0.946 109.3 48.7 -60.5 -48.6 26.2 36.3 -15.1 92 83 A R H 3<5S+ 0 0 140 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.818 110.2 51.4 -63.8 -29.3 28.4 33.2 -15.0 93 84 A L H 3<5S- 0 0 64 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.576 113.5-122.4 -81.6 -8.2 26.5 31.9 -12.0 94 85 A G T <<5 + 0 0 61 -3,-1.3 -3,-0.2 -4,-0.6 -2,-0.1 0.821 44.1 176.0 73.6 29.5 23.3 32.4 -13.8 95 86 A L < - 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