==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION/DNA 02-NOV-11 3UGP . COMPND 2 MOLECULE: RNA POLYMERASE SIGMA FACTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS AQUATICUS; . AUTHOR A.FEKLISTOV,S.A.DARST . 179 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10481.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 134 74.9 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 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 111 62.0 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+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 1 1 1 0 0 0 0 0 1 0 1 0 1 0 0 1 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 93 A S > 0 0 106 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 138.5 21.0 6.8 40.4 2 94 A D H > + 0 0 133 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.891 360.0 44.6 -69.8 -44.1 19.7 10.1 41.9 3 95 A P H > S+ 0 0 94 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.819 116.4 50.3 -67.9 -28.7 21.2 12.5 39.3 4 96 A V H > S+ 0 0 15 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.936 107.5 50.3 -73.7 -50.3 20.0 10.1 36.6 5 97 A R H X S+ 0 0 183 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.906 112.6 49.8 -50.5 -43.6 16.4 9.9 37.9 6 98 A Q H X S+ 0 0 93 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.874 110.3 49.1 -66.3 -39.8 16.5 13.7 38.0 7 99 A Y H X S+ 0 0 18 -4,-1.7 4,-2.4 2,-0.2 5,-0.3 0.938 111.3 48.8 -63.4 -48.9 17.7 13.9 34.4 8 100 A L H X S+ 0 0 60 -4,-3.1 4,-1.3 1,-0.2 -2,-0.2 0.867 110.9 52.6 -58.8 -37.4 15.1 11.4 33.2 9 101 A H H X S+ 0 0 105 -4,-2.1 4,-0.6 -5,-0.3 -1,-0.2 0.936 110.7 46.5 -63.0 -44.3 12.5 13.5 35.0 10 102 A E H >< S+ 0 0 76 -4,-2.1 3,-0.6 1,-0.2 4,-0.3 0.864 112.0 47.6 -70.2 -39.4 13.6 16.7 33.3 11 103 A I H >< S+ 0 0 6 -4,-2.4 3,-1.1 1,-0.2 105,-0.2 0.756 102.2 66.2 -73.9 -23.5 13.8 15.4 29.8 12 104 A G H 3< S+ 0 0 42 -4,-1.3 -1,-0.2 -5,-0.3 -2,-0.2 0.722 92.6 60.7 -70.7 -21.8 10.4 13.8 30.1 13 105 A Q T << S+ 0 0 137 -3,-0.6 -1,-0.3 -4,-0.6 -2,-0.2 0.660 82.7 97.5 -77.8 -15.6 8.8 17.2 30.4 14 106 A V S < S- 0 0 6 -3,-1.1 102,-0.1 -4,-0.3 101,-0.0 -0.650 75.8-133.0 -81.5 114.4 10.1 18.1 27.0 15 107 A P - 0 0 83 0, 0.0 2,-0.1 0, 0.0 -2,-0.1 -0.258 21.9-105.4 -66.4 149.9 7.3 17.6 24.4 16 108 A L - 0 0 109 1,-0.1 2,-0.2 98,-0.0 98,-0.1 -0.445 36.8-112.3 -69.0 146.6 7.9 15.7 21.2 17 109 A L - 0 0 29 96,-0.3 2,-0.1 -2,-0.1 -1,-0.1 -0.567 22.4-128.6 -74.5 141.4 8.1 17.8 18.0 18 110 A T > - 0 0 62 -2,-0.2 4,-2.2 1,-0.1 5,-0.1 -0.356 33.6-102.9 -71.6 169.4 5.5 17.5 15.2 19 111 A L H > S+ 0 0 80 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.907 123.7 51.9 -60.0 -41.5 6.8 16.9 11.7 20 112 A E H > S+ 0 0 131 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.862 110.1 45.9 -65.9 -40.7 6.1 20.6 11.0 21 113 A E H > S+ 0 0 97 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.924 111.4 55.4 -64.2 -44.4 8.1 21.9 14.0 22 114 A E H X S+ 0 0 10 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.910 109.7 44.0 -52.0 -51.6 10.9 19.5 13.1 23 115 A I H X S+ 0 0 50 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.920 113.5 51.7 -65.1 -42.1 11.2 20.8 9.5 24 116 A D H X S+ 0 0 61 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.928 113.5 43.7 -59.9 -46.3 11.1 24.4 10.7 25 117 A L H X S+ 0 0 17 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.949 113.3 50.8 -65.2 -48.3 13.8 23.8 13.3 26 118 A A H X S+ 0 0 6 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.846 110.1 51.6 -55.9 -37.4 16.0 21.8 10.8 27 119 A R H X S+ 0 0 98 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.902 108.1 50.2 -67.5 -41.7 15.6 24.7 8.3 28 120 A K H X S+ 0 0 57 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.840 108.6 53.5 -67.8 -32.5 16.7 27.3 10.8 29 121 A V H X S+ 0 0 10 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.940 109.8 46.5 -67.3 -47.4 19.7 25.1 11.7 30 122 A E H X S+ 0 0 84 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.936 114.8 48.1 -54.8 -50.3 20.8 24.9 8.0 31 123 A E H X S+ 0 0 106 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.865 109.8 52.2 -60.4 -41.0 20.2 28.7 7.7 32 124 A G H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.853 108.4 51.9 -63.9 -35.5 22.2 29.3 10.8 33 125 A M H X S+ 0 0 54 -4,-2.1 4,-1.1 2,-0.2 -2,-0.2 0.806 109.5 47.7 -73.0 -29.1 25.1 27.3 9.5 34 126 A E H X S+ 0 0 95 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.868 111.2 52.1 -77.5 -35.0 25.2 29.2 6.2 35 127 A A H X S+ 0 0 2 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.873 107.1 52.3 -63.4 -41.1 25.1 32.5 8.1 36 128 A I H X S+ 0 0 0 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.825 103.3 58.1 -71.2 -30.2 28.0 31.4 10.3 37 129 A K H X S+ 0 0 86 -4,-1.1 4,-2.5 2,-0.2 -1,-0.2 0.946 106.9 48.7 -57.5 -48.5 30.0 30.6 7.2 38 130 A K H X S+ 0 0 77 -4,-1.7 4,-1.8 1,-0.2 -2,-0.2 0.900 110.8 49.6 -60.2 -43.9 29.5 34.3 6.1 39 131 A L H X S+ 0 0 1 -4,-2.0 4,-2.0 2,-0.2 6,-0.4 0.848 110.0 52.3 -61.9 -37.1 30.6 35.5 9.6 40 132 A S H X S+ 0 0 23 -4,-2.1 4,-2.6 2,-0.2 5,-0.3 0.950 109.4 48.1 -62.9 -50.2 33.7 33.3 9.4 41 133 A E H < S+ 0 0 122 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.871 116.2 45.0 -57.9 -37.4 34.7 34.6 6.0 42 134 A A H < S+ 0 0 57 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.808 123.3 30.5 -82.6 -30.6 34.3 38.2 7.2 43 135 A T H < S- 0 0 42 -4,-2.0 -2,-0.2 2,-0.2 -3,-0.2 0.644 95.1-127.4-101.3 -20.3 36.0 38.0 10.6 44 136 A G < + 0 0 68 -4,-2.6 2,-0.2 1,-0.3 -4,-0.1 0.508 65.1 131.9 79.2 6.2 38.6 35.3 9.9 45 137 A L - 0 0 33 -6,-0.4 -1,-0.3 -5,-0.3 2,-0.2 -0.531 67.1 -86.8 -88.4 159.2 37.5 33.3 12.9 46 138 A D > - 0 0 99 -2,-0.2 4,-2.7 1,-0.1 3,-0.4 -0.430 28.9-134.4 -64.3 127.6 36.8 29.6 13.0 47 139 A Q H > S+ 0 0 80 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.887 107.9 46.9 -45.2 -49.6 33.3 28.6 12.1 48 140 A E H > S+ 0 0 56 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.838 110.2 53.9 -68.8 -30.6 33.0 26.2 15.0 49 141 A L H > S+ 0 0 47 -3,-0.4 4,-1.7 2,-0.2 -2,-0.2 0.932 110.7 45.5 -66.4 -45.0 34.4 28.8 17.3 50 142 A I H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.948 113.4 50.7 -60.2 -48.6 31.8 31.3 16.2 51 143 A R H X S+ 0 0 31 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.906 109.3 50.2 -53.2 -49.9 29.1 28.6 16.5 52 144 A E H X S+ 0 0 44 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.864 113.4 45.8 -59.3 -38.5 30.1 27.7 20.1 53 145 A V H X S+ 0 0 0 -4,-1.7 4,-1.2 2,-0.2 -2,-0.2 0.900 112.0 49.0 -76.8 -43.6 30.1 31.3 21.2 54 146 A V H < S+ 0 0 2 -4,-2.8 4,-0.5 1,-0.2 3,-0.4 0.902 112.2 51.4 -58.9 -41.6 26.8 32.1 19.6 55 147 A R H >X S+ 0 0 39 -4,-2.6 4,-1.4 -5,-0.2 3,-1.1 0.845 102.6 58.4 -62.6 -36.3 25.5 29.0 21.3 56 148 A A H 3< S+ 0 0 11 -4,-1.4 -1,-0.2 1,-0.3 4,-0.2 0.825 104.5 53.5 -65.9 -28.2 26.8 30.1 24.6 57 149 A K T 3< S+ 0 0 103 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.585 109.1 46.7 -82.9 -12.5 24.7 33.3 24.3 58 150 A I T X4 S+ 0 0 23 -3,-1.1 3,-1.7 -4,-0.5 -2,-0.2 0.635 87.1 85.1-104.5 -15.0 21.4 31.3 23.7 59 151 A L G >< S+ 0 0 12 -4,-1.4 3,-1.7 1,-0.3 -2,-0.1 0.681 73.7 76.9 -58.5 -19.7 21.8 28.8 26.5 60 152 A G G 3 S+ 0 0 71 1,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.864 100.2 41.0 -57.9 -36.3 20.2 31.4 28.8 61 153 A T G < S+ 0 0 136 -3,-1.7 -1,-0.3 -4,-0.1 2,-0.2 0.030 92.8 122.9-101.5 26.1 16.8 30.6 27.3 62 154 A A < - 0 0 15 -3,-1.7 3,-0.1 1,-0.1 -3,-0.0 -0.561 53.5-149.7 -87.8 153.7 17.5 26.8 27.2 63 155 A R S S+ 0 0 101 1,-0.3 2,-0.5 -2,-0.2 -1,-0.1 0.883 87.3 40.1 -90.3 -45.8 15.3 24.2 29.0 64 156 A I + 0 0 6 1,-0.2 -1,-0.3 44,-0.1 3,-0.2 -0.937 68.0 176.8-107.1 125.6 17.8 21.5 29.8 65 157 A Q + 0 0 108 -2,-0.5 2,-1.4 1,-0.2 -1,-0.2 0.945 65.6 43.1 -96.6 -62.6 21.2 22.9 30.9 66 158 A K S S- 0 0 154 6,-0.0 -1,-0.2 2,-0.0 6,-0.0 -0.666 71.7-177.6 -92.6 84.4 23.7 20.2 31.9 67 159 A I > - 0 0 13 -2,-1.4 3,-1.8 -3,-0.2 45,-0.0 -0.755 30.3-115.4 -88.1 120.9 23.2 17.7 29.1 68 160 A P T 3 S+ 0 0 19 0, 0.0 3,-0.1 0, 0.0 72,-0.1 -0.249 94.7 11.9 -58.1 132.7 25.5 14.6 29.6 69 161 A G T 3 S+ 0 0 20 1,-0.3 2,-0.3 71,-0.1 3,-0.0 0.451 94.7 129.8 83.1 1.1 28.2 14.1 27.0 70 162 A L < - 0 0 34 -3,-1.8 -1,-0.3 1,-0.1 71,-0.1 -0.719 67.7-100.2 -90.1 140.6 27.7 17.6 25.5 71 163 A K - 0 0 122 -2,-0.3 -4,-0.1 -3,-0.1 -1,-0.1 -0.301 42.3-115.7 -59.7 134.1 30.7 19.8 25.0 72 164 A E - 0 0 120 1,-0.1 -1,-0.1 -6,-0.0 3,-0.1 -0.346 33.5 -91.9 -72.7 150.0 31.2 22.5 27.6 73 165 A K - 0 0 103 1,-0.1 -1,-0.1 -18,-0.1 -20,-0.1 -0.236 49.7-104.4 -51.0 146.2 30.9 26.2 26.9 74 166 A P - 0 0 24 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 -0.283 54.7 -71.7 -67.1 166.8 34.2 27.8 26.1 75 167 A D >> - 0 0 90 1,-0.1 3,-2.1 -3,-0.1 4,-1.5 -0.408 45.6-118.0 -65.9 137.1 35.9 29.9 28.9 76 168 A P H 3> S+ 0 0 108 0, 0.0 4,-3.2 0, 0.0 5,-0.2 0.711 112.2 63.5 -50.0 -29.0 34.0 33.2 29.4 77 169 A K H 3> S+ 0 0 120 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.888 107.2 42.7 -65.2 -39.4 37.1 35.2 28.4 78 170 A T H <> S+ 0 0 39 -3,-2.1 4,-2.2 2,-0.2 5,-0.3 0.817 113.5 52.6 -73.7 -33.7 36.9 33.7 24.9 79 171 A V H X S+ 0 0 15 -4,-1.5 4,-3.1 2,-0.2 5,-0.3 0.965 110.1 47.9 -65.0 -49.4 33.2 34.1 24.8 80 172 A E H X S+ 0 0 141 -4,-3.2 4,-1.8 1,-0.2 -2,-0.2 0.895 113.8 47.2 -59.6 -41.9 33.5 37.8 25.7 81 173 A E H X S+ 0 0 101 -4,-1.7 4,-1.9 -5,-0.2 -1,-0.2 0.935 117.2 40.4 -67.6 -47.4 36.2 38.4 23.1 82 174 A V H X S+ 0 0 7 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.900 113.8 53.4 -70.2 -40.2 34.5 36.7 20.2 83 175 A D H X S+ 0 0 11 -4,-3.1 4,-2.7 -5,-0.3 5,-0.2 0.877 107.3 54.8 -58.7 -37.8 31.0 38.0 21.2 84 176 A G H X S+ 0 0 36 -4,-1.8 4,-1.6 -5,-0.3 -2,-0.2 0.935 106.1 49.2 -62.0 -48.9 32.6 41.5 21.1 85 177 A K H < S+ 0 0 98 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.849 114.1 47.4 -61.1 -32.1 33.9 41.0 17.5 86 178 A L H >< S+ 0 0 2 -4,-1.7 3,-2.0 1,-0.2 -2,-0.2 0.952 109.3 49.7 -76.9 -49.8 30.5 39.8 16.4 87 179 A K H 3< S+ 0 0 119 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.839 108.5 57.9 -56.1 -28.8 28.4 42.6 18.0 88 180 A S T 3< S+ 0 0 89 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.276 82.4 116.7 -89.5 9.7 30.7 45.1 16.4 89 181 A L S < S- 0 0 26 -3,-2.0 5,-0.1 1,-0.1 -3,-0.1 -0.443 71.8 -84.5 -79.7 160.6 30.3 44.0 12.9 90 182 A P >> - 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