==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 15-JAN-10 3LEV . COMPND 2 MOLECULE: RNA POLYMERASE SIGMA FACTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS AQUATICUS; . AUTHOR G.OFEK,F.J.GUENAGA,W.R.SCHIEF,J.SKINNER,D.BAKER,R.WYATT,P.D. . 628 3 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29785.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 428 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 175 27.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.8 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 . 61 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 98 15.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 0 1 1 1 0 1 2 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 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 PARALLEL BRIDGES PER LADDER . 6 8 6 2 3 8 2 0 1 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 . 3 1 3 3 1 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 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 0 108 0, 0.0 5,-0.2 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 125.4 -12.1 -5.9 -6.9 2 94 A D >> - 0 0 99 1,-0.2 3,-3.6 2,-0.1 4,-1.3 -0.175 360.0-122.5 -43.7 127.2 -14.3 -7.8 -4.4 3 95 A P H 3>>S+ 0 0 61 0, 0.0 4,-2.4 0, 0.0 5,-0.9 0.645 107.4 85.3 -51.3 -14.3 -12.0 -9.9 -2.2 4 96 A V H 345S+ 0 0 53 1,-0.2 -2,-0.1 3,-0.2 4,-0.0 0.717 107.7 23.8 -57.4 -20.3 -14.2 -12.8 -3.6 5 97 A R H <>5S+ 0 0 154 -3,-3.6 4,-1.7 3,-0.1 -1,-0.2 0.671 121.4 56.8-113.3 -33.5 -11.6 -12.5 -6.4 6 98 A Q H X5S+ 0 0 83 -4,-1.3 4,-1.3 -5,-0.2 -2,-0.2 0.964 118.6 32.7 -62.4 -53.7 -8.7 -10.9 -4.6 7 99 A Y H >X5S+ 0 0 11 -4,-2.4 4,-1.9 2,-0.2 3,-1.0 0.991 118.2 51.8 -64.6 -62.3 -8.5 -13.7 -2.0 8 100 A L H 3>< S+ 0 0 3 -4,-1.9 3,-2.2 1,-0.3 105,-0.2 0.794 102.3 69.5 -73.5 -30.7 -5.1 -19.2 -2.8 12 104 A G T 3< S+ 0 0 35 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.468 98.4 54.9 -67.2 0.4 -5.9 -20.5 -6.3 13 105 A E T < S+ 0 0 115 -3,-1.0 2,-0.4 -4,-0.1 -1,-0.3 0.376 87.7 96.9-111.8 -1.8 -2.1 -20.2 -6.8 14 106 A V S < S- 0 0 25 -3,-2.2 2,-0.2 98,-0.1 102,-0.1 -0.735 70.7-132.2 -89.4 137.8 -1.2 -22.4 -3.8 15 107 A L - 0 0 25 -2,-0.4 2,-0.3 1,-0.1 -2,-0.1 -0.597 16.6-114.2 -90.7 149.7 -0.5 -26.1 -4.3 16 108 A E E -A 272 0A 65 256,-0.9 256,-2.2 -2,-0.2 2,-0.3 -0.603 33.7-117.4 -78.9 140.3 -1.9 -29.0 -2.4 17 109 A L E -A 271 0A 14 -2,-0.3 254,-0.3 254,-0.2 5,-0.1 -0.582 29.3-106.5 -80.5 139.2 0.6 -31.0 -0.3 18 110 A D > - 0 0 1 252,-3.3 4,-2.5 -2,-0.3 5,-0.2 -0.141 36.9-102.4 -54.4 157.4 1.2 -34.7 -1.0 19 111 A K H > S+ 0 0 19 1,-0.2 4,-1.6 2,-0.2 139,-0.2 0.881 124.4 33.7 -50.5 -44.5 -0.3 -37.2 1.4 20 112 A W H > S+ 0 0 12 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.670 111.0 62.5 -89.9 -19.7 3.1 -37.7 3.0 21 113 A A H > S+ 0 0 11 248,-0.2 4,-1.2 2,-0.2 -2,-0.2 0.840 108.5 45.6 -70.9 -34.2 4.3 -34.2 2.6 22 114 A E H >X S+ 0 0 10 -4,-2.5 4,-3.2 2,-0.2 3,-0.9 0.976 110.4 49.8 -68.4 -57.7 1.5 -33.1 4.8 23 115 A L H 3X S+ 0 0 36 -4,-1.6 4,-1.0 1,-0.3 -2,-0.2 0.788 111.0 53.5 -53.4 -28.1 2.0 -35.8 7.5 24 116 A G H 3X S+ 0 0 12 -4,-1.2 4,-1.4 2,-0.2 -1,-0.3 0.852 111.7 42.8 -74.1 -36.5 5.6 -34.7 7.5 25 117 A A H < S+ 0 0 70 -4,-0.9 3,-0.6 1,-0.2 4,-0.5 0.796 109.9 51.9 -66.7 -28.6 4.7 -31.0 17.0 31 123 A E H 3X S+ 0 0 118 -4,-1.5 4,-1.0 1,-0.2 3,-0.3 0.823 110.1 47.9 -75.0 -32.6 8.5 -30.8 17.0 32 124 A G T 3< S+ 0 0 0 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.243 111.5 53.2 -88.3 11.4 8.3 -27.0 16.9 33 125 A M T <4 S+ 0 0 49 -3,-0.6 -2,-0.2 2,-0.1 -1,-0.2 0.408 108.3 47.2-119.2 -11.1 5.8 -27.2 19.7 34 126 A E T > S+ 0 0 98 -4,-0.5 4,-0.8 -3,-0.3 -2,-0.2 0.628 109.4 54.5 -97.9 -23.8 8.0 -29.3 21.9 35 127 A A H X S+ 0 0 4 -4,-1.0 4,-1.7 2,-0.2 65,-0.2 0.594 103.1 57.8 -82.0 -14.0 10.9 -27.0 21.2 36 128 A I H 4 S+ 0 0 1 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.725 100.5 55.9 -84.6 -26.0 8.6 -24.2 22.4 37 129 A K H > S+ 0 0 84 -4,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.833 113.2 42.5 -68.5 -33.1 8.2 -26.0 25.7 38 130 A K H < S+ 0 0 97 -4,-0.8 -2,-0.2 2,-0.2 -1,-0.2 0.870 113.8 48.6 -80.1 -39.7 12.0 -25.9 26.0 39 131 A L T < S+ 0 0 6 -4,-1.7 4,-0.4 1,-0.2 3,-0.2 0.480 115.6 48.2 -80.3 -2.5 12.4 -22.3 24.8 40 132 A S T > S+ 0 0 0 -4,-0.4 2,-1.4 1,-0.1 4,-1.2 0.772 103.4 56.7-102.3 -42.2 9.7 -21.3 27.2 41 133 A E T < S+ 0 0 107 -4,-1.6 -1,-0.1 1,-0.2 5,-0.1 -0.389 116.1 37.7 -87.7 57.3 10.9 -23.0 30.4 42 134 A A T 4 S+ 0 0 63 -2,-1.4 -1,-0.2 3,-0.2 -2,-0.1 0.186 112.7 48.4-168.4 -46.8 14.3 -21.2 30.2 43 135 A T T 4 S- 0 0 34 -4,-0.4 -2,-0.1 2,-0.2 -3,-0.1 0.657 130.5 -78.8 -80.3 -19.9 13.6 -17.7 29.0 44 136 A G S < S- 0 0 48 -4,-1.2 -3,-0.2 1,-0.2 -1,-0.1 0.404 79.8 -12.8 121.6 110.3 11.0 -17.6 31.7 45 137 A L S S- 0 0 142 -3,-0.0 -3,-0.2 2,-0.0 -1,-0.2 0.233 89.9 -7.8 60.2 178.1 7.4 -19.0 31.9 46 138 A D - 0 0 113 -5,-0.1 4,-0.3 3,-0.1 3,-0.2 0.540 55.4-115.4 -63.0-174.6 5.0 -20.4 29.4 47 139 A Q S >> S+ 0 0 42 1,-0.2 3,-1.9 2,-0.1 4,-1.2 0.910 81.8 81.7 -87.8 -53.4 4.9 -20.7 25.6 48 140 A E H 3> S+ 0 0 80 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.652 92.5 58.1 -42.0 -34.0 2.2 -18.9 23.6 49 141 A L H 3> S+ 0 0 83 -3,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.966 109.6 44.1 -56.7 -53.9 4.1 -15.6 23.6 50 142 A I H <> S+ 0 0 7 -3,-1.9 4,-2.7 -4,-0.3 5,-0.3 0.890 110.9 55.6 -57.9 -42.5 7.1 -17.3 21.9 51 143 A R H X S+ 0 0 28 -4,-1.2 4,-1.9 1,-0.2 -1,-0.2 0.900 108.9 45.4 -60.7 -44.2 4.8 -19.1 19.5 52 144 A E H X S+ 0 0 70 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.838 112.7 52.3 -69.0 -34.1 3.1 -15.9 18.2 53 145 A V H >X S+ 0 0 15 -4,-1.8 4,-2.3 2,-0.2 3,-0.5 0.969 112.3 42.8 -65.8 -54.7 6.5 -14.2 17.9 54 146 A V H 3X S+ 0 0 7 -4,-2.7 4,-2.5 1,-0.2 5,-0.3 0.859 111.9 57.6 -58.6 -35.4 8.0 -16.9 15.8 55 147 A R H 3X S+ 0 0 40 -4,-1.9 4,-1.7 -5,-0.3 -1,-0.2 0.836 107.5 46.4 -64.0 -33.9 4.7 -17.0 13.9 56 148 A A H < S+ 0 0 68 -4,-2.3 3,-0.6 1,-0.2 4,-0.2 0.929 117.1 37.3 -56.2 -50.8 8.8 -13.8 12.1 58 150 A I H >< S+ 0 0 23 -4,-2.5 3,-1.4 1,-0.2 -2,-0.2 0.839 110.5 62.5 -69.1 -35.5 7.8 -16.7 9.7 59 151 A L H >< S+ 0 0 28 -4,-1.7 3,-0.8 -5,-0.3 -1,-0.2 0.627 85.5 78.7 -68.5 -12.2 4.6 -14.8 8.7 60 152 A G T << S+ 0 0 64 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.787 104.3 30.3 -66.7 -29.1 6.8 -12.0 7.3 61 153 A T T < S+ 0 0 124 -3,-1.4 -1,-0.2 -4,-0.2 -2,-0.2 0.128 89.1 135.9-117.3 18.3 7.5 -13.9 4.1 62 154 A A < - 0 0 23 -3,-0.8 3,-0.3 1,-0.1 -3,-0.1 -0.410 56.3-137.2 -69.2 142.1 4.3 -15.9 3.9 63 155 A A S S+ 0 0 81 1,-0.3 2,-0.4 -2,-0.1 -1,-0.1 0.738 100.6 39.2 -69.7 -23.4 2.7 -16.2 0.4 64 156 A I + 0 0 2 1,-0.1 -1,-0.3 -53,-0.0 3,-0.1 -0.854 63.0 158.9-132.0 97.8 -0.7 -15.6 2.1 65 157 A Q + 0 0 137 -2,-0.4 2,-1.0 -3,-0.3 -1,-0.1 0.755 59.5 72.9 -91.8 -28.0 -0.6 -13.0 4.9 66 158 A K + 0 0 92 -59,-0.0 -1,-0.2 2,-0.0 0, 0.0 -0.742 58.4 169.6 -94.6 94.9 -4.3 -12.1 5.1 67 159 A I > - 0 0 8 -2,-1.0 3,-1.9 3,-0.1 5,-0.2 -0.907 31.4-131.4-111.2 109.8 -6.2 -15.0 6.6 68 160 A P T 3 S+ 0 0 39 0, 0.0 3,-0.1 0, 0.0 72,-0.1 -0.359 92.2 25.9 -57.5 122.4 -9.9 -14.2 7.6 69 161 A G T 3 S+ 0 0 23 1,-0.3 2,-0.5 -2,-0.1 68,-0.1 0.102 91.4 114.5 109.6 -20.4 -10.6 -15.4 11.1 70 162 A L < - 0 0 31 -3,-1.9 2,-2.2 1,-0.1 -1,-0.3 -0.749 64.0-139.3 -88.9 124.0 -7.1 -15.1 12.5 71 163 A K - 0 0 204 -2,-0.5 2,-0.3 -3,-0.1 -1,-0.1 -0.481 23.4-159.6 -80.8 70.2 -6.6 -12.5 15.2 72 164 A E - 0 0 76 -2,-2.2 -3,-0.0 -5,-0.2 -2,-0.0 -0.355 9.3-172.2 -54.7 111.2 -3.2 -11.3 13.8 73 165 A K + 0 0 117 -2,-0.3 -1,-0.1 1,-0.2 -17,-0.1 -0.735 14.7 164.5-110.3 80.5 -1.6 -9.6 16.8 74 166 A P - 0 0 87 0, 0.0 -1,-0.2 0, 0.0 5,-0.1 0.950 17.3-168.5 -60.9 -54.3 1.5 -7.9 15.3 75 167 A D > - 0 0 68 1,-0.1 4,-1.2 3,-0.1 3,-0.5 0.996 18.4-144.7 51.7 74.9 2.3 -5.5 18.2 76 168 A P T 4 S+ 0 0 98 0, 0.0 4,-0.5 0, 0.0 -1,-0.1 0.666 95.8 40.8 -43.9 -25.3 4.9 -3.6 16.0 77 169 A K T > S+ 0 0 164 2,-0.1 4,-1.3 1,-0.1 3,-0.2 0.853 101.6 65.1 -92.6 -42.7 7.0 -3.1 19.2 78 170 A T H > S+ 0 0 29 -3,-0.5 4,-2.2 1,-0.2 5,-0.3 0.712 93.1 70.8 -55.4 -20.1 6.6 -6.5 20.9 79 171 A V H >X S+ 0 0 43 -4,-1.2 4,-3.1 2,-0.2 3,-0.6 0.996 103.7 33.6 -59.9 -71.5 8.5 -7.9 17.9 80 172 A E H 3> S+ 0 0 129 -4,-0.5 4,-1.3 1,-0.2 -1,-0.2 0.707 115.1 67.6 -57.9 -18.7 12.0 -6.5 18.6 81 173 A E H 3X S+ 0 0 108 -4,-1.3 4,-0.8 2,-0.2 -1,-0.2 0.951 115.0 20.5 -66.6 -53.2 11.0 -7.0 22.2 82 174 A V H << S+ 0 0 3 -4,-2.2 -2,-0.2 -3,-0.6 5,-0.2 0.701 117.0 67.8 -91.9 -23.1 10.9 -10.8 22.2 83 175 A D H >X S+ 0 0 23 -4,-3.1 4,-2.2 -5,-0.3 3,-0.7 0.939 108.9 37.6 -59.0 -48.6 13.1 -11.2 19.1 84 176 A G H 3X S+ 0 0 40 -4,-1.3 4,-0.8 1,-0.3 -1,-0.2 0.842 107.2 66.7 -70.6 -34.3 16.1 -9.9 21.1 85 177 A K H 3< S+ 0 0 126 -4,-0.8 -1,-0.3 -5,-0.2 -2,-0.2 0.064 116.3 26.9 -77.0 28.1 14.9 -11.7 24.2 86 178 A L H <4 S+ 0 0 14 -3,-0.7 -2,-0.2 -2,-0.1 -1,-0.2 0.390 101.8 71.5-149.1 -46.4 15.7 -14.9 22.3 87 179 A K H < S+ 0 0 117 -4,-2.2 2,-0.7 1,-0.2 -3,-0.1 0.660 95.3 64.5 -60.1 -14.7 18.4 -14.5 19.7 88 180 A S S < S+ 0 0 95 -4,-0.8 -1,-0.2 5,-0.0 6,-0.0 -0.702 76.8 120.7-112.5 79.6 20.9 -14.2 22.5 89 181 A L - 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