==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 28-JUL-05 2AHQ . COMPND 2 MOLECULE: RNA POLYMERASE SIGMA FACTOR RPON; . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR M.DOUCLEFF,L.T.MALAK,J.G.PELTON,D.E.WEMMER . 67 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5991.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 39 58.2 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 . 4 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 14.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 24 35.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.5 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 1 0 1 1 0 0 0 0 0 0 0 0 0 0 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 1 A T 0 0 175 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 50.5 7.6 12.7 15.0 2 2 A Y + 0 0 196 1,-0.4 0, 0.0 0, 0.0 0, 0.0 0.102 360.0 102.4-179.0 -43.1 5.7 11.8 11.8 3 3 A S + 0 0 67 0, 0.0 -1,-0.4 0, 0.0 2,-0.3 -0.288 43.6 144.8 -62.3 146.1 2.0 11.9 12.5 4 4 A L + 0 0 144 1,-0.3 0, 0.0 2,-0.1 0, 0.0 -0.949 36.1 22.6-175.1 160.6 0.1 14.9 11.2 5 5 A R S S- 0 0 167 -2,-0.3 -1,-0.3 2,-0.1 2,-0.0 0.238 87.4 -69.7 56.9 170.2 -3.2 16.0 9.8 6 6 A T - 0 0 115 -3,-0.1 2,-0.5 2,-0.1 -2,-0.1 -0.077 45.0-109.2 -82.4-173.6 -6.4 14.1 10.2 7 7 A F + 0 0 173 1,-0.1 -2,-0.1 -2,-0.0 -1,-0.0 -0.923 66.1 109.8-127.9 105.9 -7.4 10.7 8.8 8 8 A F + 0 0 189 -2,-0.5 -2,-0.1 1,-0.0 -1,-0.1 -0.304 25.2 120.6-175.2 79.0 -10.1 10.6 6.1 9 9 A V + 0 0 55 1,-0.1 5,-0.1 5,-0.0 -1,-0.0 -0.420 24.4 131.7-145.6 61.9 -9.1 9.7 2.6 10 10 A R + 0 0 162 1,-0.1 2,-1.0 3,-0.1 -1,-0.1 0.976 56.3 73.4 -77.0 -63.4 -11.0 6.6 1.6 11 11 A E S S- 0 0 164 -3,-0.0 40,-0.1 3,-0.0 -1,-0.1 -0.376 122.3 -39.8 -57.7 96.2 -12.3 7.7 -1.8 12 12 A S S S- 0 0 77 -2,-1.0 40,-0.2 38,-0.4 2,-0.1 0.398 87.6 -72.1 59.3 155.0 -9.1 7.4 -3.8 13 13 A A - 0 0 28 1,-0.1 2,-1.7 3,-0.1 -3,-0.1 -0.342 45.9-104.0 -76.5 160.7 -5.8 8.6 -2.4 14 14 A E - 0 0 129 1,-0.2 -1,-0.1 -5,-0.1 3,-0.1 -0.249 65.8 -88.8 -80.4 49.0 -5.0 12.3 -1.9 15 15 A G S S- 0 0 67 -2,-1.7 -1,-0.2 1,-0.1 -3,-0.0 0.698 71.7-176.2 51.9 19.5 -2.8 12.1 -5.0 16 16 A L - 0 0 36 1,-0.1 2,-0.2 2,-0.1 -1,-0.1 0.094 26.9 -98.8 -40.7 160.2 -0.1 11.1 -2.5 17 17 A T >> - 0 0 94 1,-0.1 4,-2.2 -3,-0.1 3,-0.5 -0.511 25.0-111.7 -87.2 156.6 3.4 10.7 -4.0 18 18 A Q H 3> S+ 0 0 141 1,-0.3 4,-1.4 2,-0.2 -1,-0.1 0.814 122.1 53.3 -54.1 -32.2 4.9 7.4 -4.9 19 19 A G H 3> S+ 0 0 42 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.856 105.5 52.1 -71.4 -37.2 7.3 8.0 -2.0 20 20 A E H <> S+ 0 0 97 -3,-0.5 4,-1.5 1,-0.2 -2,-0.2 0.873 107.1 52.9 -66.2 -38.8 4.4 8.5 0.4 21 21 A L H X S+ 0 0 9 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.880 104.0 59.0 -63.5 -39.4 2.8 5.3 -0.6 22 22 A M H X S+ 0 0 28 -4,-1.4 4,-2.7 1,-0.2 3,-0.4 0.964 109.0 40.3 -52.9 -61.8 6.0 3.5 0.1 23 23 A K H X S+ 0 0 108 -4,-1.7 4,-2.9 1,-0.3 -1,-0.2 0.791 113.3 59.4 -58.6 -28.2 6.2 4.5 3.7 24 24 A L H X S+ 0 0 30 -4,-1.5 4,-1.5 2,-0.2 -1,-0.3 0.913 107.5 43.4 -66.5 -44.3 2.5 3.8 3.7 25 25 A I H X S+ 0 0 9 -4,-2.8 4,-0.9 -3,-0.4 -2,-0.2 0.916 117.1 46.3 -66.5 -44.9 3.0 0.2 2.7 26 26 A K H >< S+ 0 0 119 -4,-2.7 3,-0.8 1,-0.2 -2,-0.2 0.884 107.6 58.1 -64.2 -39.9 5.9 -0.2 5.1 27 27 A E H >< S+ 0 0 102 -4,-2.9 3,-1.6 1,-0.3 4,-0.3 0.856 102.2 54.3 -57.7 -37.1 3.8 1.5 7.8 28 28 A I H >< S+ 0 0 38 -4,-1.5 3,-0.6 1,-0.3 -1,-0.3 0.770 106.9 51.5 -67.7 -26.3 1.2 -1.2 7.3 29 29 A V G X< S+ 0 0 34 -4,-0.9 3,-0.7 -3,-0.8 -1,-0.3 0.247 83.6 94.7 -92.7 10.7 4.0 -3.7 7.9 30 30 A E G < S+ 0 0 131 -3,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.786 104.3 16.9 -70.7 -28.6 4.8 -1.8 11.1 31 31 A N G < S+ 0 0 117 -3,-0.6 -1,-0.3 -4,-0.3 -2,-0.1 -0.304 92.6 149.0-139.6 49.8 2.6 -4.2 13.0 32 32 A E < - 0 0 81 -3,-0.7 2,-0.3 1,-0.1 -3,-0.1 0.422 38.1-119.9 -62.2-151.5 2.2 -7.1 10.6 33 33 A D - 0 0 87 1,-0.1 -1,-0.1 -4,-0.0 5,-0.0 -0.983 7.8-135.4-157.5 154.4 1.8 -10.7 11.8 34 34 A K S S+ 0 0 182 -2,-0.3 -1,-0.1 2,-0.2 -2,-0.0 0.923 113.8 35.4 -77.3 -48.3 3.5 -14.1 11.5 35 35 A R S S+ 0 0 238 1,-0.3 -1,-0.2 0, 0.0 0, 0.0 0.337 138.5 25.1 -86.3 5.9 0.4 -16.1 10.9 36 36 A K S S+ 0 0 138 2,-0.0 -1,-0.3 0, 0.0 -2,-0.2 -0.252 82.6 175.9-167.1 63.8 -0.9 -13.1 8.9 37 37 A P - 0 0 39 0, 0.0 2,-1.6 0, 0.0 5,-0.2 -0.354 42.0-112.0 -75.0 156.5 1.9 -10.9 7.6 38 38 A Y + 0 0 79 4,-0.1 5,-0.1 3,-0.1 29,-0.1 -0.402 55.1 168.7 -86.3 58.8 1.3 -7.9 5.4 39 39 A S >> - 0 0 51 -2,-1.6 4,-1.8 1,-0.1 3,-0.6 -0.112 58.3 -86.3 -65.9 168.7 2.8 -9.6 2.3 40 40 A D H 3> S+ 0 0 47 1,-0.3 4,-2.0 2,-0.2 5,-0.1 0.825 135.0 54.6 -44.4 -35.8 2.4 -8.1 -1.2 41 41 A Q H 3> S+ 0 0 70 2,-0.2 4,-2.2 3,-0.2 -1,-0.3 0.933 111.9 41.7 -65.0 -48.5 -0.8 -10.0 -1.2 42 42 A E H X> S+ 0 0 56 -3,-0.6 4,-2.9 2,-0.2 3,-0.8 0.998 117.8 42.6 -61.4 -70.6 -2.0 -8.5 2.0 43 43 A I H 3X S+ 0 0 9 -4,-1.8 4,-1.6 1,-0.3 -1,-0.2 0.875 115.8 52.6 -42.5 -46.3 -1.0 -4.9 1.4 44 44 A A H 3X S+ 0 0 5 -4,-2.0 4,-0.7 -5,-0.5 -1,-0.3 0.897 109.5 48.2 -57.9 -42.5 -2.3 -5.3 -2.1 45 45 A N H X< S+ 0 0 57 -4,-2.2 3,-1.4 -3,-0.8 4,-0.4 0.875 102.0 64.0 -65.1 -38.7 -5.5 -6.6 -0.7 46 46 A I H >< S+ 0 0 48 -4,-2.9 3,-3.3 1,-0.3 -1,-0.2 0.891 93.9 61.1 -51.0 -43.8 -5.6 -3.6 1.6 47 47 A L H >X S+ 0 0 30 -4,-1.6 3,-2.0 1,-0.3 4,-1.3 0.845 90.1 68.8 -52.0 -36.0 -5.8 -1.4 -1.5 48 48 A K T << S+ 0 0 168 -3,-1.4 -1,-0.3 -4,-0.7 -2,-0.2 0.687 76.2 85.3 -57.0 -17.0 -9.1 -3.2 -2.2 49 49 A E T <4 S- 0 0 85 -3,-3.3 -1,-0.3 -4,-0.4 -2,-0.2 0.477 115.8-110.1 -64.2 -0.0 -10.2 -1.3 0.9 50 50 A K T <4 S+ 0 0 133 -3,-2.0 -38,-0.4 2,-0.2 -2,-0.2 0.916 90.9 104.1 69.5 45.0 -10.9 1.4 -1.7 51 51 A G S < S+ 0 0 2 -4,-1.3 -4,-0.1 1,-0.4 2,-0.1 0.604 71.8 16.4-115.4 -89.3 -8.1 3.6 -0.4 52 52 A F S S- 0 0 37 -40,-0.2 2,-0.7 -6,-0.1 -1,-0.4 -0.308 73.1-114.2 -86.2 172.7 -4.9 3.8 -2.3 53 53 A K + 0 0 179 -3,-0.1 2,-0.1 -2,-0.1 -5,-0.0 -0.756 63.2 128.9-111.6 82.4 -4.2 2.8 -5.9 54 54 A V - 0 0 13 -2,-0.7 2,-0.2 -10,-0.2 3,-0.1 -0.088 32.6-167.4-110.2-150.4 -1.8 -0.1 -5.7 55 55 A A > - 0 0 40 1,-0.1 4,-3.8 -15,-0.1 5,-0.4 -0.642 44.9 -90.7 160.2 142.7 -1.8 -3.6 -7.2 56 56 A R H > S+ 0 0 165 1,-0.3 4,-3.3 2,-0.2 5,-0.1 0.817 129.9 50.3 -33.2 -45.5 0.1 -6.8 -6.8 57 57 A R H > S+ 0 0 194 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.964 115.0 40.1 -60.7 -55.7 2.4 -5.4 -9.5 58 58 A T H > S+ 0 0 44 -3,-0.3 4,-2.2 1,-0.2 -2,-0.2 0.898 117.9 49.4 -60.3 -42.9 2.9 -2.2 -7.7 59 59 A V H X S+ 0 0 2 -4,-3.8 4,-4.3 1,-0.2 -1,-0.2 0.906 106.8 55.7 -62.8 -43.1 3.1 -4.0 -4.4 60 60 A A H X S+ 0 0 44 -4,-3.3 4,-1.4 -5,-0.4 -1,-0.2 0.892 108.0 49.1 -55.7 -42.2 5.6 -6.4 -5.8 61 61 A K H X S+ 0 0 104 -4,-2.0 4,-1.3 1,-0.2 -1,-0.2 0.918 115.6 42.9 -63.4 -45.2 7.8 -3.5 -6.7 62 62 A Y H X>S+ 0 0 9 -4,-2.2 4,-1.7 1,-0.2 5,-0.5 0.891 103.5 65.9 -67.5 -41.6 7.4 -2.0 -3.2 63 63 A R H <5S+ 0 0 130 -4,-4.3 -1,-0.2 1,-0.3 3,-0.2 0.860 105.4 45.2 -47.3 -41.4 7.9 -5.4 -1.6 64 64 A E H <5S+ 0 0 172 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.864 108.7 55.4 -71.3 -38.0 11.4 -5.4 -3.0 65 65 A M H <5S- 0 0 98 -4,-1.3 -2,-0.2 -5,-0.1 -1,-0.2 0.689 145.8 -22.4 -67.5 -18.9 11.9 -1.8 -1.8 66 66 A L T <5 0 0 55 -4,-1.7 -3,-0.2 -3,-0.2 -2,-0.1 0.247 360.0 360.0-151.6 -67.7 10.9 -2.9 1.6 67 67 A G < 0 0 57 -5,-0.5 -4,-0.1 -8,-0.2 -3,-0.1 0.770 360.0 360.0 71.6 360.0 8.9 -6.1 1.8