==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 10-FEB-04 1SBO . COMPND 2 MOLECULE: PUTATIVE ANTI-SIGMA FACTOR ANTAGONIST TM1442; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR T.ETEZADY-ESFARJAINI,W.J.PLACZEK,T.HERRMANN,S.A.LESLEY, . 110 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6576.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 84 76.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 14.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 5.5 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 . 1 0.9 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 . 8 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 14.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 29 26.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 3.6 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 0 0 1 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 0 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 PARALLEL BRIDGES PER LADDER . 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 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 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 M 0 0 236 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -50.7 5.2 -18.6 9.6 2 2 A N + 0 0 132 1,-0.0 3,-0.1 3,-0.0 19,-0.1 -0.967 360.0 127.1-138.4 112.7 6.2 -15.3 7.9 3 3 A N S S- 0 0 93 -2,-0.4 18,-0.1 1,-0.1 -1,-0.0 -0.428 80.2 -47.9-159.0 86.2 6.8 -14.4 4.2 4 4 A L + 0 0 16 1,-0.1 2,-0.3 18,-0.1 17,-0.2 0.867 68.1 150.6 55.3 130.8 4.6 -11.4 3.2 5 5 A K E -A 20 0A 103 15,-2.6 15,-3.0 16,-0.1 2,-0.3 -0.955 35.2-121.9-164.5 171.4 0.9 -10.9 3.8 6 6 A L E -A 19 0A 12 13,-0.3 13,-0.3 -2,-0.3 11,-0.1 -0.896 6.4-158.4-122.7 159.2 -1.8 -8.2 4.3 7 7 A D - 0 0 58 11,-3.0 12,-0.1 -2,-0.3 10,-0.1 0.790 25.3-160.4-109.4 -38.8 -4.2 -8.0 7.3 8 8 A I - 0 0 51 10,-0.7 2,-0.4 1,-0.2 9,-0.3 0.946 10.6-173.4 56.5 112.8 -7.0 -5.9 5.8 9 9 A V E -B 16 0B 51 7,-2.4 7,-3.0 0, 0.0 2,-0.6 -0.954 19.9-140.4-141.4 105.6 -9.5 -4.0 8.1 10 10 A E E -B 15 0B 87 -2,-0.4 5,-0.2 5,-0.2 2,-0.0 -0.612 28.6-171.5 -70.6 115.6 -12.6 -2.2 6.9 11 11 A Q - 0 0 71 3,-2.6 -1,-0.1 -2,-0.6 4,-0.0 0.070 45.8 -66.9 -87.1-153.6 -12.8 1.0 9.0 12 12 A D S S- 0 0 138 1,-0.1 3,-0.1 32,-0.0 -2,-0.0 0.961 118.4 -25.1 -69.1 -54.1 -15.7 3.5 9.1 13 13 A D S S+ 0 0 91 31,-0.1 33,-1.4 33,-0.1 32,-0.6 0.189 129.4 79.6-138.8 6.6 -15.4 4.7 5.5 14 14 A K E S- c 0 46B 24 31,-0.2 -3,-2.6 30,-0.2 2,-0.6 -0.897 72.0-138.2-120.5 139.5 -11.7 3.9 5.0 15 15 A A E -Bc 10 47B 0 31,-2.5 33,-2.1 -2,-0.3 2,-1.1 -0.936 15.4-150.5-108.2 107.4 -10.3 0.4 4.2 16 16 A I E -Bc 9 48B 12 -7,-3.0 -7,-2.4 -2,-0.6 2,-1.6 -0.683 11.2-171.9 -86.1 94.8 -7.2 -0.2 6.2 17 17 A V E - c 0 49B 0 31,-2.8 33,-1.7 -2,-1.1 2,-0.3 -0.666 12.3-166.7 -82.3 86.2 -4.9 -2.7 4.2 18 18 A R E - c 0 50B 99 -2,-1.6 -11,-3.0 31,-0.2 -10,-0.7 -0.630 7.7-148.2 -68.5 139.9 -2.4 -3.3 6.8 19 19 A V E -A 6 0A 2 31,-2.1 34,-0.5 -2,-0.3 2,-0.3 -0.787 8.8-159.5-108.1 154.3 0.6 -5.0 5.2 20 20 A Q E +A 5 0A 70 -15,-3.0 -15,-2.6 -2,-0.3 34,-0.1 -0.997 54.7 21.9-132.8 136.0 3.0 -7.5 7.0 21 21 A G S S- 0 0 22 32,-0.5 32,-0.1 -2,-0.3 2,-0.1 -0.049 94.2 -63.8 95.0 157.0 6.5 -8.3 5.8 22 22 A D - 0 0 70 32,-0.2 2,-0.6 -2,-0.1 35,-0.2 -0.281 59.6-107.6 -64.7 162.2 9.0 -6.4 3.7 23 23 A I B +f 57 0C 3 33,-2.1 35,-2.5 3,-0.1 38,-0.6 -0.888 60.5 117.8-118.5 105.9 8.0 -5.8 0.1 24 24 A D S > S- 0 0 35 -2,-0.6 4,-2.0 33,-0.2 3,-0.4 -0.493 74.6 -36.8-142.6-160.4 9.6 -7.8 -2.7 25 25 A A T 4 S+ 0 0 67 1,-0.2 4,-0.2 2,-0.2 5,-0.2 0.741 130.0 54.9 -49.2 -32.2 9.3 -10.3 -5.6 26 26 A Y T >> S+ 0 0 139 1,-0.2 4,-2.7 2,-0.2 3,-1.2 0.934 112.1 42.7 -67.3 -45.9 6.7 -12.3 -3.5 27 27 A N T 34>S+ 0 0 0 -3,-0.4 5,-1.4 1,-0.3 4,-0.4 0.815 93.3 86.0 -64.9 -28.7 4.6 -9.1 -3.1 28 28 A S T 3<5S+ 0 0 46 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.566 117.2 6.5 -60.5 -15.7 5.3 -8.4 -6.8 29 29 A S T <>5S+ 0 0 67 -3,-1.2 4,-2.5 -4,-0.2 -1,-0.3 0.470 128.0 64.8-121.7 -28.3 2.3 -10.6 -7.5 30 30 A E H >X5S+ 0 0 74 -4,-2.7 4,-2.9 2,-0.2 3,-0.5 0.974 111.2 31.6 -57.7 -71.6 0.9 -11.2 -3.9 31 31 A L H 3>5S+ 0 0 2 -4,-0.4 4,-0.5 1,-0.2 5,-0.3 0.863 116.2 61.2 -56.2 -35.8 -0.1 -7.6 -2.8 32 32 A K H >>S+ 0 0 109 -4,-2.5 4,-2.4 -3,-0.5 5,-0.5 0.951 113.6 56.9 -65.2 -54.0 -3.5 -9.7 -6.3 34 34 A Q H 3<5S+ 0 0 76 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.370 119.4 33.3 -65.6 0.2 -4.6 -9.0 -2.7 35 35 A L H X5S+ 0 0 106 -4,-2.4 4,-2.0 -5,-0.2 3,-0.9 0.913 118.2 50.0 -77.7 -43.9 -9.2 -8.1 -6.2 38 38 A F H 3> + 0 0 8 31,-2.7 3,-1.9 -2,-0.5 34,-0.4 0.093 42.4 118.6-113.5 21.6 3.9 -0.2 6.2 52 52 A S T 3 S+ 0 0 56 1,-0.3 -1,-0.2 30,-0.2 -32,-0.1 0.769 84.2 42.4 -58.3 -29.5 4.8 -0.5 9.9 53 53 A S T 3 S+ 0 0 52 -34,-0.5 2,-1.3 -3,-0.3 -32,-0.5 0.328 85.9 107.3 -99.1 3.5 6.0 -4.1 9.2 54 54 A V < + 0 0 2 -3,-1.9 31,-0.3 1,-0.2 -32,-0.2 -0.692 34.9 165.1 -92.0 89.7 7.8 -3.2 5.9 55 55 A S + 0 0 78 -2,-1.3 2,-0.3 1,-0.1 -1,-0.2 0.739 67.2 20.3 -75.1 -25.0 11.5 -3.4 6.9 56 56 A Y - 0 0 112 32,-0.0 -33,-2.1 2,-0.0 2,-0.3 -0.939 64.0-159.0-142.1 155.8 12.8 -3.5 3.3 57 57 A M B -f 23 0C 17 -2,-0.3 2,-0.2 -35,-0.2 -33,-0.2 -0.979 4.0-164.3-140.7 132.5 11.5 -2.5 -0.2 58 58 A D >> - 0 0 60 -35,-2.5 3,-1.0 -2,-0.3 4,-0.8 -0.619 44.8 -99.5 -96.5 166.4 12.6 -3.7 -3.6 59 59 A S H 3> S+ 0 0 90 1,-0.2 4,-1.7 -2,-0.2 5,-0.2 0.764 122.1 74.0 -51.4 -26.7 11.7 -2.1 -7.0 60 60 A A H 3> S+ 0 0 13 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.932 92.6 54.0 -51.3 -52.1 9.1 -4.9 -7.0 61 61 A G H <> S+ 0 0 0 -3,-1.0 4,-1.7 -38,-0.6 3,-0.5 0.907 106.2 46.8 -42.4 -64.6 7.2 -2.9 -4.4 62 62 A L H X S+ 0 0 20 -4,-0.8 4,-2.8 1,-0.3 -1,-0.2 0.864 113.0 46.4 -69.4 -38.4 6.9 0.4 -6.2 63 63 A G H X S+ 0 0 44 -4,-1.7 4,-1.1 1,-0.2 -1,-0.3 0.785 113.3 52.2 -66.3 -29.9 5.8 -1.0 -9.6 64 64 A T H < S+ 0 0 6 -4,-1.5 4,-0.4 -3,-0.5 -2,-0.2 0.742 114.6 42.0 -81.6 -23.6 3.3 -3.2 -7.8 65 65 A L H >X S+ 0 0 9 -4,-1.7 3,-1.1 -3,-0.2 4,-0.6 0.919 110.2 53.4 -87.6 -46.4 1.8 -0.3 -5.9 66 66 A V H >X S+ 0 0 65 -4,-2.8 3,-1.0 1,-0.3 4,-0.6 0.815 102.5 59.5 -61.4 -30.1 1.7 2.3 -8.7 67 67 A V H >X S+ 0 0 66 -4,-1.1 4,-1.7 1,-0.3 3,-0.8 0.860 98.9 59.3 -64.5 -30.9 -0.3 -0.1 -10.9 68 68 A I H <> S+ 0 0 5 -3,-1.1 4,-3.1 -4,-0.4 5,-0.3 0.696 86.7 76.7 -70.4 -18.0 -3.0 -0.1 -8.2 69 69 A L H <>S+ 0 0 2 -4,-3.1 5,-2.0 1,-0.2 3,-1.6 0.975 113.4 48.1 -58.5 -54.5 -8.3 2.0 -7.3 73 73 A K H 3<5S+ 0 0 146 -4,-1.3 -2,-0.2 -5,-0.3 -1,-0.2 0.621 100.7 66.5 -61.6 -16.9 -9.5 4.5 -10.0 74 74 A I H 3<5S+ 0 0 112 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.794 116.4 27.8 -71.1 -29.1 -11.0 1.6 -12.0 75 75 A N T <<5S- 0 0 67 -3,-1.6 -2,-0.2 -4,-0.9 -1,-0.2 0.177 118.6-107.5-113.5 12.1 -13.5 1.3 -9.0 76 76 A G T 5 + 0 0 51 1,-0.2 2,-0.3 -4,-0.2 -3,-0.3 0.948 68.7 150.6 56.5 51.3 -13.4 5.0 -7.9 77 77 A K < - 0 0 36 -5,-2.0 -1,-0.2 -8,-0.1 -31,-0.2 -0.821 41.8-128.3-107.2 154.7 -11.3 4.2 -4.7 78 78 A E E -d 46 0B 107 -33,-2.3 -31,-1.1 -2,-0.3 2,-0.3 -0.410 18.8-149.9 -87.4 173.8 -8.8 6.5 -2.9 79 79 A F E +d 47 0B 25 -33,-0.2 2,-0.3 -2,-0.1 -31,-0.2 -0.924 21.2 160.9-155.5 124.6 -5.2 5.4 -2.0 80 80 A I E -d 48 0B 2 -33,-2.5 -31,-1.9 -2,-0.3 2,-0.4 -0.959 24.7-143.4-137.8 150.5 -2.9 6.5 0.9 81 81 A L E +de 49 103B 6 21,-1.7 23,-2.4 -2,-0.3 2,-0.3 -0.960 24.5 177.7-113.0 142.4 0.2 5.0 2.6 82 82 A S E +d 50 0B 0 -33,-2.1 -31,-2.7 -2,-0.4 23,-0.2 -0.926 52.9 30.8-141.8 164.1 0.8 5.2 6.3 83 83 A S S S+ 0 0 33 21,-0.4 22,-0.2 -2,-0.3 2,-0.1 0.737 73.8 178.0 60.9 27.1 3.3 4.1 9.0 84 84 A L - 0 0 27 20,-0.8 -1,-0.2 -3,-0.1 -32,-0.1 -0.386 28.8-119.8 -62.9 129.7 6.2 4.2 6.4 85 85 A K >> - 0 0 80 -34,-0.4 4,-3.0 -31,-0.3 3,-2.3 -0.412 17.3-120.9 -66.4 151.5 9.6 3.4 7.9 86 86 A E H 3> S+ 0 0 178 1,-0.3 4,-1.5 2,-0.2 5,-0.2 0.852 115.9 59.0 -66.7 -28.4 12.2 6.1 7.7 87 87 A S H 34 S+ 0 0 61 1,-0.2 -1,-0.3 2,-0.1 -30,-0.1 0.546 116.2 34.7 -70.0 -8.9 14.3 3.6 5.6 88 88 A I H <> S+ 0 0 4 -3,-2.3 4,-2.5 2,-0.1 -2,-0.2 0.675 107.4 62.7-121.0 -38.4 11.4 3.4 3.1 89 89 A S H X S+ 0 0 34 -4,-3.0 4,-2.5 1,-0.3 9,-0.2 0.975 108.0 46.5 -54.9 -52.9 10.1 6.9 3.1 90 90 A R H X S+ 0 0 155 -4,-1.5 4,-3.3 1,-0.2 -1,-0.3 0.820 108.2 57.6 -54.3 -38.0 13.5 8.1 1.8 91 91 A I H > S+ 0 0 47 2,-0.2 4,-2.9 1,-0.2 6,-0.3 0.963 108.2 44.8 -64.2 -51.6 13.4 5.3 -0.8 92 92 A L H <>S+ 0 0 4 -4,-2.5 5,-2.8 2,-0.2 6,-0.7 0.940 116.7 46.9 -56.6 -50.6 10.1 6.5 -2.3 93 93 A K H ><5S+ 0 0 145 -4,-2.5 3,-1.7 3,-0.2 -2,-0.2 0.942 112.8 48.8 -56.8 -50.9 11.4 10.1 -2.2 94 94 A L H 3<5S+ 0 0 114 -4,-3.3 -2,-0.2 1,-0.3 -1,-0.2 0.939 114.5 44.2 -54.1 -53.7 14.8 9.1 -3.7 95 95 A T T 3<5S- 0 0 71 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.188 118.2-115.9 -80.5 18.8 13.1 7.1 -6.5 96 96 A H T < 5S+ 0 0 121 -3,-1.7 -3,-0.2 -5,-0.1 -2,-0.1 0.628 85.1 119.1 55.4 19.3 10.6 10.1 -6.9 97 97 A L > < + 0 0 18 -5,-2.8 3,-1.6 -6,-0.3 4,-0.3 0.832 63.8 60.6 -76.8 -38.5 7.7 7.9 -5.8 98 98 A D G > S+ 0 0 57 -6,-0.7 3,-1.9 1,-0.3 -5,-0.1 0.950 99.8 55.7 -60.5 -46.9 6.8 10.0 -2.7 99 99 A K G 3 S+ 0 0 160 1,-0.3 -1,-0.3 -7,-0.2 -2,-0.2 0.578 115.5 39.2 -57.6 -13.4 6.1 13.1 -4.8 100 100 A I G < S+ 0 0 94 -3,-1.6 -1,-0.3 -4,-0.1 -2,-0.2 0.190 116.4 52.1-125.6 9.7 3.6 11.0 -6.9 101 101 A F S < S- 0 0 30 -3,-1.9 2,-0.3 -4,-0.3 -3,-0.1 -0.270 85.9-104.9-121.0-158.1 2.0 9.0 -4.0 102 102 A K - 0 0 115 -2,-0.1 -21,-1.7 2,-0.0 2,-0.4 -0.964 31.2-168.6-141.1 133.2 0.4 10.0 -0.6 103 103 A I B +e 81 0B 54 -2,-0.3 2,-0.2 -23,-0.2 -21,-0.2 -0.992 11.7 163.6-127.8 133.4 2.1 9.5 2.7 104 104 A T - 0 0 26 -23,-2.4 -20,-0.8 -2,-0.4 -21,-0.4 -0.714 36.9-124.8-133.3-176.4 0.9 9.8 6.3 105 105 A D S S+ 0 0 137 1,-0.3 2,-0.3 -23,-0.2 -23,-0.1 0.790 90.1 22.2-108.1 -34.9 2.2 8.7 9.7 106 106 A T S > S- 0 0 63 -24,-0.1 3,-0.9 -23,-0.1 4,-0.3 -0.914 76.7-119.4-128.9 153.3 -0.7 6.6 11.2 107 107 A V G > S+ 0 0 29 -2,-0.3 3,-0.9 1,-0.2 -1,-0.1 0.800 116.3 65.1 -63.2 -22.7 -3.6 4.9 9.3 108 108 A E G 3 S+ 0 0 147 1,-0.2 -1,-0.2 2,-0.0 -26,-0.0 0.826 96.4 53.1 -66.8 -32.1 -5.8 7.2 11.4 109 109 A E G < 0 0 136 -3,-0.9 -1,-0.2 0, 0.0 -2,-0.2 0.467 360.0 360.0 -83.8 -2.6 -4.3 10.3 9.6 110 110 A A < 0 0 15 -3,-0.9 -3,-0.1 -4,-0.3 -62,-0.1 0.278 360.0 360.0 -95.0 360.0 -5.2 8.7 6.2