==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION REGULATION 18-JUL-94 1HKT . COMPND 2 MOLECULE: HEAT-SHOCK TRANSCRIPTION FACTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: DROSOPHILA MELANOGASTER; . AUTHOR G.W.VUISTER,S.-J.KIM,A.OROSZ,J.L.MARQUARDT,C.WU,A.BAX . 106 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7443.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 55 51.9 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 . 11 10.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.9 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 . 10 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 19 17.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.8 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 0 0 0 0 0 1 1 0 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 . 2 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 43 A G 0 0 112 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 26.9 18.5 0.9 -5.0 2 44 A S - 0 0 86 3,-0.1 99,-0.1 2,-0.0 0, 0.0 -0.077 360.0 -53.0-172.1 56.4 20.3 2.9 -2.4 3 45 A G S S+ 0 0 82 1,-0.2 0, 0.0 2,-0.0 0, 0.0 0.769 85.8 160.2 74.6 22.3 20.4 1.3 1.1 4 46 A V - 0 0 30 1,-0.1 -1,-0.2 2,-0.0 -2,-0.0 -0.632 43.5-113.3 -78.9 134.7 16.6 1.0 0.9 5 47 A P > - 0 0 37 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.006 23.2-115.7 -56.9 172.3 15.2 -1.7 3.4 6 48 A A H > S+ 0 0 56 2,-0.2 4,-2.7 3,-0.2 5,-0.3 0.891 108.8 65.3 -81.2 -39.7 13.6 -4.8 1.8 7 49 A F H > S+ 0 0 49 2,-0.2 4,-1.3 1,-0.2 -1,-0.1 0.950 113.9 32.0 -46.9 -56.3 10.0 -4.1 3.2 8 50 A L H >> S+ 0 0 14 1,-0.2 4,-1.6 2,-0.2 3,-0.6 0.972 114.3 58.8 -68.6 -52.7 9.8 -0.9 1.0 9 51 A A H 3X S+ 0 0 31 -4,-1.5 4,-1.2 1,-0.3 -1,-0.2 0.849 104.8 54.6 -46.4 -33.1 11.9 -2.3 -1.9 10 52 A K H 3X S+ 0 0 61 -4,-2.7 4,-1.7 2,-0.2 3,-0.3 0.940 100.3 57.9 -70.0 -43.8 9.3 -5.1 -2.1 11 53 A L H XX S+ 0 0 23 -4,-1.3 4,-3.2 -3,-0.6 3,-1.3 0.963 104.6 50.9 -50.4 -54.5 6.4 -2.7 -2.5 12 54 A W H 3< S+ 0 0 106 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.893 116.1 42.4 -51.8 -37.6 8.0 -1.1 -5.6 13 55 A R H 3< S+ 0 0 171 -4,-1.2 3,-0.4 -5,-0.3 -1,-0.3 0.632 115.5 51.9 -84.6 -11.9 8.3 -4.7 -6.9 14 56 A L H << S+ 0 0 23 -4,-1.7 2,-2.0 -3,-1.3 5,-0.3 0.905 101.2 56.2 -88.9 -48.7 4.8 -5.5 -5.7 15 57 A V S < S+ 0 0 5 -4,-3.2 2,-0.2 -5,-0.2 -1,-0.2 -0.082 121.8 21.8 -75.5 43.9 2.8 -2.6 -7.2 16 58 A D > + 0 0 37 -2,-2.0 3,-0.8 -3,-0.4 4,-0.2 -0.833 67.5 97.7-172.0-148.8 4.2 -3.7 -10.6 17 59 A D T 3 S- 0 0 107 -2,-0.2 -4,-0.1 1,-0.2 -2,-0.1 0.707 99.5 -99.8 53.3 14.7 5.7 -6.8 -12.4 18 60 A A T 3 S+ 0 0 85 1,-0.1 -1,-0.2 -3,-0.0 -3,-0.1 0.912 96.9 112.3 37.7 70.4 2.1 -7.2 -13.7 19 61 A D S < S+ 0 0 94 -3,-0.8 -1,-0.1 -5,-0.3 -2,-0.1 0.303 81.5 18.6-147.8 4.1 1.2 -9.9 -11.2 20 62 A T > + 0 0 13 -4,-0.2 3,-1.2 4,-0.1 2,-1.0 0.402 65.8 132.0-140.4 -68.7 -1.4 -8.2 -8.9 21 63 A N B > S+A 24 0A 86 3,-0.6 3,-0.6 1,-0.3 -3,-0.0 -0.142 79.6 54.8 45.0 -88.2 -3.1 -5.0 -10.3 22 64 A R T 3 S+ 0 0 156 -2,-1.0 15,-0.7 1,-0.3 -1,-0.3 0.865 116.7 38.6 -37.9 -46.6 -6.6 -6.2 -9.4 23 65 A L T < S+ 0 0 9 -3,-1.2 2,-0.3 1,-0.3 -1,-0.3 0.821 140.2 0.7 -79.2 -28.6 -5.4 -6.7 -5.8 24 66 A I B < S+A 21 0A 8 -3,-0.6 -3,-0.6 11,-0.2 -1,-0.3 -0.907 73.1 152.0-160.8 129.3 -3.2 -3.5 -5.9 25 67 A C E -B 34 0B 36 9,-1.7 9,-1.6 -2,-0.3 2,-0.1 -0.890 44.8 -82.4-147.6 177.8 -2.6 -0.9 -8.6 26 68 A W E -B 33 0B 53 -2,-0.3 2,-0.5 7,-0.2 7,-0.2 -0.412 36.7-132.3 -83.3 164.4 -1.6 2.8 -8.9 27 69 A T E >>S-B 32 0B 19 5,-1.3 4,-0.9 1,-0.3 5,-0.6 -0.965 70.0 -15.9-122.0 122.2 -4.1 5.6 -8.7 28 70 A K T >45S- 0 0 172 -2,-0.5 3,-0.9 1,-0.2 2,-0.6 0.817 128.1 -27.7 54.6 113.3 -4.2 8.4 -11.3 29 71 A D T 345S- 0 0 150 1,-0.2 -1,-0.2 -3,-0.1 -3,-0.1 -0.293 118.5 -53.6 52.7-102.4 -1.0 8.5 -13.4 30 72 A G T 345S+ 0 0 2 -2,-0.6 64,-0.5 -3,-0.1 -1,-0.2 -0.211 100.9 103.1-167.8 65.9 1.4 7.0 -10.8 31 73 A Q T <<5S+ 0 0 103 -4,-0.9 -3,-0.1 -3,-0.9 -2,-0.1 0.680 81.0 12.5-114.3 -77.8 1.4 8.8 -7.4 32 74 A S E S+ 0 0 61 1,-0.2 4,-1.0 3,-0.1 3,-0.2 0.979 124.7 39.0 -51.6 -74.5 -9.3 -10.8 1.5 40 82 A Q T 4 S+ 0 0 46 1,-0.3 2,-1.9 2,-0.2 5,-0.3 0.850 108.3 69.4 -46.3 -32.0 -7.9 -12.0 -1.8 41 83 A F T 4 S+ 0 0 3 1,-0.2 -1,-0.3 3,-0.1 -2,-0.1 -0.263 106.2 37.4 -82.5 53.7 -5.3 -9.2 -1.2 42 84 A A T > S+ 0 0 4 -2,-1.9 4,-1.1 -3,-0.2 2,-0.8 0.215 102.4 56.4-162.3 -60.6 -3.8 -11.2 1.7 43 85 A K T < S+ 0 0 119 -4,-1.0 -2,-0.1 1,-0.2 -3,-0.1 -0.047 118.1 35.3 -80.8 39.2 -3.6 -15.0 1.3 44 86 A E T 4 S+ 0 0 105 -2,-0.8 -1,-0.2 3,-0.1 -3,-0.1 0.411 121.5 34.0-156.6 -32.7 -1.6 -14.7 -1.9 45 87 A L T 4 S+ 0 0 26 -5,-0.3 -2,-0.1 -3,-0.1 -4,-0.1 0.731 114.1 53.0-104.9 -30.5 0.8 -11.7 -1.8 46 88 A L S >X>S+ 0 0 2 -4,-1.1 4,-2.2 3,-0.1 5,-0.7 0.885 102.6 63.8 -75.3 -35.5 1.8 -11.6 1.9 47 89 A P T 345S+ 0 0 32 0, 0.0 3,-0.2 0, 0.0 5,-0.1 -0.020 91.5 43.4 -74.5-173.0 2.9 -15.2 2.1 48 90 A L T 345S+ 0 0 173 1,-0.2 -2,-0.1 3,-0.2 4,-0.0 0.723 126.9 43.1 49.0 13.5 5.9 -16.6 0.1 49 91 A N T <45S+ 0 0 72 -3,-0.5 -1,-0.2 3,-0.1 -3,-0.1 0.281 127.6 13.9-146.3 -74.2 7.4 -13.2 1.3 50 92 A Y T <5S- 0 0 35 -4,-2.2 2,-2.7 -3,-0.2 3,-0.1 0.570 84.6-144.8 -89.7 -7.9 6.8 -12.2 4.9 51 93 A K S > S+ 0 0 26 -12,-0.1 3,-1.8 -9,-0.0 4,-1.5 0.349 85.7 62.5-147.5 -62.5 -4.1 -9.0 7.0 56 98 A A H 3> S+ 0 0 66 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.757 102.0 64.6 -47.9 -17.6 -5.1 -6.4 9.6 57 99 A S H 3> S+ 0 0 21 2,-0.2 4,-0.8 1,-0.2 -1,-0.3 0.915 98.0 49.5 -74.6 -40.5 -1.5 -7.0 10.7 58 100 A F H <> S+ 0 0 13 -3,-1.8 4,-0.9 -5,-0.2 -2,-0.2 0.829 117.1 44.4 -67.3 -27.2 -0.1 -5.6 7.5 59 101 A I H >X S+ 0 0 24 -4,-1.5 4,-1.5 2,-0.2 3,-1.0 0.953 107.4 52.3 -82.9 -55.0 -2.3 -2.6 7.9 60 102 A R H 3X S+ 0 0 142 -4,-2.8 4,-0.8 1,-0.3 -1,-0.2 0.748 111.3 55.3 -55.3 -12.1 -1.9 -1.8 11.6 61 103 A Q H 3X S+ 0 0 19 -4,-0.8 4,-1.3 -5,-0.2 -1,-0.3 0.835 95.3 62.4 -87.1 -34.9 1.8 -1.9 10.5 62 104 A L H S+ 0 0 5 -3,-1.0 4,-2.0 -4,-0.9 5,-1.2 0.885 104.0 50.9 -57.8 -35.0 1.3 0.7 7.7 63 105 A N H <5S+ 0 0 93 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.893 99.8 62.3 -71.4 -37.5 0.3 3.2 10.5 64 106 A M H <5S+ 0 0 40 -4,-0.8 42,-1.9 -5,-0.2 -1,-0.2 0.862 109.5 43.1 -57.4 -31.6 3.5 2.4 12.5 65 107 A Y H <5S- 0 0 47 -4,-1.3 39,-0.3 40,-0.2 -2,-0.2 0.965 128.4 -89.9 -79.4 -55.4 5.5 3.7 9.6 66 108 A G T <5 + 0 0 39 -4,-2.0 2,-0.2 37,-0.1 -3,-0.2 0.452 69.9 143.4 146.3 48.4 3.4 6.8 8.8 67 109 A F < - 0 0 22 -5,-1.2 2,-0.3 22,-0.1 22,-0.1 -0.638 28.6-161.1-104.6 166.8 0.6 6.1 6.2 68 110 A H B -D 88 0C 85 20,-1.0 20,-0.8 -2,-0.2 2,-0.2 -0.847 12.7-142.9-150.3 107.7 -3.0 7.6 6.1 69 111 A K - 0 0 80 -2,-0.3 2,-1.0 18,-0.2 3,-0.3 -0.502 11.4-138.4 -73.9 138.0 -5.8 5.9 4.1 70 112 A I S S+ 0 0 102 16,-0.3 -1,-0.1 -2,-0.2 17,-0.1 -0.320 83.3 83.4 -91.0 54.7 -8.2 8.4 2.4 71 113 A T + 0 0 39 -2,-1.0 -1,-0.2 15,-0.2 3,-0.1 -0.073 50.8 102.3-146.8 40.6 -11.4 6.4 3.3 72 114 A S + 0 0 69 -3,-0.3 2,-0.3 1,-0.1 -2,-0.1 0.887 34.5 135.3 -90.3 -45.8 -12.3 7.4 6.8 73 115 A I - 0 0 102 1,-0.2 -1,-0.1 2,-0.0 -2,-0.0 0.005 33.4-173.0 34.5 -86.9 -15.2 9.8 5.9 74 116 A D + 0 0 139 -2,-0.3 -1,-0.2 -3,-0.1 2,-0.2 0.737 65.8 63.3 76.2 20.4 -17.6 8.5 8.6 75 117 A N + 0 0 124 -3,-0.0 2,-0.2 0, 0.0 -2,-0.0 -0.585 66.5 95.7-175.3 106.5 -20.3 10.7 7.1 76 118 A G - 0 0 86 -2,-0.2 3,-0.0 1,-0.1 -3,-0.0 -0.811 39.7-155.8-166.0-152.8 -21.9 10.5 3.6 77 119 A G + 0 0 71 -2,-0.2 -1,-0.1 2,-0.1 3,-0.0 0.230 58.1 102.3-176.7 -30.1 -24.9 9.1 1.7 78 120 A L S S- 0 0 145 1,-0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.068 83.7 -94.5 -62.6 173.6 -23.9 8.6 -2.0 79 121 A R S S+ 0 0 214 -3,-0.0 -2,-0.1 3,-0.0 -1,-0.0 0.844 85.4 100.5 -57.5-107.0 -23.0 5.2 -3.3 80 122 A F + 0 0 149 2,-0.1 0, 0.0 -3,-0.0 0, 0.0 0.002 41.3 99.5 49.2-165.3 -19.3 4.7 -3.1 81 123 A D + 0 0 119 1,-0.1 -10,-0.0 3,-0.1 0, 0.0 0.860 32.5 136.2 56.0 105.1 -18.0 2.7 -0.2 82 124 A R S S- 0 0 185 -46,-0.0 3,-0.1 0, 0.0 -1,-0.1 0.077 93.1 -54.9-169.3 32.2 -17.3 -0.9 -1.3 83 125 A D S S+ 0 0 82 1,-0.2 2,-2.0 -46,-0.1 -48,-0.1 0.777 78.3 165.6 89.4 32.9 -14.0 -1.8 0.3 84 126 A E + 0 0 78 -13,-0.1 2,-1.2 -50,-0.1 -1,-0.2 -0.509 8.2 177.0 -81.1 77.2 -12.2 1.2 -1.3 85 127 A I - 0 0 6 -2,-2.0 -50,-1.8 -50,-0.4 2,-0.2 -0.676 8.3-176.9 -85.6 98.8 -9.1 1.1 0.9 86 128 A E E -C 34 0B 45 -2,-1.2 2,-0.4 -52,-0.2 -16,-0.3 -0.663 10.2-158.0 -95.4 153.5 -6.9 3.9 -0.5 87 129 A F E -C 33 0B 2 -54,-1.1 -54,-1.4 -2,-0.2 2,-0.4 -0.995 7.6-173.8-133.2 135.7 -3.4 4.7 0.7 88 130 A S B +D 68 0C 33 -20,-0.8 -20,-1.0 -2,-0.4 -56,-0.1 -0.983 8.6 169.3-131.3 140.2 -1.5 8.1 0.4 89 131 A H > - 0 0 17 -2,-0.4 3,-1.5 3,-0.2 -22,-0.1 -0.856 30.0-147.9-150.8 111.3 2.1 8.9 1.2 90 132 A P T 3 S+ 0 0 85 0, 0.0 3,-0.1 0, 0.0 -58,-0.0 0.319 102.9 51.9 -63.6 16.4 3.8 12.2 0.2 91 133 A F T 3 S+ 0 0 85 1,-0.1 2,-0.2 9,-0.0 11,-0.1 -0.037 92.2 76.1-142.2 35.5 7.0 10.0 0.1 92 134 A F < + 0 0 12 -3,-1.5 -3,-0.2 8,-0.0 2,-0.2 -0.704 55.9 116.5-150.4 94.3 6.1 7.1 -2.2 93 135 A K - 0 0 55 1,-0.4 3,-0.2 -2,-0.2 -62,-0.2 -0.440 66.5 -65.6-134.7-150.6 5.9 7.6 -6.0 94 136 A R S S+ 0 0 133 -64,-0.5 -1,-0.4 1,-0.3 2,-0.4 0.528 108.4 10.2 -79.9-128.4 7.7 6.2 -9.1 95 137 A N S S+ 0 0 145 1,-0.1 -1,-0.3 2,-0.1 0, 0.0 -0.288 85.7 126.1 -52.3 107.2 11.3 7.0 -9.7 96 138 A S > + 0 0 23 -2,-0.4 3,-1.8 -3,-0.2 2,-1.5 -0.259 28.0 174.6-166.4 68.5 12.3 8.6 -6.4 97 139 A P T 3 S+ 0 0 100 0, 0.0 -2,-0.1 0, 0.0 4,-0.0 0.013 81.4 58.8 -70.1 34.6 15.4 7.0 -4.7 98 140 A F T 3 S+ 0 0 130 -2,-1.5 4,-0.1 2,-0.0 -2,-0.0 0.317 88.1 66.6-142.9 3.2 15.1 9.7 -2.0 99 141 A L S < S+ 0 0 15 -3,-1.8 0, 0.0 2,-0.1 0, 0.0 0.515 98.4 53.3-104.0 -8.7 11.6 9.3 -0.5 100 142 A L S > S+ 0 0 29 -4,-0.4 3,-1.4 1,-0.1 -2,-0.0 0.913 92.0 65.2 -91.0 -54.6 12.3 5.9 1.1 101 143 A D T 3 S+ 0 0 121 1,-0.3 -1,-0.1 -99,-0.1 -2,-0.1 0.755 99.7 60.6 -41.7 -23.4 15.4 6.5 3.2 102 144 A Q T 3 S+ 0 0 92 -11,-0.1 2,-0.4 -4,-0.1 -1,-0.3 -0.133 87.4 89.3 -99.5 40.2 13.1 8.8 5.2 103 145 A I < + 0 0 14 -3,-1.4 2,-0.3 2,-0.0 -95,-0.1 -0.882 47.2 135.6-138.8 107.1 10.7 6.1 6.2 104 146 A K - 0 0 139 -2,-0.4 -3,-0.0 -39,-0.3 -2,-0.0 -0.984 62.4 -72.1-147.2 157.3 11.2 4.0 9.4 105 147 A R 0 0 162 -2,-0.3 -40,-0.2 1,-0.0 -41,-0.1 -0.174 360.0 360.0 -48.4 137.4 9.1 2.8 12.3 106 148 A K 0 0 191 -42,-1.9 -41,-0.1 -3,-0.0 -42,-0.1 0.750 360.0 360.0 -63.5 360.0 8.2 5.8 14.6