==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION REGULATOR 26-MAR-08 3CNV . COMPND 2 MOLECULE: PUTATIVE GNTR-FAMILY TRANSCRIPTIONAL REGULATOR; . SOURCE 2 ORGANISM_SCIENTIFIC: BORDETELLA BRONCHISEPTICA RB50; . AUTHOR M.D.ZIMMERMAN,X.XU,H.CUI,E.V.FILIPPOVA,A.SAVCHENKO,A.M.EDWAR . 634 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27298.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 435 68.6 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 . 253 39.9 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 . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 . 43 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 77 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.9 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 4 0 6 2 0 4 0 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 . 0 0 4 0 4 4 0 0 5 10 1 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 4 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 98 A V 0 0 23 0, 0.0 408,-0.1 0, 0.0 321,-0.1 0.000 360.0 360.0 360.0 163.9 61.0 35.8 45.4 2 99 A R + 0 0 85 1,-0.1 2,-0.4 407,-0.1 83,-0.2 0.885 360.0 38.4 -66.1 -47.6 61.8 33.8 42.3 3 100 A Y - 0 0 76 1,-0.1 -1,-0.1 317,-0.1 0, 0.0 -0.876 42.8-177.1-118.1 144.4 62.1 30.3 43.7 4 101 A R S S- 0 0 32 -2,-0.4 -1,-0.1 317,-0.0 -2,-0.1 0.823 91.3 -10.9 -92.9 -52.2 60.2 28.2 46.2 5 102 A F S S+ 0 0 3 313,-0.1 -2,-0.1 312,-0.0 313,-0.0 0.587 90.1 125.9-127.8 -19.9 62.3 24.9 46.2 6 103 A L - 0 0 25 1,-0.1 -3,-0.1 146,-0.0 146,-0.0 -0.191 30.0-178.1 -54.7 123.1 64.7 25.0 43.2 7 104 A R + 0 0 8 2,-0.1 146,-2.8 147,-0.0 -1,-0.1 0.300 34.0 130.2-108.7 4.5 68.2 24.3 44.5 8 105 A L E +A 152 0A 20 144,-0.2 144,-0.2 142,-0.1 139,-0.0 -0.397 31.0 174.0 -63.3 133.5 70.1 24.7 41.2 9 106 A A E -A 151 0A 0 142,-2.4 142,-2.6 -2,-0.1 2,-0.1 -0.987 33.5-102.0-145.9 141.8 73.1 27.0 41.6 10 107 A P E -A 150 0A 41 0, 0.0 140,-0.3 0, 0.0 139,-0.0 -0.427 11.4-142.9 -72.8 142.2 75.9 27.9 39.1 11 108 A D 0 0 60 138,-2.5 139,-0.1 1,-0.2 138,-0.0 0.793 360.0 360.0 -70.1 -24.1 79.2 26.3 39.6 12 109 A E 0 0 212 137,-0.5 -1,-0.2 0, 0.0 138,-0.0 -0.173 360.0 360.0 40.6 360.0 80.4 29.8 38.4 13 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 14 116 A A 0 0 56 0, 0.0 2,-0.4 0, 0.0 37,-0.2 0.000 360.0 360.0 360.0 127.5 66.0 30.1 34.7 15 117 A E E -H 50 0B 64 35,-2.9 35,-2.7 2,-0.0 2,-0.5 -0.901 360.0-147.8-110.2 130.0 63.5 30.1 31.8 16 118 A S E -H 49 0B 56 -2,-0.4 2,-0.5 33,-0.2 33,-0.2 -0.862 10.6-171.7-102.7 131.8 60.5 27.7 31.8 17 119 A R E -H 48 0B 157 31,-3.0 31,-2.6 -2,-0.5 2,-0.6 -0.994 20.1-137.5-120.3 122.9 59.0 26.4 28.7 18 120 A I E +H 47 0B 37 -2,-0.5 29,-0.2 29,-0.2 3,-0.1 -0.721 23.2 175.8 -84.5 117.7 55.7 24.4 29.1 19 121 A L E - 0 0 70 27,-2.4 2,-0.3 -2,-0.6 28,-0.2 0.749 66.8 -3.0 -86.7 -37.1 55.7 21.2 26.9 20 122 A E E -H 46 0B 61 26,-1.8 26,-1.7 2,-0.0 -1,-0.3 -0.985 43.9-176.9-160.6 153.1 52.4 19.9 28.1 21 123 A C E +H 45 0B 21 -2,-0.3 52,-0.4 24,-0.2 2,-0.3 -0.885 31.4 153.3-153.6 113.2 49.5 20.4 30.5 22 124 A R E -H 44 0B 118 22,-2.4 22,-3.3 -2,-0.3 2,-0.4 -0.984 39.0-125.2-145.7 148.7 46.8 17.7 30.5 23 125 A R E +H 43 0B 116 -2,-0.3 2,-0.3 20,-0.2 20,-0.2 -0.870 40.0 150.8 -97.0 136.9 44.2 16.1 32.6 24 126 A L E -H 42 0B 43 18,-2.5 18,-3.0 -2,-0.4 2,-0.2 -0.955 52.0 -79.9-151.0 168.6 44.2 12.3 33.2 25 127 A R E -H 41 0B 62 -2,-0.3 16,-0.2 16,-0.2 15,-0.2 -0.525 63.2-100.0 -68.2 134.3 43.2 9.6 35.7 26 128 A A - 0 0 9 14,-2.7 13,-0.6 -2,-0.2 -1,-0.1 -0.396 32.0-122.9 -61.9 123.9 45.9 9.4 38.3 27 129 A P >> - 0 0 57 0, 0.0 4,-2.4 0, 0.0 3,-0.6 -0.391 34.8-104.2 -54.8 154.6 48.4 6.6 37.8 28 130 A A H 3> S+ 0 0 70 1,-0.3 4,-1.7 2,-0.2 5,-0.1 0.799 120.5 48.9 -56.2 -38.4 48.5 4.4 40.9 29 131 A E H 3> S+ 0 0 61 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.850 112.4 51.2 -74.1 -30.4 51.8 5.6 42.3 30 132 A I H <> S+ 0 0 15 -3,-0.6 4,-2.3 2,-0.2 5,-0.2 0.929 108.9 47.9 -74.3 -44.4 50.5 9.2 41.8 31 133 A A H X>S+ 0 0 7 -4,-2.4 5,-2.6 1,-0.2 4,-0.8 0.875 111.9 52.3 -65.8 -34.4 47.2 8.7 43.6 32 134 A R H ><5S+ 0 0 173 -4,-1.7 3,-0.5 -5,-0.3 -2,-0.2 0.966 112.1 44.2 -62.8 -49.0 49.0 7.0 46.4 33 135 A A H 3<5S+ 0 0 23 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.845 121.0 39.3 -64.7 -36.9 51.5 10.0 46.8 34 136 A L H 3<5S- 0 0 6 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.490 109.4-124.7 -93.4 -4.3 48.7 12.7 46.5 35 137 A E T <<5 + 0 0 119 -4,-0.8 2,-0.2 -3,-0.5 -3,-0.2 0.934 55.5 156.5 56.0 50.9 46.4 10.5 48.6 36 138 A L < - 0 0 29 -5,-2.6 -1,-0.2 -6,-0.1 3,-0.1 -0.654 53.5 -96.1-100.6 156.2 43.7 10.5 46.0 37 139 A R > - 0 0 69 -2,-0.2 3,-1.6 1,-0.1 -11,-0.2 -0.359 66.3 -81.8 -60.9 154.9 40.8 8.1 45.4 38 140 A A T 3 S+ 0 0 102 1,-0.3 -1,-0.1 -3,-0.1 3,-0.1 -0.457 116.9 13.9 -69.8 135.3 42.1 5.7 42.7 39 141 A G T 3 S+ 0 0 43 -13,-0.6 -1,-0.3 1,-0.2 3,-0.1 0.598 88.4 160.8 77.9 9.8 41.7 7.0 39.2 40 142 A E < - 0 0 54 -3,-1.6 -14,-2.7 -15,-0.2 -1,-0.2 -0.352 49.4 -96.3 -56.3 142.7 41.1 10.5 40.5 41 143 A T E -H 25 0B 60 -16,-0.2 24,-2.1 -3,-0.1 25,-0.4 -0.465 48.2-179.2 -65.9 130.2 41.6 13.2 37.9 42 144 A V E -HI 24 64B 0 -18,-3.0 -18,-2.5 22,-0.2 2,-0.5 -0.901 25.5-129.3-125.2 154.0 45.0 14.9 38.0 43 145 A V E -HI 23 63B 0 20,-2.5 20,-2.5 -2,-0.3 2,-0.5 -0.914 25.8-162.4 -99.6 130.0 46.6 17.6 36.0 44 146 A T E -HI 22 62B 4 -22,-3.3 -22,-2.4 -2,-0.5 2,-0.4 -0.960 6.4-171.9-117.4 138.7 50.0 16.8 34.6 45 147 A I E -HI 21 61B 0 16,-2.0 16,-2.8 -2,-0.5 2,-0.5 -0.965 8.4-164.6-123.5 136.1 52.6 19.2 33.4 46 148 A R E +HI 20 60B 35 -26,-1.7 -27,-2.4 -2,-0.4 -26,-1.8 -0.993 23.2 168.1-112.9 133.9 55.8 18.6 31.6 47 149 A R E -HI 18 59B 16 12,-2.8 12,-2.9 -2,-0.5 2,-0.4 -0.965 28.1-141.2-146.3 159.9 58.3 21.5 31.4 48 150 A Q E -HI 17 58B 16 -31,-2.6 -31,-3.0 -2,-0.3 2,-0.5 -0.962 11.3-158.4-118.3 131.2 61.8 22.4 30.6 49 151 A L E -HI 16 57B 9 8,-2.5 7,-3.4 -2,-0.4 8,-2.0 -0.945 10.7-164.7-106.3 133.9 63.9 24.9 32.4 50 152 A S E -HI 15 55B 25 -35,-2.7 -35,-2.9 -2,-0.5 2,-0.4 -0.946 7.6-165.0-114.9 143.7 66.8 26.5 30.7 51 153 A X S S- 0 0 14 3,-2.0 3,-0.4 -2,-0.4 -2,-0.0 -0.997 80.0 -2.6-129.2 123.1 69.7 28.4 32.2 52 154 A N S S- 0 0 132 -2,-0.4 -1,-0.1 1,-0.2 0, 0.0 0.870 130.5 -58.2 59.1 41.2 71.9 30.5 29.9 53 155 A H S S+ 0 0 178 1,-0.2 -1,-0.2 -3,-0.1 -3,-0.0 0.745 115.6 104.2 72.8 22.5 70.0 29.4 26.9 54 156 A X S S- 0 0 115 -3,-0.4 -3,-2.0 0, 0.0 -1,-0.2 -0.992 79.1-106.9-131.9 135.0 70.6 25.7 27.3 55 157 A P E +I 50 0B 40 0, 0.0 -5,-0.3 0, 0.0 3,-0.1 -0.357 46.3 161.0 -60.2 130.6 68.0 23.1 28.6 56 158 A T E + 0 0 9 -7,-3.4 90,-3.0 1,-0.4 2,-0.4 0.655 54.8 33.5-125.3 -33.5 68.9 22.1 32.1 57 159 A V E -IJ 49 145B 1 -8,-2.0 -8,-2.5 88,-0.2 2,-0.5 -0.997 51.1-163.1-131.5 140.0 65.9 20.5 33.8 58 160 A I E -IJ 48 144B 3 86,-2.4 86,-3.0 -2,-0.4 2,-0.4 -0.993 22.1-170.3-114.8 120.9 63.0 18.4 32.6 59 161 A D E -IJ 47 143B 1 -12,-2.9 -12,-2.8 -2,-0.5 2,-0.4 -0.966 14.7-167.8-112.4 135.8 60.2 18.4 35.2 60 162 A D E -IJ 46 142B 24 82,-2.4 82,-3.2 -2,-0.4 2,-0.4 -0.972 16.7-171.8-116.6 133.0 57.1 16.3 35.2 61 163 A L E -IJ 45 141B 0 -16,-2.8 -16,-2.0 -2,-0.4 2,-0.4 -0.950 14.3-164.9-128.6 145.0 54.4 17.4 37.7 62 164 A W E +IJ 44 140B 41 78,-2.5 78,-2.1 -2,-0.4 -18,-0.2 -1.000 13.7 176.5-131.2 130.6 51.2 15.9 38.9 63 165 A L E -I 43 0B 0 -20,-2.5 -20,-2.5 -2,-0.4 2,-0.3 -0.951 37.9 -97.7-133.2 146.6 48.5 18.0 40.8 64 166 A P E >> -I 42 0B 2 0, 0.0 3,-0.9 0, 0.0 4,-0.6 -0.532 27.3-141.1 -69.8 132.7 45.1 17.1 42.1 65 167 A G G >4 S+ 0 0 0 -24,-2.1 3,-0.8 -2,-0.3 -23,-0.1 0.812 94.3 66.5 -62.7 -31.0 42.4 18.2 39.7 66 168 A T G 34 S+ 0 0 62 -25,-0.4 3,-0.4 1,-0.2 -1,-0.2 0.876 110.4 35.1 -60.4 -35.2 40.0 19.4 42.4 67 169 A H G <4 S+ 0 0 96 -3,-0.9 -1,-0.2 1,-0.2 -2,-0.2 0.458 119.2 50.9 -96.9 -4.8 42.3 22.2 43.6 68 170 A F X< + 0 0 0 -3,-0.8 3,-2.0 -4,-0.6 2,-0.3 -0.085 68.5 151.4-130.3 32.9 43.7 23.1 40.1 69 171 A R T 3 S+ 0 0 173 -3,-0.4 3,-0.1 1,-0.3 -3,-0.0 -0.488 72.6 28.2 -63.4 126.2 40.5 23.5 38.0 70 172 A G T 3 S+ 0 0 50 -2,-0.3 2,-1.5 1,-0.2 -1,-0.3 0.417 81.0 135.9 99.3 -4.6 41.2 25.9 35.3 71 173 A L < + 0 0 5 -3,-2.0 2,-0.3 -6,-0.1 -1,-0.2 -0.615 35.3 153.5 -77.4 93.5 44.9 25.0 35.2 72 174 A T > - 0 0 64 -2,-1.5 4,-2.3 -3,-0.1 5,-0.2 -0.741 63.9-107.2-123.8 168.5 45.3 24.8 31.5 73 175 A L H > S+ 0 0 83 -52,-0.4 4,-1.5 -2,-0.3 5,-0.3 0.897 121.2 56.2 -59.0 -37.2 47.9 25.1 28.8 74 176 A E H > S+ 0 0 67 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.918 108.2 46.7 -62.2 -44.6 46.1 28.5 27.9 75 177 A L H > S+ 0 0 40 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.939 110.9 51.8 -62.1 -47.3 46.6 29.8 31.4 76 178 A L H < S+ 0 0 13 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.775 115.9 40.2 -64.9 -27.4 50.2 28.7 31.6 77 179 A T H < S+ 0 0 99 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.791 113.0 53.4 -94.4 -26.3 51.1 30.5 28.4 78 180 A A H < S+ 0 0 91 -4,-2.2 2,-0.2 -5,-0.3 -2,-0.2 0.848 103.3 78.2 -72.8 -27.1 49.0 33.5 29.1 79 181 A S < - 0 0 38 -4,-1.9 7,-0.0 -5,-0.2 -4,-0.0 -0.573 63.2-156.0 -99.8 143.2 50.8 33.9 32.5 80 182 A K + 0 0 110 -2,-0.2 -1,-0.1 2,-0.0 -4,-0.1 0.698 58.5 123.6 -73.6 -20.7 54.2 35.2 33.3 81 183 A A - 0 0 39 1,-0.1 -2,-0.1 2,-0.1 5,-0.0 -0.082 66.4-122.9 -75.1 136.3 54.4 33.3 36.5 82 184 A P > - 0 0 49 0, 0.0 4,-2.2 0, 0.0 5,-0.2 -0.383 43.4-112.1 -45.2 141.5 56.8 30.7 38.0 83 185 A L H > S+ 0 0 8 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.886 115.1 48.6 -60.7 -46.4 54.7 27.7 38.7 84 186 A Y H > S+ 0 0 16 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.880 112.8 49.8 -59.9 -36.5 54.8 27.8 42.5 85 187 A G H > S+ 0 0 9 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.846 111.7 48.8 -70.7 -36.3 53.8 31.6 42.4 86 188 A L H X>S+ 0 0 10 -4,-2.2 4,-2.8 2,-0.2 5,-0.9 0.908 107.7 54.0 -65.8 -48.4 50.9 30.7 40.0 87 189 A F H X5S+ 0 0 0 -4,-2.8 6,-2.5 1,-0.2 4,-0.6 0.892 115.4 41.5 -57.9 -34.0 49.8 28.0 42.3 88 190 A E H X5S+ 0 0 31 -4,-1.6 4,-0.9 4,-0.3 -2,-0.2 0.930 122.5 36.2 -76.6 -45.4 49.7 30.5 45.2 89 191 A S H <5S+ 0 0 101 -4,-2.5 -3,-0.2 2,-0.2 -2,-0.2 0.836 128.3 29.6 -88.5 -31.8 48.2 33.5 43.4 90 192 A E H <5S+ 0 0 117 -4,-2.8 -3,-0.2 -5,-0.2 -1,-0.2 0.806 136.4 23.1 -96.4 -28.8 45.8 31.8 41.0 91 193 A F H < - 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