==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 03-NOV-04 1XX3 . COMPND 2 MOLECULE: TONB PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR R.S.PEACOCK,A.M.WELJIE,S.P.HOWARD,F.D.PRICE,H.J.VOGEL . 89 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5619.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 67 75.3 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 . 29 32.6 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 . 2 2.2 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 . 14 15.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 14.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.1 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 0 0 0 0 0 1 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 . 1 1 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 1 151 A S 0 0 179 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 159.2 10.6 11.9 10.0 2 152 A G + 0 0 44 69,-0.0 2,-0.2 2,-0.0 69,-0.1 -0.654 360.0 16.1 89.9-151.0 8.9 14.1 7.3 3 153 A P S S- 0 0 17 0, 0.0 2,-0.3 0, 0.0 65,-0.0 -0.411 77.6-138.6 -59.8 125.4 5.2 13.7 6.6 4 154 A R - 0 0 157 62,-0.2 62,-2.9 -2,-0.2 2,-0.5 -0.690 15.6-121.1 -90.4 143.0 3.5 11.9 9.4 5 155 A A E +A 65 0A 33 -2,-0.3 60,-0.2 60,-0.2 3,-0.2 -0.736 35.3 165.6 -93.5 124.4 0.8 9.3 8.5 6 156 A L E S+ 0 0 88 58,-3.0 2,-0.6 -2,-0.5 -1,-0.2 0.827 80.0 30.3 -95.5 -47.8 -2.7 9.8 9.8 7 157 A S E +A 64 0A 37 57,-1.6 2,-1.4 2,-0.1 57,-0.9 -0.753 59.6 165.8-121.0 80.4 -4.5 7.3 7.6 8 158 A R - 0 0 86 -2,-0.6 2,-0.1 -3,-0.2 80,-0.1 -0.477 28.0-171.8 -85.9 60.4 -2.2 4.4 6.7 9 159 A N - 0 0 65 -2,-1.4 53,-0.1 50,-0.2 54,-0.1 -0.369 21.8-119.8 -67.7 130.5 -5.3 2.5 5.5 10 160 A Q - 0 0 71 -2,-0.1 -1,-0.1 76,-0.1 3,-0.1 -0.461 27.2-114.4 -71.5 131.3 -4.6 -1.1 4.6 11 161 A P - 0 0 3 0, 0.0 2,-0.2 0, 0.0 45,-0.2 -0.276 40.1 -98.6 -60.6 154.5 -5.3 -2.2 1.0 12 162 A Q - 0 0 152 43,-0.5 43,-0.1 1,-0.1 46,-0.1 -0.554 33.6-112.5 -86.0 139.0 -8.1 -4.7 0.7 13 163 A Y - 0 0 21 -2,-0.2 2,-0.4 71,-0.2 -1,-0.1 -0.402 36.8-110.3 -66.8 145.4 -7.4 -8.4 0.2 14 164 A P > - 0 0 2 0, 0.0 4,-2.3 0, 0.0 5,-0.2 -0.637 10.8-148.7 -86.2 130.4 -8.3 -9.8 -3.2 15 165 A A H > S+ 0 0 70 -2,-0.4 4,-0.6 1,-0.2 -2,-0.0 0.684 101.3 51.4 -71.5 -18.5 -11.2 -12.2 -3.4 16 166 A R H 4 S+ 0 0 143 2,-0.2 4,-0.4 35,-0.1 -1,-0.2 0.885 111.3 45.3 -80.4 -42.1 -9.5 -13.9 -6.3 17 167 A A H >4>S+ 0 0 0 1,-0.2 5,-2.8 2,-0.2 3,-0.6 0.829 108.5 56.5 -73.7 -32.0 -6.2 -14.4 -4.5 18 168 A Q H ><5S+ 0 0 88 -4,-2.3 3,-0.8 1,-0.2 -1,-0.2 0.871 105.4 52.1 -64.5 -35.8 -7.9 -15.6 -1.3 19 169 A A T 3<5S+ 0 0 80 -4,-0.6 -1,-0.2 1,-0.3 -2,-0.2 0.601 112.3 46.1 -75.9 -12.9 -9.5 -18.4 -3.4 20 170 A L T < 5S- 0 0 114 -3,-0.6 -1,-0.3 -4,-0.4 -2,-0.2 0.379 111.3-126.8-103.4 -2.3 -6.0 -19.2 -4.7 21 171 A R T < 5 + 0 0 161 -3,-0.8 -3,-0.2 -4,-0.3 2,-0.2 0.801 55.2 156.1 56.9 35.0 -4.7 -19.0 -1.1 22 172 A I < - 0 0 52 -5,-2.8 2,-0.4 -6,-0.1 -1,-0.2 -0.554 35.8-145.4 -85.6 153.7 -2.0 -16.6 -2.2 23 173 A E - 0 0 82 -2,-0.2 2,-0.7 -3,-0.1 58,-0.2 -0.982 12.6-145.3-118.6 132.0 -0.4 -14.2 0.1 24 174 A G E +C 80 0B 0 56,-1.0 56,-3.2 -2,-0.4 2,-0.7 -0.858 18.0 179.2-105.3 116.9 0.6 -10.8 -1.2 25 175 A Q E -C 79 0B 97 -2,-0.7 2,-0.4 54,-0.2 54,-0.2 -0.918 18.1-173.9-111.2 103.1 3.7 -9.1 -0.0 26 176 A V E -C 78 0B 0 52,-2.3 52,-3.0 -2,-0.7 2,-0.6 -0.814 19.1-156.8-105.9 136.6 3.9 -5.8 -1.9 27 177 A K E +CD 77 45B 91 18,-3.4 17,-2.4 -2,-0.4 18,-1.5 -0.936 25.1 176.2-110.1 107.8 6.8 -3.3 -1.9 28 178 A V E -CD 76 43B 0 48,-1.8 48,-3.1 -2,-0.6 2,-0.4 -0.906 18.1-159.5-119.0 141.0 5.4 0.1 -2.9 29 179 A K E +CD 75 42B 86 13,-2.5 13,-2.8 -2,-0.4 2,-0.3 -0.953 19.4 165.9-117.5 140.7 7.1 3.5 -3.1 30 180 A F E -C 74 0B 0 44,-2.7 44,-2.6 -2,-0.4 43,-0.4 -0.857 23.6-138.7-140.1 173.6 5.2 6.8 -3.1 31 181 A D E - D 0 39B 37 8,-3.1 8,-3.2 -2,-0.3 2,-0.3 -0.897 12.0-149.9-130.0 160.5 5.7 10.5 -2.7 32 182 A V E -CD 71 38B 6 39,-2.4 39,-2.5 -2,-0.3 6,-0.2 -0.981 13.7-128.1-132.3 150.0 3.6 13.1 -0.8 33 183 A T > - 0 0 55 4,-1.6 3,-2.3 -2,-0.3 36,-0.3 -0.257 39.9 -91.5 -84.2 176.8 3.1 16.8 -1.5 34 184 A P T 3 S+ 0 0 86 0, 0.0 34,-3.4 0, 0.0 35,-0.2 0.554 130.9 58.1 -64.1 -8.2 3.6 19.8 0.9 35 185 A D T 3 S- 0 0 63 32,-0.3 30,-0.1 33,-0.2 0, 0.0 0.472 122.6-109.9 -96.0 -4.9 -0.1 19.2 1.6 36 186 A G < + 0 0 0 -3,-2.3 29,-2.0 1,-0.3 2,-0.5 0.820 65.8 153.0 80.4 32.9 0.6 15.7 2.6 37 187 A R B -B 64 0A 151 27,-0.1 -4,-1.6 29,-0.1 2,-0.3 -0.854 44.5-124.4-102.6 128.1 -1.1 14.1 -0.4 38 188 A V E +D 32 0B 26 25,-0.7 2,-0.3 -2,-0.5 -6,-0.2 -0.516 46.0 147.0 -72.5 128.1 0.0 10.7 -1.6 39 189 A D E +D 31 0B 94 -8,-3.2 -8,-3.1 -2,-0.3 3,-0.1 -0.931 42.8 47.1-151.5 169.2 1.1 10.6 -5.3 40 190 A N E + 0 0 89 -2,-0.3 2,-0.6 1,-0.2 -1,-0.1 0.828 69.2 176.9 62.7 34.6 3.6 8.9 -7.6 41 191 A V E + 0 0 33 -11,-0.1 2,-0.4 -3,-0.1 -11,-0.2 -0.606 3.2 170.6 -76.9 117.1 2.6 5.5 -6.1 42 192 A Q E -D 29 0B 133 -13,-2.8 -13,-2.5 -2,-0.6 2,-0.8 -0.994 33.8-132.5-130.7 127.4 4.4 2.7 -7.9 43 193 A I E -D 28 0B 22 -2,-0.4 -15,-0.3 -15,-0.2 3,-0.1 -0.698 20.9-172.6 -75.9 112.7 4.5 -0.9 -6.8 44 194 A L E - 0 0 76 -17,-2.4 2,-0.3 -2,-0.8 -16,-0.2 0.878 66.7 -11.8 -75.6 -39.6 8.1 -1.8 -7.0 45 195 A S E +D 27 0B 73 -18,-1.5 -18,-3.4 -3,-0.1 -1,-0.3 -0.982 63.8 170.7-159.2 152.7 7.6 -5.5 -6.4 46 196 A A - 0 0 30 -2,-0.3 3,-0.3 -20,-0.3 -20,-0.2 -0.971 44.0-108.9-158.4 164.2 4.8 -7.9 -5.3 47 197 A K S S+ 0 0 133 1,-0.3 2,-0.6 -2,-0.3 -1,-0.2 0.997 114.7 15.7 -61.4 -74.2 4.1 -11.6 -5.0 48 198 A P S > S- 0 0 23 0, 0.0 4,-1.3 0, 0.0 5,-0.5 -0.929 86.9-140.8 -97.9 124.9 1.5 -11.6 -7.8 49 199 A A H >> S+ 0 0 57 -2,-0.6 4,-2.1 -3,-0.3 3,-0.8 0.919 88.3 14.6 -44.0 -83.3 1.8 -8.4 -9.9 50 200 A N H 3> S+ 0 0 117 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.484 113.2 77.6 -84.0 -2.6 -1.6 -7.1 -10.8 51 201 A M H 34 S+ 0 0 31 2,-0.1 -1,-0.2 1,-0.1 4,-0.2 0.849 116.5 12.8 -73.5 -35.8 -3.4 -9.3 -8.3 52 202 A F H XX S+ 0 0 0 -4,-1.3 4,-2.2 -3,-0.8 3,-0.5 0.701 113.3 76.2-110.9 -29.9 -2.5 -7.1 -5.4 53 203 A E H 3X S+ 0 0 42 -4,-2.1 4,-2.5 -5,-0.5 5,-0.2 0.858 93.0 57.2 -48.0 -42.8 -1.2 -3.9 -7.2 54 204 A R H 3X S+ 0 0 107 -4,-0.6 4,-1.4 1,-0.2 -1,-0.2 0.911 110.6 40.0 -59.3 -46.0 -4.8 -3.0 -8.0 55 205 A E H <> S+ 0 0 27 -3,-0.5 4,-1.5 -4,-0.2 -43,-0.5 0.794 112.2 57.5 -79.5 -27.2 -6.0 -2.9 -4.3 56 206 A V H >X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 3,-0.6 0.969 106.0 48.5 -63.0 -53.9 -2.8 -1.3 -3.1 57 207 A K H 3X S+ 0 0 78 -4,-2.5 4,-1.4 1,-0.3 -2,-0.2 0.871 107.7 56.9 -54.0 -40.2 -3.3 1.7 -5.4 58 208 A N H 3< S+ 0 0 92 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.876 111.2 42.8 -59.3 -39.2 -6.9 2.0 -4.2 59 209 A A H XX S+ 0 0 5 -4,-1.5 3,-2.5 -3,-0.6 4,-0.8 0.917 108.1 57.6 -73.1 -44.5 -5.6 2.3 -0.6 60 210 A M H 3< S+ 0 0 2 -4,-2.7 3,-0.3 1,-0.3 -1,-0.2 0.756 97.2 64.2 -59.9 -25.7 -2.8 4.6 -1.4 61 211 A R T 3< S+ 0 0 212 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.613 108.1 41.6 -73.4 -12.7 -5.3 7.0 -2.9 62 212 A R T <4 S+ 0 0 157 -3,-2.5 -1,-0.2 -4,-0.1 -2,-0.2 0.479 83.5 120.6-111.5 -9.6 -6.8 7.4 0.6 63 213 A W < - 0 0 9 -4,-0.8 -25,-0.7 -3,-0.3 2,-0.5 -0.366 50.0-154.8 -56.0 131.2 -3.6 7.5 2.6 64 214 A R E -AB 7 37A 91 -57,-0.9 -58,-3.0 -27,-0.1 -57,-1.6 -0.958 11.9-173.5-119.5 125.4 -3.5 10.8 4.5 65 215 A Y E -A 5 0A 7 -29,-2.0 -60,-0.2 -2,-0.5 4,-0.1 -0.906 39.5 -90.5-116.3 143.3 -0.3 12.5 5.6 66 216 A E > - 0 0 70 -62,-2.9 3,-0.7 -2,-0.4 -62,-0.2 -0.320 48.3-120.7 -52.6 120.1 0.1 15.6 7.8 67 217 A P T 3 S+ 0 0 80 0, 0.0 -32,-0.3 0, 0.0 -31,-0.1 -0.175 92.4 55.7 -60.8 156.7 0.1 18.7 5.6 68 218 A G T 3 S+ 0 0 58 -34,-3.4 -33,-0.2 1,-0.1 -2,-0.1 0.314 95.1 85.7 97.6 -6.1 3.0 21.0 5.7 69 219 A K < - 0 0 114 -3,-0.7 2,-0.3 -36,-0.3 -33,-0.2 -0.951 57.7-163.9-135.9 114.7 5.4 18.2 4.8 70 220 A P - 0 0 75 0, 0.0 2,-0.4 0, 0.0 -37,-0.2 -0.655 12.0-159.1 -86.9 150.8 6.3 16.9 1.4 71 221 A G E -C 32 0B 8 -39,-2.5 -39,-2.4 -2,-0.3 2,-0.4 -0.990 8.0-168.1-134.6 143.5 8.0 13.5 1.0 72 222 A S E + 0 0 110 -2,-0.4 -41,-0.2 -41,-0.2 -39,-0.0 -0.976 69.0 9.9-136.0 120.9 10.0 11.9 -1.7 73 223 A G E S+ 0 0 43 -2,-0.4 2,-0.7 -43,-0.4 -1,-0.2 0.942 71.3 168.2 83.2 52.6 11.0 8.3 -2.1 74 224 A I E -C 30 0B 40 -44,-2.6 -44,-2.7 -3,-0.2 2,-0.4 -0.872 10.3-173.9-104.6 109.6 8.9 6.7 0.6 75 225 A V E +C 29 0B 72 -2,-0.7 -46,-0.3 -46,-0.3 2,-0.3 -0.877 6.9 170.6-108.9 133.0 8.9 2.9 0.3 76 226 A V E -C 28 0B 5 -48,-3.1 -48,-1.8 -2,-0.4 2,-0.4 -0.811 25.3-129.8-129.5 171.4 6.7 0.7 2.5 77 227 A N E -C 27 0B 19 12,-0.8 12,-3.4 -2,-0.3 2,-0.6 -0.988 12.6-154.6-129.5 125.4 5.8 -3.0 2.5 78 228 A I E -CE 26 88B 0 -52,-3.0 -52,-2.3 -2,-0.4 2,-0.8 -0.883 5.2-156.3-105.1 123.5 2.3 -4.4 2.7 79 229 A L E -CE 25 87B 19 8,-3.2 8,-1.0 -2,-0.6 2,-0.9 -0.845 7.4-172.6-100.3 101.4 1.8 -7.8 4.2 80 230 A F E -CE 24 86B 0 -56,-3.2 -56,-1.0 -2,-0.8 6,-0.2 -0.846 19.1-153.8 -92.7 101.7 -1.4 -9.5 3.0 81 231 A K E >> - E 0 85B 82 4,-1.8 3,-3.2 -2,-0.9 4,-1.0 -0.515 24.2-111.7 -85.7 149.8 -1.5 -12.6 5.1 82 232 A I T 34 S+ 0 0 70 1,-0.3 -1,-0.1 2,-0.2 -61,-0.1 0.708 113.7 65.3 -54.0 -28.9 -3.4 -15.7 3.9 83 233 A N T 34 S- 0 0 135 1,-0.1 -1,-0.3 -62,-0.0 -60,-0.0 0.613 124.8 -99.3 -70.5 -10.5 -6.1 -15.4 6.6 84 234 A G T <4 S+ 0 0 36 -3,-3.2 2,-0.2 1,-0.3 -71,-0.2 0.730 79.8 136.1 96.6 26.9 -7.1 -12.2 4.8 85 235 A T E < -E 81 0B 67 -4,-1.0 -4,-1.8 -73,-0.1 2,-0.4 -0.668 38.6-148.4-106.0 165.1 -5.3 -9.8 7.1 86 236 A T E +E 80 0B 42 -2,-0.2 2,-0.3 -6,-0.2 -6,-0.2 -0.986 17.1 169.9-140.9 139.5 -3.3 -6.7 6.2 87 237 A E E -E 79 0B 123 -8,-1.0 -8,-3.2 -2,-0.4 2,-0.4 -0.993 17.9-147.7-148.0 145.2 -0.3 -4.9 7.6 88 238 A I E E 78 0B 20 -2,-0.3 -10,-0.2 -10,-0.2 -78,-0.0 -0.971 360.0 360.0-120.5 131.8 2.0 -2.1 6.4 89 239 A Q 0 0 148 -12,-3.4 -12,-0.8 -2,-0.4 -11,-0.0 -0.751 360.0 360.0 -85.3 360.0 5.7 -1.8 7.2