==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-OCT-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 14-AUG-13 4M99 . COMPND 2 MOLECULE: PILIN GLYCOSYLATION PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA GONORRHOEAE; . AUTHOR M.J.MORRISON,B.IMPERIALI . 617 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21932.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 491 79.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 190 30.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 19 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.5 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 . 3 0.5 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 . 74 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 71 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 73 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.8 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 2 0 0 0 0 0 0 0 0 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 47 0 0 6 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 5 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 . 2 0 1 2 6 0 3 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 1 198 A G 0 0 119 0, 0.0 2,-0.1 0, 0.0 59,-0.0 0.000 360.0 360.0 360.0 166.5 -1.8 -11.0 -46.6 2 199 A N - 0 0 35 1,-0.1 60,-0.1 57,-0.1 59,-0.1 -0.378 360.0-154.0 -62.4 143.9 -4.3 -13.3 -44.9 3 200 A R S S+ 0 0 149 58,-0.3 25,-2.9 24,-0.1 26,-1.5 0.464 74.0 64.2 -96.5 -4.4 -7.9 -12.5 -45.9 4 201 A K E -ab 29 62A 55 57,-0.9 59,-2.8 24,-0.2 2,-0.4 -0.943 61.4-161.5-125.7 141.8 -9.4 -13.9 -42.7 5 202 A L E -ab 30 63A 0 24,-2.4 26,-3.1 -2,-0.4 2,-0.6 -0.986 4.3-158.2-123.4 130.5 -9.1 -12.9 -39.1 6 203 A A E -ab 31 64A 0 57,-3.0 59,-2.2 -2,-0.4 2,-0.7 -0.937 8.6-158.4-108.2 115.7 -9.9 -15.1 -36.1 7 204 A V E -ab 32 65A 0 24,-4.0 26,-2.5 -2,-0.6 2,-0.6 -0.839 9.2-147.0 -95.3 114.5 -10.6 -13.1 -32.9 8 205 A I E S+ab 33 66A 1 57,-3.1 59,-2.0 -2,-0.7 26,-0.2 -0.741 71.3 40.3 -86.0 118.1 -10.1 -15.2 -29.8 9 206 A G - 0 0 9 24,-3.1 25,-0.2 -2,-0.6 58,-0.1 0.465 57.9-157.4 109.6 107.7 -12.6 -14.2 -27.1 10 207 A A + 0 0 8 4,-0.1 24,-0.1 22,-0.1 58,-0.1 0.097 57.1 113.0-102.4 20.5 -16.2 -13.4 -27.8 11 208 A G S > S- 0 0 44 56,-0.3 4,-1.6 1,-0.0 5,-0.1 0.149 92.3 -74.3 -68.6-162.7 -16.8 -11.3 -24.7 12 209 A G H > S+ 0 0 17 2,-0.2 4,-1.5 1,-0.2 520,-0.1 0.890 136.8 50.2 -69.4 -40.5 -17.4 -7.6 -24.7 13 210 A H H > S+ 0 0 24 1,-0.2 4,-2.5 2,-0.2 3,-0.5 0.950 107.8 54.9 -56.9 -50.9 -13.8 -6.8 -25.4 14 211 A G H > S+ 0 0 0 53,-0.4 4,-2.4 1,-0.2 -2,-0.2 0.847 104.5 54.7 -50.6 -37.2 -14.0 -9.3 -28.3 15 212 A K H X S+ 0 0 34 -4,-1.6 4,-1.7 1,-0.2 -1,-0.2 0.887 109.7 45.5 -68.5 -37.6 -17.0 -7.4 -29.7 16 213 A V H X S+ 0 0 5 -4,-1.5 4,-2.1 -3,-0.5 -2,-0.2 0.904 114.0 48.1 -71.8 -41.5 -15.0 -4.2 -29.8 17 214 A V H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.894 110.6 51.4 -65.5 -41.2 -11.9 -5.7 -31.3 18 215 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.3 -1,-0.2 0.918 112.5 46.4 -63.3 -41.5 -14.0 -7.5 -34.0 19 216 A E H X S+ 0 0 16 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.839 108.8 56.3 -67.8 -32.4 -15.6 -4.2 -34.8 20 217 A L H X S+ 0 0 1 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.970 110.9 43.2 -58.6 -53.6 -12.2 -2.6 -34.8 21 218 A A H X>S+ 0 0 0 -4,-2.7 4,-0.7 1,-0.2 5,-0.5 0.838 112.0 54.0 -62.8 -35.8 -11.0 -5.1 -37.4 22 219 A A H ><5S+ 0 0 45 -4,-2.2 3,-0.9 -5,-0.2 -1,-0.2 0.892 104.1 56.0 -64.4 -38.3 -14.3 -4.7 -39.3 23 220 A A H 3<5S+ 0 0 52 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.800 95.2 65.4 -64.5 -31.5 -13.7 -0.9 -39.4 24 221 A L H 3<5S- 0 0 59 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.804 92.8-151.5 -59.6 -31.4 -10.3 -1.4 -41.1 25 222 A G T <<5 + 0 0 62 -3,-0.9 -3,-0.1 -4,-0.7 -2,-0.1 0.631 63.5 105.8 71.6 16.6 -12.3 -2.7 -44.0 26 223 A T < + 0 0 84 -5,-0.5 2,-0.1 2,-0.0 -4,-0.1 0.730 53.7 83.0-102.8 -23.5 -9.5 -5.0 -45.2 27 224 A Y - 0 0 40 -6,-0.5 -23,-0.2 1,-0.1 3,-0.1 -0.474 58.8-152.4 -83.7 152.8 -10.6 -8.5 -44.2 28 225 A G S S+ 0 0 56 -25,-2.9 2,-0.3 1,-0.3 -24,-0.2 0.733 85.6 12.6 -91.1 -28.6 -12.9 -10.7 -46.2 29 226 A E E -a 4 0A 71 -26,-1.5 -24,-2.4 2,-0.0 2,-0.4 -0.966 61.1-165.2-149.0 138.4 -14.1 -12.6 -43.1 30 227 A I E +a 5 0A 18 -2,-0.3 2,-0.3 -26,-0.2 -24,-0.2 -0.987 19.7 177.5-121.7 125.9 -13.8 -12.0 -39.4 31 228 A V E -a 6 0A 0 -26,-3.1 -24,-4.0 -2,-0.4 2,-0.4 -0.856 21.4-126.1-129.7 162.9 -14.6 -14.8 -36.9 32 229 A F E -ac 7 46A 0 13,-2.6 15,-2.0 -2,-0.3 16,-0.9 -0.828 5.8-157.6-107.4 141.5 -14.6 -15.6 -33.2 33 230 A L E +ac 8 48A 0 -26,-2.5 -24,-3.1 -2,-0.4 2,-0.3 -0.989 28.0 161.1-108.5 128.7 -13.1 -18.4 -31.3 34 231 A D - 0 0 29 14,-2.7 17,-0.1 -2,-0.5 -2,-0.0 -0.964 41.2-146.9-150.4 134.1 -14.8 -19.0 -27.9 35 232 A D S S+ 0 0 113 -2,-0.3 14,-0.1 14,-0.2 -1,-0.1 0.648 101.6 16.7 -69.4 -16.1 -14.8 -21.9 -25.5 36 233 A R S S+ 0 0 207 12,-0.1 -1,-0.1 2,-0.0 -2,-0.1 0.707 101.1 85.1-125.8 -46.3 -18.5 -21.1 -24.5 37 234 A T - 0 0 50 11,-0.1 2,-0.3 -4,-0.0 -3,-0.2 -0.370 55.1-171.7 -68.6 142.9 -20.3 -18.9 -26.9 38 235 A Q + 0 0 172 2,-0.1 2,-0.5 -2,-0.1 9,-0.1 -0.901 46.9 21.1-132.0 161.7 -22.0 -20.5 -29.9 39 236 A G S S- 0 0 55 7,-0.4 7,-3.1 -2,-0.3 2,-0.4 -0.722 108.2 -34.5 87.9-129.1 -23.7 -19.3 -33.0 40 237 A S E -E 45 0B 76 -2,-0.5 2,-0.6 5,-0.3 -2,-0.1 -0.987 47.9-146.9-133.7 145.7 -22.8 -15.7 -34.0 41 238 A V E > S-E 44 0B 22 3,-3.6 3,-2.1 -2,-0.4 -2,-0.1 -0.945 80.6 -23.4-116.8 114.0 -22.0 -12.7 -31.9 42 239 A N T 3 S- 0 0 61 -2,-0.6 -1,-0.2 1,-0.3 491,-0.0 0.799 129.5 -48.3 59.6 30.3 -23.0 -9.3 -33.2 43 240 A G T 3 S+ 0 0 65 1,-0.3 -1,-0.3 0, 0.0 0, 0.0 0.082 116.5 114.9 99.8 -21.6 -23.0 -10.7 -36.8 44 241 A F E < -E 41 0B 30 -3,-2.1 -3,-3.6 -13,-0.1 -1,-0.3 -0.716 66.6-127.1 -86.1 124.1 -19.6 -12.3 -36.4 45 242 A P E -E 40 0B 42 0, 0.0 -13,-2.6 0, 0.0 2,-0.7 -0.450 6.6-139.4 -71.4 138.7 -19.8 -16.1 -36.6 46 243 A V E -c 32 0A 20 -7,-3.1 -7,-0.4 -15,-0.2 -13,-0.2 -0.906 21.3-177.1 -90.3 119.7 -18.2 -18.2 -33.8 47 244 A I E - 0 0 71 -15,-2.0 2,-0.3 -2,-0.7 -14,-0.2 0.663 54.6 -52.2 -96.8 -16.1 -16.6 -21.0 -35.7 48 245 A G E -c 33 0A 20 -16,-0.9 -14,-2.7 -3,-0.1 -1,-0.2 -0.972 66.9 -57.2 173.9-160.2 -15.3 -23.0 -32.8 49 246 A T > - 0 0 54 -2,-0.3 3,-1.9 -16,-0.3 4,-0.4 -0.390 62.2 -83.7-100.9-179.6 -13.4 -22.9 -29.5 50 247 A T T 3 S+ 0 0 36 1,-0.3 4,-0.4 2,-0.2 3,-0.3 0.525 120.1 75.5 -64.6 -2.2 -9.8 -21.9 -28.7 51 248 A L T >> S+ 0 0 92 1,-0.2 4,-2.0 2,-0.2 3,-0.9 0.734 75.4 72.3 -83.7 -23.0 -8.9 -25.5 -29.8 52 249 A L H <>>S+ 0 0 39 -3,-1.9 5,-3.1 1,-0.2 4,-2.2 0.804 88.7 67.2 -57.2 -29.1 -9.3 -24.7 -33.5 53 250 A L H 345S+ 0 0 4 -4,-0.4 -1,-0.2 -3,-0.3 -2,-0.2 0.899 111.6 29.5 -55.0 -44.6 -6.1 -22.7 -33.0 54 251 A E H <45S+ 0 0 111 -3,-0.9 -2,-0.2 -4,-0.4 -1,-0.2 0.777 131.8 32.6 -86.6 -29.2 -4.1 -25.9 -32.4 55 252 A N H <5S+ 0 0 116 -4,-2.0 -3,-0.2 3,-0.0 -2,-0.2 0.570 128.6 4.0-113.8 -13.3 -6.1 -28.4 -34.5 56 253 A S T <5S+ 0 0 80 -4,-2.2 2,-0.3 -5,-0.2 -3,-0.2 0.576 89.7 97.2-150.5 -33.6 -7.6 -26.8 -37.6 57 254 A L < - 0 0 18 -5,-3.1 -1,-0.1 1,-0.0 -51,-0.0 -0.561 60.3-138.7 -77.5 134.4 -6.8 -23.2 -38.3 58 255 A S >> - 0 0 42 -2,-0.3 4,-2.7 1,-0.1 3,-1.9 -0.796 8.7-144.5 -93.3 132.2 -4.0 -22.5 -40.8 59 256 A P T 34 S+ 0 0 31 0, 0.0 28,-0.3 0, 0.0 -1,-0.1 0.630 104.9 59.1 -61.3 -14.9 -1.4 -19.8 -40.2 60 257 A E T 34 S+ 0 0 155 1,-0.1 3,-0.1 26,-0.1 26,-0.0 0.358 115.6 31.3 -98.3 5.0 -1.5 -19.3 -44.0 61 258 A Q T <4 S+ 0 0 95 -3,-1.9 -57,-0.9 1,-0.2 2,-0.5 0.582 115.5 55.6-122.1 -30.0 -5.3 -18.6 -44.0 62 259 A F E < -b 4 0A 10 -4,-2.7 25,-0.5 -59,-0.1 2,-0.3 -0.923 55.1-156.3-121.7 126.6 -5.9 -16.8 -40.6 63 260 A D E -bd 5 87A 11 -59,-2.8 -57,-3.0 -2,-0.5 2,-0.4 -0.699 29.0-143.2 -79.5 147.8 -4.5 -13.8 -38.8 64 261 A I E +b 6 0A 0 23,-2.8 2,-0.4 -2,-0.3 -57,-0.2 -0.932 22.2 177.9-119.0 137.0 -5.0 -14.2 -35.1 65 262 A T E -b 7 0A 0 -59,-2.2 -57,-3.1 -2,-0.4 2,-0.9 -0.999 23.0-139.1-130.3 142.6 -5.9 -11.6 -32.5 66 263 A V E -b 8 0A 3 -2,-0.4 2,-1.0 41,-0.3 -57,-0.1 -0.814 16.5-176.7-101.6 100.2 -6.4 -12.4 -28.8 67 264 A A + 0 0 3 -59,-2.0 2,-0.5 -2,-0.9 -53,-0.4 -0.324 37.3 129.2 -90.2 52.4 -9.4 -10.3 -27.5 68 265 A V - 0 0 31 -2,-1.0 6,-0.1 1,-0.1 -2,-0.1 -0.942 47.5-155.5-112.3 121.7 -9.1 -11.5 -23.8 69 266 A G S S+ 0 0 33 -2,-0.5 2,-0.7 4,-0.1 -1,-0.1 0.796 70.1 93.2 -64.6 -33.1 -9.0 -8.7 -21.2 70 267 A N > - 0 0 91 1,-0.2 4,-3.2 2,-0.1 3,-0.3 -0.523 69.7-149.8 -69.4 111.3 -7.2 -10.7 -18.6 71 268 A N H > S+ 0 0 13 -2,-0.7 4,-2.6 1,-0.2 5,-0.2 0.864 92.8 48.4 -49.9 -47.1 -3.5 -9.9 -19.1 72 269 A R H > S+ 0 0 154 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.897 115.4 43.9 -64.9 -41.6 -2.1 -13.2 -17.9 73 270 A I H > S+ 0 0 69 -3,-0.3 4,-2.5 2,-0.2 5,-0.3 0.876 111.3 54.5 -70.0 -37.5 -4.6 -15.3 -20.1 74 271 A R H X S+ 0 0 2 -4,-3.2 4,-2.3 1,-0.2 5,-0.2 0.932 109.8 48.0 -60.4 -41.6 -4.0 -12.9 -23.0 75 272 A R H X S+ 0 0 56 -4,-2.6 4,-2.7 -5,-0.3 5,-0.3 0.922 110.4 53.2 -61.7 -42.5 -0.3 -13.7 -22.6 76 273 A Q H X S+ 0 0 129 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.954 116.0 35.8 -56.2 -58.0 -1.0 -17.4 -22.4 77 274 A I H X S+ 0 0 23 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.806 117.1 54.1 -70.8 -32.5 -3.0 -17.6 -25.6 78 275 A T H X S+ 0 0 2 -4,-2.3 4,-2.5 -5,-0.3 5,-0.2 0.940 110.1 44.9 -67.6 -50.5 -0.9 -15.0 -27.5 79 276 A E H X S+ 0 0 97 -4,-2.7 4,-1.9 -5,-0.2 -2,-0.2 0.929 113.9 53.4 -58.7 -43.0 2.4 -16.8 -26.8 80 277 A N H X S+ 0 0 58 -4,-1.9 4,-1.1 -5,-0.3 3,-0.4 0.955 109.4 45.9 -52.2 -58.6 0.6 -20.0 -27.8 81 278 A A H ><>S+ 0 0 0 -4,-2.7 5,-1.9 1,-0.2 3,-0.6 0.882 112.1 51.7 -55.2 -43.5 -0.6 -18.6 -31.1 82 279 A A H ><5S+ 0 0 35 -4,-2.5 3,-1.3 1,-0.2 -1,-0.2 0.835 105.3 55.5 -64.8 -33.0 2.9 -17.2 -31.9 83 280 A A H 3<5S+ 0 0 85 -4,-1.9 -1,-0.2 -3,-0.4 -2,-0.2 0.735 103.3 55.8 -74.1 -21.0 4.5 -20.5 -31.3 84 281 A L T <<5S- 0 0 70 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.215 122.3-107.2 -93.9 12.3 2.2 -22.1 -33.8 85 282 A G T < 5 + 0 0 51 -3,-1.3 2,-0.2 1,-0.2 -3,-0.2 0.699 67.8 147.7 74.1 21.9 3.4 -19.7 -36.4 86 283 A F < - 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