==== 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 4M98 . COMPND 2 MOLECULE: PILIN GLYCOSYLATION PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA GONORRHOEAE; . AUTHOR M.J.MORRISON,B.IMPERIALI . 205 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8667.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 163 79.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 63 30.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 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 . 1 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 . 23 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.5 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 1 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 16 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 1 0 2 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 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 1 199 A N 0 0 84 0, 0.0 59,-0.1 0, 0.0 60,-0.1 0.000 360.0 360.0 360.0 161.0 -5.6 -34.7 -0.6 2 200 A R + 0 0 62 58,-0.2 25,-3.0 24,-0.1 26,-1.2 0.729 360.0 50.7 -78.1 -23.3 -9.3 -34.3 -0.0 3 201 A K E -ab 28 61A 73 57,-1.4 59,-2.9 24,-0.2 2,-0.4 -0.861 63.8-154.3-121.7 150.6 -8.9 -32.6 3.4 4 202 A L E -ab 29 62A 0 24,-2.4 26,-2.7 -2,-0.3 2,-0.6 -0.989 3.1-158.9-123.4 128.8 -6.9 -29.7 4.7 5 203 A A E -ab 30 63A 0 57,-2.9 59,-2.1 -2,-0.4 2,-0.6 -0.942 8.8-158.3-104.2 117.9 -5.8 -29.2 8.4 6 204 A V E -ab 31 64A 0 24,-3.2 26,-2.1 -2,-0.6 2,-0.8 -0.873 10.6-146.5 -95.3 115.3 -5.0 -25.6 9.2 7 205 A I E S+ab 32 65A 2 57,-3.0 59,-1.6 -2,-0.6 26,-0.2 -0.783 72.9 37.7 -89.6 112.2 -2.8 -25.6 12.3 8 206 A G - 0 0 8 24,-3.1 25,-0.2 -2,-0.8 58,-0.1 0.355 58.7-158.9 111.9 111.9 -3.6 -22.4 14.3 9 207 A A + 0 0 9 4,-0.1 24,-0.1 22,-0.1 58,-0.1 -0.058 56.2 111.2-112.0 29.5 -7.1 -21.1 14.6 10 208 A G S > S- 0 0 43 56,-0.4 4,-2.2 30,-0.0 5,-0.2 -0.045 93.4 -69.0 -82.1-164.9 -6.2 -17.6 15.6 11 209 A G H > S+ 0 0 51 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.902 137.2 49.0 -58.2 -45.1 -6.9 -14.6 13.3 12 210 A H H > S+ 0 0 36 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.927 110.4 53.3 -58.9 -46.1 -4.3 -15.6 10.8 13 211 A G H > S+ 0 0 0 53,-0.4 4,-2.8 1,-0.2 -2,-0.2 0.882 104.7 53.9 -55.7 -42.2 -5.8 -19.1 10.8 14 212 A K H X S+ 0 0 94 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.912 110.8 46.5 -59.6 -41.5 -9.3 -17.7 10.1 15 213 A V H X S+ 0 0 63 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.914 113.2 48.6 -68.8 -41.3 -8.0 -15.9 7.0 16 214 A V H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.913 110.1 51.5 -65.8 -42.0 -6.1 -18.9 5.8 17 215 A A H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.922 110.9 48.0 -62.4 -42.4 -9.1 -21.2 6.2 18 216 A E H X S+ 0 0 106 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.867 109.4 54.0 -63.8 -36.5 -11.2 -18.7 4.2 19 217 A L H X S+ 0 0 1 -4,-2.1 4,-0.9 2,-0.2 -2,-0.2 0.955 110.7 45.6 -60.2 -50.7 -8.5 -18.6 1.5 20 218 A A H >X>S+ 0 0 1 -4,-2.7 4,-0.8 1,-0.2 3,-0.7 0.891 111.0 52.8 -60.2 -39.9 -8.6 -22.4 1.3 21 219 A A H ><5S+ 0 0 49 -4,-2.4 3,-0.9 1,-0.2 -1,-0.2 0.904 104.6 56.5 -63.6 -38.6 -12.4 -22.4 1.2 22 220 A A H 3<5S+ 0 0 54 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.735 96.7 63.9 -63.4 -24.4 -12.3 -19.9 -1.7 23 221 A L H <<5S- 0 0 52 -4,-0.9 -1,-0.2 -3,-0.7 -2,-0.2 0.810 91.1-150.8 -71.4 -30.0 -10.1 -22.3 -3.7 24 222 A G T <<5 + 0 0 66 -3,-0.9 -3,-0.1 -4,-0.8 -2,-0.1 0.748 64.2 108.4 68.6 27.1 -13.0 -24.8 -3.8 25 223 A T < + 0 0 100 -5,-0.6 2,-0.4 3,-0.0 -4,-0.1 0.578 53.8 81.1-112.4 -15.3 -10.7 -27.7 -4.0 26 224 A Y - 0 0 38 -6,-0.4 -23,-0.2 1,-0.1 3,-0.1 -0.780 60.2-152.2 -98.3 139.7 -11.0 -29.3 -0.5 27 225 A G S S+ 0 0 71 -25,-3.0 2,-0.3 -2,-0.4 -24,-0.2 0.797 87.7 7.8 -71.8 -30.9 -13.7 -31.6 0.6 28 226 A E E -a 3 0A 83 -26,-1.2 -24,-2.4 -3,-0.1 2,-0.4 -0.984 60.8-160.1-153.3 141.8 -13.2 -30.5 4.2 29 227 A I E +a 4 0A 19 -2,-0.3 2,-0.3 -26,-0.2 -24,-0.2 -0.994 23.0 169.6-124.0 126.2 -11.2 -27.8 6.0 30 228 A V E -a 5 0A 0 -26,-2.7 -24,-3.2 -2,-0.4 2,-0.3 -0.867 24.1-125.6-132.1 164.7 -10.5 -28.2 9.7 31 229 A F E -ac 6 45A 0 13,-2.9 15,-2.0 -2,-0.3 16,-0.7 -0.852 5.0-158.8-109.0 146.9 -8.4 -26.6 12.4 32 230 A L E +ac 7 47A 0 -26,-2.1 -24,-3.1 -2,-0.3 2,-0.3 -0.985 31.4 157.7-108.4 137.0 -5.9 -28.0 14.9 33 231 A D - 0 0 27 14,-2.2 -2,-0.0 -2,-0.4 14,-0.0 -0.982 40.1-150.9-159.2 150.1 -5.4 -25.6 17.8 34 232 A D S S+ 0 0 105 -2,-0.3 14,-0.1 14,-0.2 3,-0.1 0.448 94.7 40.5-101.7 -2.9 -4.2 -25.8 21.4 35 233 A R S S+ 0 0 100 1,-0.1 2,-0.4 2,-0.0 -1,-0.1 0.574 107.3 53.8-123.0 -18.0 -6.2 -23.0 22.9 36 234 A T - 0 0 46 2,-0.1 2,-0.2 4,-0.0 -3,-0.2 -0.934 56.8-168.2-126.6 147.7 -9.7 -23.2 21.4 37 235 A Q + 0 0 181 -2,-0.4 2,-0.6 2,-0.1 9,-0.1 -0.763 55.5 28.0-124.7 173.0 -12.3 -25.9 21.1 38 236 A G S S- 0 0 55 7,-0.4 7,-3.0 -2,-0.2 2,-0.3 -0.682 109.0 -30.5 82.3-120.5 -15.5 -26.4 19.1 39 237 A S E -D 44 0B 80 -2,-0.6 2,-0.4 5,-0.3 -2,-0.1 -0.960 47.4-152.2-136.1 154.8 -15.5 -24.4 15.9 40 238 A V E > S-D 43 0B 22 3,-2.9 3,-2.2 -2,-0.3 -2,-0.0 -0.991 79.9 -17.9-130.2 121.1 -14.0 -21.2 14.7 41 239 A N T 3 S- 0 0 78 -2,-0.4 -1,-0.1 1,-0.3 0, 0.0 0.804 129.3 -51.4 55.6 31.1 -15.5 -19.1 12.0 42 240 A G T 3 S+ 0 0 70 1,-0.3 -1,-0.3 0, 0.0 -3,-0.0 0.451 116.9 109.1 87.5 1.0 -17.6 -22.1 10.9 43 241 A F E < S-D 40 0B 29 -3,-2.2 -3,-2.9 -15,-0.0 -1,-0.3 -0.924 70.5-117.0-109.1 135.6 -14.7 -24.5 10.6 44 242 A P E -D 39 0B 49 0, 0.0 -13,-2.9 0, 0.0 2,-0.9 -0.445 8.7-139.5 -74.6 141.5 -14.3 -27.3 13.2 45 243 A V E -c 31 0A 18 -7,-3.0 -7,-0.4 -15,-0.2 -13,-0.2 -0.877 22.4-175.0 -90.2 105.4 -11.4 -27.6 15.5 46 244 A I E - 0 0 72 -15,-2.0 2,-0.3 -2,-0.9 -14,-0.2 0.606 54.0 -48.9 -85.0 -10.5 -10.9 -31.3 15.4 47 245 A G E -c 32 0A 21 -16,-0.7 -14,-2.2 -3,-0.1 -1,-0.2 -0.980 66.4 -61.5 167.7-175.2 -8.1 -31.4 18.0 48 246 A T > - 0 0 61 -2,-0.3 3,-1.8 -16,-0.2 4,-0.2 -0.262 61.6 -88.3 -83.9 178.3 -4.9 -30.1 19.4 49 247 A T T >> S+ 0 0 35 1,-0.3 3,-1.3 2,-0.2 4,-0.6 0.638 116.8 81.4 -65.4 -12.4 -1.5 -30.2 17.6 50 248 A L H 3> S+ 0 0 111 1,-0.2 4,-1.7 2,-0.2 3,-0.3 0.775 77.9 70.9 -63.2 -22.4 -0.9 -33.6 19.1 51 249 A L H <>>S+ 0 0 37 -3,-1.8 4,-2.7 1,-0.2 5,-2.3 0.805 86.8 66.7 -62.1 -27.8 -3.1 -35.0 16.3 52 250 A L H <45S+ 0 0 5 -3,-1.3 -1,-0.2 -4,-0.2 -2,-0.2 0.934 112.0 28.2 -60.5 -49.1 -0.3 -34.2 13.8 53 251 A E H <5S+ 0 0 89 -4,-0.6 -1,-0.2 -3,-0.3 -2,-0.2 0.789 134.0 33.2 -81.9 -27.2 2.2 -36.7 15.1 54 252 A N H <5S+ 0 0 123 -4,-1.7 -3,-0.2 3,-0.0 -2,-0.2 0.710 127.1 9.6-106.1 -26.2 -0.4 -39.2 16.5 55 253 A S T <5S+ 0 0 78 -4,-2.7 -3,-0.2 -5,-0.2 -4,-0.1 0.756 89.2 89.9-130.4 -52.3 -3.6 -39.3 14.4 56 254 A L < - 0 0 22 -5,-2.3 -1,-0.0 1,-0.1 -51,-0.0 -0.325 61.6-138.8 -63.6 137.2 -3.8 -37.5 11.0 57 255 A S >> - 0 0 53 1,-0.1 4,-2.4 -2,-0.1 3,-2.1 -0.832 7.4-142.9 -95.7 132.5 -2.8 -39.5 8.0 58 256 A P T 34 S+ 0 0 46 0, 0.0 28,-0.3 0, 0.0 -1,-0.1 0.611 103.1 65.1 -64.5 -11.9 -0.7 -37.8 5.3 59 257 A E T 34 S+ 0 0 104 1,-0.1 3,-0.1 26,-0.1 26,-0.0 0.509 114.7 28.0 -85.4 -5.6 -2.8 -39.8 2.8 60 258 A Q T <4 S+ 0 0 37 -3,-2.1 -57,-1.4 1,-0.2 2,-0.5 0.649 115.8 54.9-124.5 -32.5 -5.9 -37.9 3.9 61 259 A F E < -b 3 0A 27 -4,-2.4 25,-0.4 -59,-0.1 -1,-0.2 -0.943 53.9-157.9-118.0 130.1 -4.8 -34.5 5.1 62 260 A D E -b 4 0A 15 -59,-2.9 -57,-2.9 -2,-0.5 2,-0.4 -0.627 27.4-140.4 -79.5 156.7 -2.8 -31.7 3.6 63 261 A I E +b 5 0A 0 23,-2.5 2,-0.4 -2,-0.2 -57,-0.2 -0.960 22.7 179.1-123.4 138.4 -1.3 -29.3 6.2 64 262 A T E -b 6 0A 0 -59,-2.1 -57,-3.0 -2,-0.4 2,-0.9 -0.995 23.3-139.5-130.0 141.6 -0.9 -25.6 6.3 65 263 A V E -b 7 0A 4 -2,-0.4 2,-1.5 41,-0.3 -57,-0.1 -0.821 15.6-172.9-102.7 99.6 0.6 -23.9 9.3 66 264 A A + 0 0 5 -59,-1.6 2,-0.5 -2,-0.9 -56,-0.4 -0.498 39.0 126.2 -92.3 65.5 -1.3 -20.7 10.1 67 265 A V - 0 0 29 -2,-1.5 6,-0.1 1,-0.1 -2,-0.1 -0.993 47.5-157.1-123.0 123.1 1.0 -19.3 12.8 68 266 A G + 0 0 32 -2,-0.5 2,-0.1 4,-0.1 -1,-0.1 0.901 69.9 93.3 -67.4 -41.7 2.3 -15.8 12.3 69 267 A N S > S- 0 0 89 1,-0.2 4,-2.5 2,-0.1 5,-0.2 -0.355 71.0-148.1 -56.7 120.8 5.3 -16.2 14.5 70 268 A N H > S+ 0 0 12 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.865 91.6 49.9 -67.7 -38.8 8.1 -17.2 12.1 71 269 A R H > S+ 0 0 132 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.939 114.5 44.1 -64.6 -47.3 10.1 -19.4 14.5 72 270 A I H > S+ 0 0 72 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.911 112.0 52.8 -64.9 -40.3 7.0 -21.4 15.6 73 271 A R H X S+ 0 0 3 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.924 110.0 50.2 -59.6 -41.1 5.8 -21.7 12.0 74 272 A R H X S+ 0 0 59 -4,-2.2 4,-2.6 -5,-0.2 5,-0.2 0.940 110.4 49.1 -60.3 -48.3 9.2 -23.0 11.1 75 273 A Q H X S+ 0 0 114 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.933 116.2 40.8 -60.1 -48.6 9.1 -25.6 13.9 76 274 A I H X S+ 0 0 36 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.894 115.2 50.9 -68.2 -41.0 5.7 -26.9 13.1 77 275 A T H X S+ 0 0 3 -4,-2.6 4,-2.7 -5,-0.3 5,-0.2 0.930 110.3 49.0 -63.6 -44.4 6.2 -26.9 9.3 78 276 A E H X S+ 0 0 95 -4,-2.6 4,-2.0 -5,-0.2 -1,-0.2 0.856 111.8 50.2 -65.1 -33.9 9.5 -28.8 9.6 79 277 A N H X S+ 0 0 56 -4,-1.6 4,-1.5 -5,-0.2 -2,-0.2 0.914 111.0 48.2 -69.2 -43.9 7.8 -31.3 11.8 80 278 A A H <>S+ 0 0 0 -4,-2.6 5,-2.2 2,-0.2 3,-0.3 0.921 112.1 49.2 -60.5 -43.9 4.9 -31.8 9.4 81 279 A A H ><5S+ 0 0 39 -4,-2.7 3,-1.5 1,-0.2 -1,-0.2 0.908 109.5 52.6 -62.8 -41.1 7.3 -32.2 6.5 82 280 A A H 3<5S+ 0 0 85 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.767 105.1 55.0 -65.8 -28.9 9.3 -34.8 8.5 83 281 A L T 3<5S- 0 0 67 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.367 122.8-106.6 -86.3 2.8 6.1 -36.7 9.1 84 282 A G T < 5 + 0 0 53 -3,-1.5 2,-0.2 1,-0.3 -3,-0.2 0.603 66.6 150.5 87.8 13.8 5.4 -36.9 5.4 85 283 A F < - 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