==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELL ADHESION 18-JAN-11 3QDH . COMPND 2 MOLECULE: FIMBRIAL STRUCTURAL SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: ACTINOMYCES NAESLUNDII; . AUTHOR B.DEVARAJAN,V.KRISHNAN,S.V.L.NARAYANA . 271 3 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13768.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 161 59.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 92 33.9 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 24 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 3.0 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+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 1 0 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 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 PARALLEL BRIDGES PER LADDER . 4 3 0 1 1 2 2 2 1 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 0 1 3 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 1 202 A I 0 0 110 0, 0.0 2,-0.3 0, 0.0 28,-0.1 0.000 360.0 360.0 360.0 128.6 29.7 22.7 -6.0 2 203 A S - 0 0 59 26,-0.3 26,-0.4 144,-0.1 2,-0.4 -0.947 360.0-144.6-141.9 158.5 27.0 22.0 -3.4 3 204 A V - 0 0 6 144,-0.3 146,-0.5 -2,-0.3 2,-0.4 -0.990 11.1-160.6-127.0 136.0 26.7 21.0 0.3 4 205 A E E -A 26 0A 73 22,-3.3 22,-2.6 -2,-0.4 2,-0.4 -0.937 5.9-166.5-118.1 139.8 24.0 18.8 1.8 5 206 A K E +A 25 0A 9 -2,-0.4 20,-0.2 20,-0.2 2,-0.2 -0.970 12.3 162.6-127.9 141.4 23.1 18.7 5.5 6 207 A S - 0 0 42 18,-2.5 2,-0.3 -2,-0.4 145,-0.1 -0.657 29.2-118.9-132.6-169.4 21.0 16.2 7.5 7 208 A I - 0 0 4 -2,-0.2 16,-0.2 16,-0.2 2,-0.2 -0.991 23.6-118.9-139.5 133.8 20.4 15.2 11.1 8 209 A Q - 0 0 51 14,-3.0 14,-0.2 -2,-0.3 5,-0.1 -0.483 49.1 -86.4 -63.6 136.3 21.0 11.9 12.9 9 210 A E > - 0 0 51 -2,-0.2 3,-1.3 1,-0.2 4,-0.4 -0.256 38.9-138.6 -35.6 114.4 17.9 10.2 14.4 10 211 A Q G >> S+ 0 0 2 1,-0.3 4,-2.0 215,-0.2 3,-1.9 0.808 97.6 70.9 -58.6 -30.9 17.8 11.8 17.8 11 212 A K G 34 S+ 0 0 99 214,-0.3 -1,-0.3 1,-0.3 4,-0.2 0.872 91.9 58.4 -48.3 -43.4 16.9 8.5 19.4 12 213 A L G <4 S+ 0 0 105 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.658 116.7 33.1 -64.5 -17.3 20.5 7.3 18.7 13 214 A N T <4 S- 0 0 36 -3,-1.9 7,-0.6 -4,-0.4 -2,-0.2 0.561 123.4 -85.9-117.3 -15.0 21.9 10.2 20.7 14 215 A G < - 0 0 23 -4,-2.0 5,-0.1 5,-0.1 -2,-0.1 0.075 18.7-119.7 113.3 137.8 19.2 10.6 23.5 15 216 A Y S S+ 0 0 15 -4,-0.2 200,-2.4 199,-0.1 2,-0.2 0.629 83.6 79.8 -79.6 -18.2 15.9 12.5 23.8 16 217 A G B > S-D 214 0B 0 178,-0.3 3,-1.5 198,-0.2 198,-0.2 -0.543 90.4 -84.6-100.2 159.4 16.9 14.7 26.8 17 218 A V T 3 S+ 0 0 0 196,-2.0 179,-3.0 1,-0.2 180,-0.4 -0.259 113.9 44.3 -50.7 138.2 18.9 17.9 27.4 18 219 A G T 3 S+ 0 0 23 90,-2.1 -1,-0.2 1,-0.5 2,-0.2 0.314 89.4 117.1 96.7 -7.2 22.6 17.1 27.7 19 220 A S < - 0 0 16 -3,-1.5 89,-3.0 89,-0.1 -1,-0.5 -0.518 69.0-108.3 -82.1 158.4 22.5 14.8 24.7 20 221 A L E - B 0 107A 59 -7,-0.6 2,-0.5 87,-0.2 87,-0.2 -0.600 17.1-148.4 -79.8 146.2 24.4 15.4 21.4 21 222 A I E - B 0 106A 0 85,-2.3 85,-1.4 -2,-0.2 2,-0.5 -0.990 19.3-157.2-105.8 130.7 22.7 16.5 18.2 22 223 A K E - B 0 105A 39 -2,-0.5 -14,-3.0 -14,-0.2 83,-0.2 -0.944 7.4-165.0-113.7 128.3 24.7 15.1 15.3 23 224 A F E - B 0 104A 0 81,-3.6 81,-2.5 -2,-0.5 2,-0.3 -0.911 10.9-148.0-116.8 103.8 24.5 16.6 11.8 24 225 A P E - B 0 103A 47 0, 0.0 -18,-2.5 0, 0.0 2,-0.4 -0.535 21.1-172.5 -65.6 127.8 25.9 14.7 8.8 25 226 A V E +AB 5 102A 0 77,-2.8 77,-2.0 -2,-0.3 2,-0.3 -0.989 6.6 173.7-126.1 133.4 27.3 17.1 6.3 26 227 A S E -AB 4 101A 23 -22,-2.6 -22,-3.3 -2,-0.4 2,-0.4 -0.998 18.4-170.4-145.0 150.5 28.5 16.2 2.8 27 228 A S E - B 0 100A 0 73,-2.5 73,-2.8 -2,-0.3 2,-0.4 -0.994 28.2-125.0-137.3 128.9 29.7 17.7 -0.5 28 229 A T E - B 0 99A 56 -26,-0.4 -26,-0.3 -2,-0.4 71,-0.2 -0.609 33.1-118.8 -74.4 125.7 30.2 15.7 -3.7 29 230 A A - 0 0 1 69,-2.8 68,-3.1 -2,-0.4 69,-0.1 -0.469 30.0-123.4 -67.0 129.1 33.8 16.2 -5.0 30 231 A P - 0 0 32 0, 0.0 2,-0.8 0, 0.0 68,-0.2 -0.190 21.5-106.7 -65.9 164.1 33.9 17.9 -8.4 31 232 A T - 0 0 115 65,-0.2 2,-0.3 66,-0.1 62,-0.1 -0.864 42.5-158.5 -92.0 109.5 35.6 16.4 -11.4 32 233 A L - 0 0 33 -2,-0.8 5,-0.0 61,-0.3 -3,-0.0 -0.670 19.6-107.6 -92.2 145.9 38.8 18.5 -11.9 33 234 A D > - 0 0 118 -2,-0.3 3,-2.2 1,-0.1 -1,-0.1 -0.321 42.2-100.5 -56.3 153.1 40.8 18.9 -15.1 34 235 A A T 3 S+ 0 0 87 1,-0.3 -1,-0.1 94,-0.0 -2,-0.1 0.834 123.5 39.4 -44.2 -43.4 44.2 17.0 -15.0 35 236 A K T 3 S+ 0 0 75 2,-0.0 94,-2.5 97,-0.0 2,-0.5 0.071 93.2 101.4-104.4 22.8 46.1 20.3 -14.2 36 237 A S E < -H 128 0C 16 -3,-2.2 2,-0.3 92,-0.2 92,-0.2 -0.932 50.9-177.6-106.8 129.5 43.5 21.8 -11.8 37 238 A F E -H 127 0C 29 90,-2.5 90,-2.2 -2,-0.5 2,-0.3 -0.928 29.2-105.2-128.2 150.4 44.4 21.5 -8.1 38 239 A Y E -H 126 0C 10 -2,-0.3 88,-0.3 88,-0.2 3,-0.1 -0.566 16.4-169.8 -68.3 131.0 42.8 22.4 -4.8 39 240 A K E S- 0 0 52 86,-2.6 97,-2.9 1,-0.4 2,-0.3 0.761 80.1 -25.0 -80.2 -35.2 44.3 25.4 -3.0 40 241 A Y E -H 125 0C 29 85,-1.2 85,-1.6 95,-0.2 -1,-0.4 -0.970 52.7-157.4-167.2 165.2 42.1 24.3 -0.1 41 242 A F E +H 124 0C 1 43,-0.3 43,-2.3 -2,-0.3 2,-0.4 -0.853 22.9 168.9-154.9 115.8 39.0 22.4 0.8 42 243 A Q E -HI 123 83C 9 81,-2.2 81,-3.1 -2,-0.3 2,-0.5 -0.994 28.3-147.8-136.6 134.5 37.1 23.0 4.1 43 244 A L E -HI 122 82C 0 39,-2.3 39,-2.4 -2,-0.4 2,-0.4 -0.893 29.1-171.4 -95.4 130.4 33.8 22.0 5.6 44 245 A R E +HI 121 81C 29 77,-2.5 77,-2.9 -2,-0.5 2,-0.3 -0.949 14.3 172.1-129.3 143.8 32.6 24.8 7.9 45 246 A D E - I 0 80C 1 35,-2.1 35,-3.3 -2,-0.4 2,-0.8 -0.902 19.3-158.4-155.3 117.1 29.7 24.9 10.4 46 247 A T E - I 0 79C 84 73,-0.4 73,-0.4 -2,-0.3 33,-0.3 -0.891 30.9-143.3 -94.3 111.6 28.8 27.6 12.9 47 248 A L - 0 0 2 31,-2.6 71,-0.1 -2,-0.8 7,-0.1 -0.456 22.1 -90.6 -82.4 148.9 26.6 25.8 15.4 48 249 A D > - 0 0 30 69,-0.4 3,-2.8 -2,-0.1 -1,-0.1 -0.260 37.1-115.7 -51.4 137.3 23.6 27.2 17.2 49 250 A D T 3 S+ 0 0 116 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.640 111.9 68.4 -53.9 -22.4 24.4 28.9 20.5 50 251 A R T 3 S+ 0 0 15 61,-0.1 59,-2.4 59,-0.1 2,-0.5 0.598 88.6 80.5 -74.0 -11.4 22.2 26.3 22.4 51 252 A L E < -C 108 0A 1 -3,-2.8 3,-0.3 57,-0.2 2,-0.2 -0.850 66.6-168.6-100.8 129.8 24.9 23.7 21.4 52 253 A T E +C 107 0A 61 55,-2.2 55,-2.9 -2,-0.5 3,-0.1 -0.733 61.0 26.6-117.3 165.5 28.0 23.5 23.5 53 254 A A E S- 0 0 81 -2,-0.2 -1,-0.2 53,-0.2 25,-0.1 0.891 84.4-166.2 51.2 45.8 31.4 21.8 23.2 54 255 A V E + 0 0 7 -3,-0.3 2,-0.2 23,-0.2 52,-0.2 -0.324 22.8 134.1 -71.6 142.8 30.9 21.9 19.4 55 256 A T E -C 105 0A 50 50,-2.0 50,-2.5 -3,-0.1 2,-0.3 -0.870 44.9-107.0-163.0-173.0 33.2 19.8 17.2 56 257 A A E +C 104 0A 7 -2,-0.2 2,-0.2 48,-0.2 48,-0.2 -0.994 29.5 174.2-136.8 143.5 33.2 17.4 14.2 57 258 A T E +C 103 0A 47 46,-2.5 46,-3.0 -2,-0.3 -2,-0.0 -0.796 53.9 44.7-133.0 177.8 33.7 13.6 14.0 58 259 A E E - 0 0 119 -2,-0.2 2,-0.2 44,-0.2 -1,-0.1 0.861 65.3-171.2 53.3 44.5 33.6 10.8 11.4 59 260 A V E + 0 0 13 43,-0.1 2,-0.3 -3,-0.1 43,-0.2 -0.516 17.1 175.1 -67.3 131.2 35.5 12.7 8.7 60 261 A S E -C 101 0A 48 41,-2.6 41,-2.5 -2,-0.2 2,-0.4 -0.979 40.1-156.2-144.5 150.8 35.2 10.6 5.5 61 262 A L E > -C 100 0A 2 3,-0.4 3,-2.0 -2,-0.3 39,-0.2 -0.974 44.6-113.6-124.2 115.7 35.9 10.4 1.8 62 263 A E T 3 S+ 0 0 98 37,-2.9 3,-0.1 -2,-0.4 36,-0.0 -0.185 98.0 13.5 -54.6 128.9 33.5 7.9 0.2 63 264 A G T 3 S+ 0 0 81 1,-0.3 2,-0.3 35,-0.1 -1,-0.3 0.455 117.8 82.7 87.9 3.8 35.2 4.8 -1.1 64 265 A T S < S- 0 0 55 -3,-2.0 2,-0.6 31,-0.0 -3,-0.4 -0.889 71.8-133.4-134.5 154.4 38.4 5.6 0.8 65 266 A T - 0 0 130 -2,-0.3 2,-0.1 -3,-0.1 -5,-0.1 -0.974 29.9-150.3-111.3 113.4 39.8 5.1 4.3 66 267 A L - 0 0 30 -2,-0.6 22,-0.0 -7,-0.2 -7,-0.0 -0.361 5.1-134.5 -72.8 157.8 41.4 8.4 5.4 67 268 A D > - 0 0 45 -2,-0.1 3,-2.2 1,-0.0 4,-0.2 -0.774 30.5-102.9-108.1 162.4 44.4 8.6 7.8 68 269 A P G > S+ 0 0 112 0, 0.0 3,-0.5 0, 0.0 -2,-0.0 0.664 119.0 59.7 -61.2 -18.2 44.5 11.0 10.8 69 270 A T G 3 S+ 0 0 84 1,-0.2 19,-0.3 3,-0.0 18,-0.3 0.299 83.0 84.7 -91.7 9.1 46.9 13.3 8.9 70 271 A D G < S+ 0 0 0 -3,-2.2 15,-2.1 17,-0.1 2,-0.3 0.637 102.0 2.7 -82.8 -15.8 44.4 13.9 6.0 71 272 A Y E < -J 84 0C 58 -3,-0.5 2,-0.4 13,-0.3 13,-0.2 -0.969 61.4-131.0-160.2 167.1 42.6 16.7 7.8 72 273 A K E -J 83 0C 155 11,-2.2 11,-2.7 -2,-0.3 2,-0.4 -0.999 13.7-153.4-131.0 130.5 42.4 18.9 10.9 73 274 A V E +J 82 0C 50 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.884 24.4 169.2-100.4 131.7 39.3 19.5 13.0 74 275 A D E -J 81 0C 78 7,-2.2 7,-2.6 -2,-0.4 2,-0.4 -0.980 24.4-149.7-140.9 149.4 39.2 22.8 14.9 75 276 A T E +J 80 0C 52 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.995 11.7 178.8-120.8 126.9 36.7 24.9 16.9 76 277 A K E > S-J 79 0C 147 3,-2.7 3,-2.2 -2,-0.4 2,-0.3 -0.957 71.3 -49.4-120.9 109.2 36.9 28.7 17.1 77 278 A G T 3 S- 0 0 67 -2,-0.5 -23,-0.2 1,-0.3 -31,-0.0 -0.517 123.1 -23.5 64.9-122.4 33.9 30.0 19.2 78 279 A Q T 3 S+ 0 0 49 -2,-0.3 -31,-2.6 -3,-0.1 2,-0.6 0.457 118.2 102.9 -94.1 -1.9 30.8 28.2 17.7 79 280 A T E < -IJ 46 76C 40 -3,-2.2 -3,-2.7 -33,-0.3 2,-0.4 -0.728 52.0-168.1 -94.9 115.6 32.5 27.7 14.3 80 281 A V E -IJ 45 75C 0 -35,-3.3 -35,-2.1 -2,-0.6 2,-0.4 -0.831 5.6-169.2 -99.0 136.7 33.8 24.2 13.6 81 282 A T E -IJ 44 74C 22 -7,-2.6 -7,-2.2 -2,-0.4 2,-0.5 -0.977 18.6-163.4-127.3 142.7 36.1 23.5 10.6 82 283 A V E -IJ 43 73C 0 -39,-2.4 -39,-2.3 -2,-0.4 2,-0.5 -0.975 22.6-173.9-119.1 108.2 37.3 20.3 8.9 83 284 A T E -IJ 42 72C 35 -11,-2.7 -11,-2.2 -2,-0.5 2,-0.2 -0.924 17.9-134.4-115.7 121.3 40.3 21.5 6.8 84 285 A F E - J 0 71C 8 -43,-2.3 -43,-0.3 -2,-0.5 -13,-0.3 -0.538 18.3-137.0 -80.0 140.0 41.9 19.0 4.5 85 286 A T > - 0 0 35 -15,-2.1 4,-2.7 -2,-0.2 5,-0.2 -0.235 37.5 -85.9 -84.8 179.3 45.7 18.8 4.5 86 287 A A H > S+ 0 0 59 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.912 132.1 46.9 -52.6 -46.4 48.0 18.6 1.4 87 288 A E H > S+ 0 0 98 -18,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.885 112.2 51.2 -60.9 -43.7 47.6 14.7 1.4 88 289 A G H > S+ 0 0 0 -19,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.880 107.1 52.5 -61.9 -40.2 43.9 15.0 1.9 89 290 A L H X S+ 0 0 10 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.875 107.0 52.6 -67.3 -36.2 43.5 17.5 -1.0 90 291 A K H X S+ 0 0 157 -4,-1.8 4,-1.7 -5,-0.2 -1,-0.2 0.907 109.4 50.4 -63.1 -43.1 45.4 15.0 -3.3 91 292 A R H < S+ 0 0 81 -4,-1.9 4,-0.3 2,-0.2 -2,-0.2 0.912 109.4 50.1 -57.8 -45.9 42.9 12.3 -2.2 92 293 A I H >< S+ 0 0 1 -4,-2.2 3,-1.4 1,-0.2 6,-0.2 0.922 109.3 50.9 -64.6 -42.9 39.9 14.5 -3.0 93 294 A K H 3< S+ 0 0 48 -4,-2.2 -61,-0.3 1,-0.2 -1,-0.2 0.878 110.1 50.8 -57.6 -38.2 41.2 15.4 -6.4 94 295 A A T 3< S+ 0 0 80 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.469 105.4 61.5 -79.4 -1.2 41.7 11.6 -7.1 95 296 A A S X S+ 0 0 12 -3,-1.4 3,-1.9 -4,-0.3 -66,-0.3 -0.367 70.4 178.0-122.9 52.3 38.1 10.9 -6.0 96 297 A P T 3 S+ 0 0 58 0, 0.0 -65,-0.2 0, 0.0 3,-0.1 -0.282 72.0 16.9 -61.3 140.9 35.8 12.8 -8.4 97 298 A G T 3 S+ 0 0 45 -68,-3.1 2,-0.3 1,-0.3 -66,-0.1 0.402 98.5 122.6 79.4 -1.9 32.1 12.3 -7.8 98 299 A K < - 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