==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELL ADHESION/BLOOD CLOTTING 23-DEC-10 3AT0 . COMPND 2 MOLECULE: CLUMPING FACTOR B; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR V.K.GANESH . 329 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14590.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 217 66.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 126 38.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 32 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 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 RESIDUES PER ALPHA HELIX . 3 1 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 PARALLEL BRIDGES PER LADDER . 2 5 2 1 1 5 2 1 2 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 1 0 0 0 2 0 0 1 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 1 212 A G 0 0 83 0, 0.0 2,-0.3 0, 0.0 43,-0.2 0.000 360.0 360.0 360.0 174.8 -41.8 -7.5 -13.6 2 213 A T - 0 0 87 39,-0.1 43,-1.9 2,-0.0 2,-0.6 -0.804 360.0-104.7-117.5 152.2 -42.8 -5.6 -16.7 3 214 A N B +a 45 0A 71 -2,-0.3 3,-0.3 41,-0.2 43,-0.2 -0.620 35.3 179.8 -72.2 118.3 -42.1 -2.0 -17.8 4 215 A V > + 0 0 1 41,-3.3 3,-1.8 -2,-0.6 42,-0.2 -0.130 37.5 125.2-118.0 38.4 -45.3 -0.1 -17.3 5 216 A N G > S+ 0 0 19 1,-0.3 3,-1.7 40,-0.2 -1,-0.2 0.848 73.5 63.3 -57.6 -34.8 -44.4 3.4 -18.5 6 217 A D G 3 S+ 0 0 131 1,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.508 106.3 44.7 -71.7 -3.0 -47.4 3.1 -20.9 7 218 A K G < S+ 0 0 70 -3,-1.8 30,-2.0 31,-0.1 31,-0.7 0.102 100.8 78.4-122.0 16.0 -49.6 2.9 -17.8 8 219 A V E < -B 36 0A 4 -3,-1.7 2,-0.5 28,-0.2 28,-0.2 -0.996 56.6-169.8-129.1 131.6 -48.1 5.7 -15.7 9 220 A T E -B 35 0A 59 26,-2.5 26,-2.4 -2,-0.4 2,-0.3 -0.978 7.4-154.7-124.8 125.7 -48.8 9.4 -16.3 10 221 A A E +B 34 0A 3 -2,-0.5 2,-0.3 125,-0.4 24,-0.3 -0.707 18.2 178.0 -95.4 145.9 -46.9 12.1 -14.6 11 222 A S E +B 33 0A 50 22,-2.3 22,-2.3 -2,-0.3 -2,-0.0 -0.869 50.2 30.2-146.2-178.4 -48.4 15.6 -14.1 12 223 A N E S- 0 0 94 -2,-0.3 2,-0.2 20,-0.2 -1,-0.1 0.801 72.6-170.4 12.3 66.4 -47.6 19.0 -12.6 13 224 A F E - 0 0 34 19,-0.1 2,-0.4 -3,-0.1 19,-0.2 -0.430 4.1-172.1 -67.9 133.6 -44.0 18.7 -13.2 14 225 A K E -B 31 0A 131 17,-2.5 17,-2.0 -2,-0.2 2,-0.5 -0.993 22.0-158.9-134.8 135.0 -41.8 21.4 -11.5 15 226 A L E -B 30 0A 25 -2,-0.4 15,-0.2 15,-0.2 3,-0.1 -0.946 16.9-149.5 -98.4 127.1 -38.1 22.4 -11.7 16 227 A E S S+ 0 0 110 13,-2.2 2,-0.3 -2,-0.5 -1,-0.1 0.922 76.7 3.2 -59.4 -42.0 -37.2 24.3 -8.6 17 228 A K - 0 0 78 12,-0.3 -1,-0.2 -3,-0.1 12,-0.2 -0.995 50.8-168.7-152.9 136.6 -34.5 26.5 -10.3 18 229 A T S S+ 0 0 68 -2,-0.3 127,-2.6 1,-0.2 2,-0.4 0.403 75.4 53.0-117.8 2.2 -33.2 26.8 -13.8 19 230 A T E +j 145 0B 68 125,-0.2 2,-0.3 8,-0.1 127,-0.2 -0.994 67.6 133.5-136.0 130.3 -30.1 28.9 -13.4 20 231 A F E -j 146 0B 16 125,-2.1 127,-1.9 -2,-0.4 5,-0.1 -0.986 51.4-110.2-168.4 170.7 -27.3 28.1 -11.0 21 232 A D > > - 0 0 37 -2,-0.3 5,-2.5 125,-0.2 3,-2.4 -0.879 18.0-170.6-115.7 94.5 -23.5 27.7 -10.3 22 233 A P T > 5S+ 0 0 2 0, 0.0 3,-0.8 0, 0.0 304,-0.2 0.689 87.4 65.1 -60.9 -16.6 -22.5 24.0 -9.8 23 234 A N T 3 5S+ 0 0 0 1,-0.2 301,-3.1 124,-0.2 125,-0.1 0.508 105.0 44.2 -83.2 -3.0 -19.0 25.3 -8.7 24 235 A Q B < 5S-l 324 0C 89 -3,-2.4 -1,-0.2 299,-0.2 301,-0.2 -0.237 133.8 -86.4-125.8 39.0 -20.7 27.0 -5.6 25 236 A S T < 5S+ 0 0 41 299,-2.6 300,-0.1 -3,-0.8 -2,-0.1 0.676 72.1 167.4 64.2 20.9 -22.9 24.0 -4.8 26 237 A G < + 0 0 14 -5,-2.5 92,-0.3 298,-0.3 2,-0.3 -0.366 7.4 145.3 -60.5 137.5 -25.7 25.1 -7.2 27 238 A N - 0 0 27 -8,-0.1 90,-0.2 90,-0.1 2,-0.2 -0.958 28.4-147.0-158.9 179.9 -28.3 22.4 -7.8 28 239 A T E - C 0 116A 0 88,-2.9 88,-2.3 -2,-0.3 2,-0.3 -0.651 8.8-128.8-139.9-168.5 -32.0 22.0 -8.4 29 240 A F E - C 0 115A 80 86,-0.3 -13,-2.2 -2,-0.2 2,-0.4 -0.987 5.6-149.0-145.8 149.1 -35.0 19.6 -7.8 30 241 A M E -BC 15 114A 0 84,-2.7 84,-3.4 -2,-0.3 2,-0.3 -0.976 18.1-175.2-117.8 142.6 -37.7 18.1 -9.9 31 242 A A E +BC 14 113A 35 -17,-2.0 -17,-2.5 -2,-0.4 2,-0.3 -0.978 8.4 160.0-133.5 147.7 -41.1 17.3 -8.5 32 243 A A E - C 0 112A 3 80,-2.5 80,-2.6 -2,-0.3 2,-0.3 -0.978 31.7-134.2-163.1 150.3 -44.1 15.5 -9.9 33 244 A N E -BC 11 111A 64 -22,-2.3 -22,-2.3 -2,-0.3 2,-0.3 -0.674 28.4-170.2 -88.5 159.2 -47.3 13.8 -9.2 34 245 A F E -BC 10 110A 2 76,-2.1 76,-2.4 -2,-0.3 2,-0.4 -0.991 10.0-160.8-148.5 153.2 -48.1 10.6 -11.0 35 246 A T E -BC 9 109A 42 -26,-2.4 -26,-2.5 -2,-0.3 2,-0.7 -0.989 19.9-130.5-133.2 142.4 -51.1 8.3 -11.4 36 247 A V E -BC 8 108A 8 72,-2.6 72,-0.6 -2,-0.4 71,-0.3 -0.834 17.8-166.8 -92.5 115.1 -51.3 4.7 -12.5 37 248 A T + 0 0 90 -30,-2.0 2,-0.3 -2,-0.7 -29,-0.1 0.539 65.3 26.6 -86.0 -6.2 -53.9 4.5 -15.2 38 249 A D S S- 0 0 45 -31,-0.7 2,-0.2 70,-0.1 70,-0.1 -0.940 98.3 -68.7-147.2 171.1 -54.3 0.7 -15.2 39 250 A K + 0 0 96 -2,-0.3 2,-0.3 68,-0.0 67,-0.1 -0.426 54.0 178.9 -62.6 125.4 -53.8 -2.5 -13.1 40 251 A V - 0 0 17 62,-0.3 2,-0.3 -2,-0.2 3,-0.0 -0.879 17.7-131.3-124.6 162.2 -50.1 -3.0 -12.4 41 252 A K > - 0 0 49 -2,-0.3 3,-2.3 -39,-0.1 57,-0.2 -0.770 33.6 -84.5-113.8 155.5 -48.5 -5.8 -10.3 42 253 A S T 3 S+ 0 0 46 -2,-0.3 57,-0.2 1,-0.3 58,-0.1 -0.349 118.4 31.1 -49.0 127.2 -45.9 -5.8 -7.6 43 254 A G T 3 S+ 0 0 25 55,-2.5 -1,-0.3 1,-0.5 56,-0.1 0.202 89.5 121.3 100.9 -17.5 -42.5 -5.7 -9.3 44 255 A D < - 0 0 16 -3,-2.3 54,-2.6 -43,-0.2 -1,-0.5 -0.409 45.7-165.9 -69.8 159.2 -43.7 -3.8 -12.3 45 256 A Y E -aD 3 97A 73 -43,-1.9 -41,-3.3 52,-0.2 2,-0.3 -0.975 24.3-156.0-150.3 155.2 -41.8 -0.5 -12.9 46 257 A F E - D 0 96A 0 50,-1.7 50,-2.8 -2,-0.3 2,-0.3 -0.894 22.2-144.5-126.8 164.5 -41.7 2.8 -14.6 47 258 A T E - D 0 95A 21 -2,-0.3 89,-2.7 48,-0.2 2,-0.4 -0.818 12.0-149.6-127.9 164.2 -38.6 5.0 -15.3 48 259 A A E -ED 135 94A 0 46,-1.8 46,-3.0 -2,-0.3 2,-0.6 -0.995 19.1-157.9-130.3 129.5 -37.4 8.6 -15.5 49 260 A K E -ED 134 93A 89 85,-3.0 85,-2.3 -2,-0.4 44,-0.2 -0.927 6.1-146.1-118.2 118.8 -34.6 9.3 -17.9 50 261 A L - 0 0 1 42,-2.6 83,-0.1 -2,-0.6 2,-0.1 -0.467 17.6-122.2 -81.2 148.5 -32.3 12.4 -17.6 51 262 A P > - 0 0 26 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 -0.311 37.2 -87.0 -80.8 174.0 -30.9 14.3 -20.5 52 263 A D T 3 S+ 0 0 112 1,-0.3 70,-0.3 -2,-0.1 71,-0.2 0.831 122.9 57.2 -44.8 -44.9 -27.2 15.0 -21.3 53 264 A S T 3 S+ 0 0 2 77,-0.5 66,-1.0 69,-0.1 2,-0.3 0.536 103.7 58.7 -76.8 -8.9 -27.1 18.2 -19.2 54 265 A L E < -R 118 0D 0 -3,-1.9 2,-0.3 64,-0.2 64,-0.2 -0.860 51.5-173.2-123.0 158.6 -28.2 16.5 -15.9 55 266 A T E -R 117 0D 17 62,-2.0 62,-2.3 -2,-0.3 34,-0.1 -0.950 23.5-141.3-137.7 155.4 -27.2 13.8 -13.4 56 267 A G S S+ 0 0 1 -2,-0.3 274,-0.2 60,-0.2 62,-0.1 0.547 99.7 43.9 -91.5 -7.8 -29.1 12.5 -10.4 57 268 A N S > S- 0 0 19 1,-0.2 271,-1.9 270,-0.1 3,-1.5 0.672 76.3-178.5-110.9 -25.0 -26.0 12.1 -8.2 58 269 A G B 3 S-S 327 0E 14 269,-0.3 269,-0.3 1,-0.2 -1,-0.2 -0.376 73.5 -7.1 61.5-131.0 -23.9 15.3 -8.8 59 270 A D T 3 S+ 0 0 5 267,-2.0 111,-1.5 110,-0.1 2,-0.5 0.171 110.7 100.4 -88.4 15.7 -20.7 15.2 -6.9 60 271 A V B < -t 170 0F 13 -3,-1.5 2,-0.4 109,-0.2 111,-0.2 -0.929 66.5-146.6-102.0 127.2 -21.5 12.0 -5.0 61 272 A D + 0 0 20 109,-1.9 112,-0.4 -2,-0.5 111,-0.3 -0.808 23.1 177.9-102.6 129.6 -19.7 9.1 -6.6 62 273 A Y > > + 0 0 3 -2,-0.4 3,-3.0 1,-0.1 5,-1.9 0.271 48.1 113.9-113.9 11.3 -21.3 5.7 -6.7 63 274 A S T 3 5S+ 0 0 54 1,-0.3 3,-0.4 4,-0.2 -1,-0.1 0.781 79.7 52.6 -54.9 -25.0 -18.7 3.8 -8.6 64 275 A N T 3 5S+ 0 0 52 1,-0.2 -1,-0.3 -3,-0.2 112,-0.1 0.278 103.0 60.5 -93.6 8.9 -18.0 1.7 -5.5 65 276 A S T X 5S- 0 0 32 -3,-3.0 3,-1.8 0, 0.0 -1,-0.2 -0.339 132.4 -81.9-125.0 51.1 -21.7 0.8 -5.1 66 277 A N T 3 5S- 0 0 151 -3,-0.4 -3,-0.2 1,-0.3 -2,-0.1 0.697 76.0 -77.1 57.3 18.0 -22.1 -1.0 -8.4 67 278 A N T 3 - 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