==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELL ADHESION/BLOOD CLOTTING 07-MAY-12 4F27 . COMPND 2 MOLECULE: CLUMPING FACTOR B; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR M.J.YANG,H.XIANG,J.W.WANG,B.LIU,Y.G.CHEN,L.LIU,X.M.DENG,Y.FE . 344 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15252.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 222 64.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 128 37.2 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 . 1 0.3 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 . 32 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 5 1.5 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 . 4 1 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 0 0 PARALLEL BRIDGES PER LADDER . 2 4 2 1 1 6 2 3 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 1 0 0 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 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 1 209 A D 0 0 104 0, 0.0 45,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -39.6 -46.6 25.4 -30.6 2 210 A A - 0 0 85 1,-0.2 0, 0.0 43,-0.1 0, 0.0 -0.247 360.0 -76.0 -65.3 152.4 -45.3 22.1 -32.1 3 211 A K S S+ 0 0 127 1,-0.1 44,-0.2 97,-0.1 -1,-0.2 -0.240 72.5 153.0 -50.3 122.8 -41.7 21.1 -31.8 4 212 A G + 0 0 45 42,-3.0 2,-0.3 1,-0.3 43,-0.2 0.450 38.5 15.9-123.9-108.2 -39.8 23.3 -34.2 5 213 A T - 0 0 80 1,-0.0 43,-2.6 2,-0.0 2,-0.6 -0.606 63.1-125.2 -89.0 137.0 -36.3 24.7 -34.4 6 214 A N B -a 48 0A 66 -2,-0.3 3,-0.3 41,-0.2 43,-0.2 -0.722 27.3-179.6 -74.8 118.5 -33.4 23.4 -32.3 7 215 A V > + 0 0 2 41,-3.5 3,-2.5 -2,-0.6 4,-0.5 0.003 38.7 125.5-115.8 30.3 -32.0 26.4 -30.5 8 216 A N G > S+ 0 0 3 1,-0.3 3,-1.3 40,-0.3 -1,-0.2 0.849 71.5 65.0 -49.2 -34.7 -29.1 24.7 -28.7 9 217 A D G 3 S+ 0 0 132 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.616 104.9 43.9 -68.3 -10.3 -26.9 27.3 -30.3 10 218 A K G < S+ 0 0 81 -3,-2.5 30,-3.3 1,-0.0 2,-0.5 0.405 102.4 79.0-109.1 -3.4 -28.8 30.0 -28.3 11 219 A V E < -B 39 0A 5 -3,-1.3 2,-0.5 -4,-0.5 28,-0.2 -0.930 55.0-171.0-118.3 124.5 -28.8 28.2 -24.9 12 220 A T E -B 38 0A 57 26,-2.6 26,-1.5 -2,-0.5 2,-0.2 -0.964 8.2-156.9-116.4 125.8 -25.9 28.0 -22.5 13 221 A A E +B 37 0A 2 -2,-0.5 2,-0.3 125,-0.4 24,-0.3 -0.610 21.4 170.4 -95.4 153.9 -26.0 25.7 -19.5 14 222 A S E +B 36 0A 45 22,-2.3 22,-2.9 -2,-0.2 -2,-0.0 -0.965 44.8 39.2-160.3 169.1 -23.8 26.4 -16.5 15 223 A D E S- 0 0 121 -2,-0.3 2,-0.2 20,-0.2 -1,-0.1 0.896 71.3-171.6 47.1 49.3 -23.0 25.6 -12.9 16 224 A F E + 0 0 25 19,-0.1 2,-0.3 -3,-0.1 19,-0.2 -0.482 10.0 168.9 -73.0 136.2 -23.6 21.9 -13.6 17 225 A K E -B 34 0A 151 17,-2.4 17,-2.4 -2,-0.2 2,-0.3 -0.996 30.6-141.0-146.7 139.4 -23.6 19.7 -10.4 18 226 A L E -B 33 0A 19 -2,-0.3 15,-0.2 15,-0.2 3,-0.1 -0.813 23.9-130.9 -91.4 148.3 -24.5 16.1 -9.7 19 227 A E S S- 0 0 105 13,-2.2 2,-0.3 -2,-0.3 -1,-0.1 0.930 88.4 -11.9 -67.6 -41.4 -26.2 15.7 -6.3 20 228 A K - 0 0 79 12,-0.2 -1,-0.3 -3,-0.1 12,-0.2 -0.975 54.6-147.2-150.3 157.2 -23.8 12.9 -5.5 21 229 A T S S+ 0 0 81 -2,-0.3 127,-3.1 1,-0.2 2,-0.4 0.362 81.6 50.2-108.6 4.6 -21.3 10.8 -7.5 22 230 A A E +k 148 0B 45 125,-0.2 2,-0.3 8,-0.1 127,-0.2 -0.975 63.3 137.0-144.5 128.2 -21.5 7.5 -5.7 23 231 A F E -k 149 0B 14 125,-2.2 127,-2.4 -2,-0.4 5,-0.1 -0.965 47.9-110.1-159.5 178.6 -24.5 5.4 -4.7 24 232 A D > > - 0 0 34 -2,-0.3 3,-2.1 125,-0.2 5,-2.0 -0.908 16.9-167.8-122.0 98.9 -26.1 2.0 -4.6 25 233 A P T > 5S+ 0 0 1 0, 0.0 3,-0.7 0, 0.0 314,-0.1 0.587 86.6 66.0 -65.4 -11.5 -29.0 1.4 -7.1 26 234 A N T 3 5S+ 0 0 0 1,-0.2 311,-2.1 124,-0.2 125,-0.1 0.414 103.4 44.9 -89.8 -0.3 -29.9 -1.8 -5.2 27 235 A Q B < 5S-m 337 0C 89 -3,-2.1 -1,-0.2 309,-0.2 311,-0.2 -0.208 132.6 -88.1-128.7 41.4 -30.9 0.2 -2.2 28 236 A S T < 5S+ 0 0 10 309,-2.2 2,-0.2 -3,-0.7 310,-0.1 0.701 73.7 163.1 65.2 24.0 -32.8 2.9 -4.1 29 237 A G < + 0 0 13 -5,-2.0 92,-0.3 308,-0.3 2,-0.3 -0.500 3.2 145.2 -76.3 140.5 -29.8 5.0 -4.6 30 238 A N - 0 0 6 -2,-0.2 2,-0.2 90,-0.1 90,-0.2 -0.937 29.5-143.6-156.8 177.4 -29.9 7.7 -7.4 31 239 A T E - C 0 119A 0 88,-2.7 88,-2.3 -2,-0.3 2,-0.3 -0.646 11.2-129.0-133.9-169.3 -28.6 11.2 -8.0 32 240 A F E - C 0 118A 59 86,-0.3 -13,-2.2 -2,-0.2 2,-0.4 -0.988 8.7-138.2-139.6 148.4 -29.8 14.4 -9.7 33 241 A X E -BC 18 117A 0 84,-2.9 84,-2.3 -2,-0.3 2,-0.4 -0.917 23.6-173.6-101.4 138.1 -28.3 16.7 -12.3 34 242 A A E +BC 17 116A 32 -17,-2.4 -17,-2.4 -2,-0.4 2,-0.3 -0.990 12.0 156.5-130.0 139.0 -28.8 20.4 -11.6 35 243 A A E - C 0 115A 3 80,-1.7 80,-2.1 -2,-0.4 2,-0.3 -0.981 34.4-130.2-155.1 152.6 -27.8 23.2 -13.9 36 244 A N E -BC 14 114A 64 -22,-2.9 -22,-2.3 -2,-0.3 2,-0.3 -0.692 27.5-168.9 -91.3 156.9 -28.6 26.7 -14.7 37 245 A F E -BC 13 113A 8 76,-2.6 76,-2.8 -2,-0.3 2,-0.3 -0.989 7.3-170.8-144.3 154.6 -29.4 27.7 -18.3 38 246 A K E -BC 12 112A 112 -26,-1.5 -26,-2.6 -2,-0.3 2,-0.5 -0.994 18.2-133.3-144.7 146.3 -29.8 31.0 -20.1 39 247 A V E -B 11 0A 4 72,-2.9 2,-0.7 -2,-0.3 -28,-0.2 -0.861 14.5-141.5 -99.7 125.0 -31.0 32.0 -23.6 40 248 A T S S- 0 0 90 -30,-3.3 2,-0.2 -2,-0.5 -2,-0.0 -0.810 73.5 -21.1 -84.7 116.5 -28.9 34.5 -25.6 41 249 A G S S- 0 0 32 -2,-0.7 69,-1.5 2,-0.0 70,-0.4 -0.527 107.0 -30.9 84.6-153.0 -31.5 36.7 -27.4 42 250 A Q - 0 0 118 -2,-0.2 2,-0.2 67,-0.2 67,-0.1 -0.787 47.4-171.0-108.3 148.4 -35.1 35.8 -28.1 43 251 A V - 0 0 8 62,-0.4 2,-0.3 -2,-0.3 65,-0.2 -0.732 13.2-140.7-121.0 175.9 -36.8 32.4 -28.8 44 252 A K > - 0 0 111 -2,-0.2 3,-2.3 63,-0.1 57,-0.2 -0.911 38.4 -71.6-134.7 163.0 -40.3 31.7 -29.9 45 253 A S T 3 S+ 0 0 27 -2,-0.3 57,-0.2 1,-0.3 -43,-0.1 -0.293 121.1 29.4 -56.2 134.5 -42.9 29.0 -29.0 46 254 A G T 3 S+ 0 0 3 55,-2.8 -42,-3.0 1,-0.4 -1,-0.3 0.106 86.0 125.2 96.6 -22.5 -41.8 25.7 -30.5 47 255 A D < - 0 0 4 -3,-2.3 54,-2.7 -43,-0.2 -1,-0.4 -0.424 43.8-169.5 -60.2 144.7 -38.1 26.4 -30.2 48 256 A Y E -aD 6 100A 40 -43,-2.6 -41,-3.5 52,-0.2 2,-0.3 -0.966 21.9-162.6-141.5 155.8 -36.4 23.7 -28.3 49 257 A F E - D 0 99A 2 50,-2.0 50,-2.9 -2,-0.3 2,-0.3 -0.911 18.2-147.7-131.4 164.1 -33.1 22.7 -26.6 50 258 A T E - D 0 98A 7 -2,-0.3 89,-3.2 48,-0.2 2,-0.3 -0.848 15.1-156.2-131.3 162.4 -31.9 19.3 -25.5 51 259 A A E -ED 138 97A 0 46,-1.8 46,-3.2 -2,-0.3 2,-0.4 -0.991 18.4-156.3-134.1 143.9 -29.8 17.4 -23.0 52 260 A K E -ED 137 96A 90 85,-2.5 85,-2.6 -2,-0.3 44,-0.2 -0.969 3.2-148.6-128.5 131.9 -28.3 14.0 -23.8 53 261 A L - 0 0 17 42,-2.6 83,-0.1 -2,-0.4 6,-0.1 -0.699 16.2-128.9 -98.9 149.2 -27.3 11.2 -21.4 54 262 A P > - 0 0 32 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 -0.196 38.6 -83.0 -87.1-177.5 -24.4 8.7 -21.9 55 263 A D T 3 S+ 0 0 103 1,-0.2 70,-0.2 70,-0.1 79,-0.1 0.809 119.1 60.6 -55.9 -35.5 -24.4 4.9 -21.6 56 264 A S T 3 S+ 0 0 5 77,-0.4 66,-1.2 69,-0.1 2,-0.3 0.617 103.7 43.9 -76.2 -14.4 -24.0 4.8 -17.8 57 265 A V E < -T 121 0D 0 -3,-1.2 2,-0.3 64,-0.2 64,-0.2 -0.866 58.5-160.1-130.1 160.6 -27.1 6.6 -16.7 58 266 A T E -T 120 0D 13 62,-2.4 62,-2.7 -2,-0.3 34,-0.1 -0.957 20.6-142.2-134.9 158.6 -30.8 6.8 -17.4 59 267 A G S S+ 0 0 2 -2,-0.3 -1,-0.1 60,-0.2 33,-0.1 0.588 102.2 43.0 -90.5 -12.8 -33.6 9.4 -16.8 60 268 A N S > S- 0 0 16 1,-0.2 281,-1.9 280,-0.1 3,-1.6 0.713 78.3-179.6-106.5 -27.9 -36.2 6.8 -16.0 61 269 A G B 3 S-N 340 0C 14 1,-0.3 279,-0.3 279,-0.2 -1,-0.2 -0.373 72.7 -6.0 63.9-135.4 -34.4 4.3 -13.8 62 270 A D T 3 S+ 0 0 5 277,-3.1 111,-1.3 257,-0.2 2,-0.5 0.289 111.5 99.9 -79.8 12.2 -36.6 1.4 -12.7 63 271 A V B < -u 173 0E 9 -3,-1.6 2,-0.4 109,-0.2 111,-0.2 -0.896 67.4-144.5-100.6 129.3 -39.8 2.9 -14.3 64 272 A D + 0 0 23 109,-2.0 112,-0.4 -2,-0.5 111,-0.4 -0.782 25.0 175.7-102.1 130.0 -40.5 1.3 -17.7 65 273 A Y > > + 0 0 3 -2,-0.4 5,-2.1 1,-0.1 3,-2.1 0.188 48.7 111.4-117.8 16.0 -41.9 3.3 -20.7 66 274 A S G > 5S+ 0 0 49 1,-0.3 3,-0.5 3,-0.2 -1,-0.1 0.774 80.7 51.6 -64.7 -23.1 -41.9 0.6 -23.3 67 275 A N G 3 5S+ 0 0 53 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.429 106.8 55.8 -91.6 3.5 -45.7 0.5 -23.3 68 276 A S G X 5S- 0 0 32 -3,-2.1 3,-1.6 3,-0.0 -1,-0.2 -0.311 126.4 -89.9-126.5 41.8 -45.8 4.3 -23.7 69 277 A N T < 5S- 0 0 135 -3,-0.5 -3,-0.2 1,-0.3 -2,-0.1 0.782 71.8 -74.7 56.8 31.2 -43.8 4.6 -26.9 70 278 A N T 3 - 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