==== 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/CYTOKINE 07-MAY-12 4F20 . 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 . 342 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15330.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 230 67.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 123 36.0 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 . 2 0.6 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 . 39 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 7.9 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 . 1 5 1 1 2 5 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 1 210 A A 0 0 129 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 103.2 -41.9 28.2 33.0 2 211 A K + 0 0 131 1,-0.1 44,-0.2 97,-0.1 3,-0.1 -0.553 360.0 150.0 -68.9 115.6 -39.1 25.6 32.4 3 212 A G + 0 0 48 42,-2.6 2,-0.4 -2,-0.5 43,-0.2 0.624 36.9 20.4-113.9 -99.7 -39.9 22.8 34.8 4 213 A T - 0 0 77 1,-0.0 43,-2.7 2,-0.0 2,-0.9 -0.660 56.4-132.2 -97.7 133.1 -39.3 19.0 34.7 5 214 A N B +a 47 0A 70 -2,-0.4 3,-0.4 41,-0.2 43,-0.2 -0.698 24.9 179.6 -77.9 106.7 -36.7 17.1 32.7 6 215 A V >> + 0 0 6 41,-2.5 3,-2.0 -2,-0.9 4,-0.5 -0.156 35.9 128.5-105.2 38.7 -38.6 14.3 31.1 7 216 A N G >4 S+ 0 0 5 1,-0.3 3,-1.0 2,-0.2 -1,-0.2 0.838 71.7 63.2 -55.2 -34.0 -35.8 12.6 29.1 8 217 A D G 34 S+ 0 0 129 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.560 105.4 45.7 -69.9 -8.4 -36.9 9.4 30.8 9 218 A K G <4 S+ 0 0 63 -3,-2.0 30,-1.3 29,-0.0 2,-0.4 0.430 104.5 69.2-113.3 -4.4 -40.2 9.7 29.0 10 219 A V E << -B 38 0A 8 -3,-1.0 2,-0.4 -4,-0.5 28,-0.2 -0.930 59.4-167.9-117.7 142.6 -38.9 10.6 25.5 11 220 A T E -B 37 0A 62 26,-2.3 26,-2.4 -2,-0.4 2,-0.2 -0.994 13.1-138.1-132.3 136.9 -37.0 8.3 23.1 12 221 A A E -B 36 0A 6 125,-0.4 2,-0.3 -2,-0.4 24,-0.2 -0.607 22.3-174.0 -95.2 153.4 -35.2 9.2 19.9 13 222 A S E +B 35 0A 49 22,-2.4 22,-2.8 -2,-0.2 -2,-0.0 -0.992 51.5 18.5-150.7 148.3 -35.3 7.2 16.7 14 223 A D E - 0 0 123 -2,-0.3 2,-0.5 20,-0.2 -1,-0.2 0.925 69.4-172.9 57.8 52.1 -33.8 6.9 13.2 15 224 A F E + 0 0 31 19,-0.1 2,-0.3 -3,-0.1 -1,-0.2 -0.644 13.3 158.0 -79.4 125.2 -30.7 9.0 13.9 16 225 A K E -B 33 0A 162 17,-1.3 17,-1.3 -2,-0.5 2,-0.3 -0.989 38.0-131.8-142.8 138.7 -28.5 9.9 10.9 17 226 A L E -B 32 0A 18 -2,-0.3 15,-0.2 15,-0.2 3,-0.2 -0.694 25.4-128.6 -77.4 143.1 -26.0 12.6 10.2 18 227 A E S S- 0 0 105 13,-2.4 2,-0.3 -2,-0.3 -1,-0.1 0.937 90.3 -6.5 -59.1 -46.8 -26.8 14.1 6.8 19 228 A K - 0 0 76 12,-0.2 -1,-0.3 -3,-0.1 12,-0.2 -0.987 59.2-144.8-148.6 154.0 -23.1 13.6 5.9 20 229 A T S S+ 0 0 87 -2,-0.3 127,-1.9 1,-0.2 2,-0.3 0.517 79.9 36.7 -98.6 -7.8 -20.1 12.3 7.8 21 230 A A E +k 147 0B 41 125,-0.2 2,-0.3 8,-0.1 127,-0.2 -0.991 62.4 135.2-151.1 138.0 -17.3 14.4 6.3 22 231 A F E -k 148 0B 16 125,-2.0 127,-2.9 -2,-0.3 3,-0.1 -0.952 49.9 -91.9-163.4-178.1 -16.8 18.0 5.0 23 232 A D > > - 0 0 31 -2,-0.3 5,-2.4 125,-0.2 3,-1.9 -0.897 21.4-169.6-113.4 101.9 -14.7 21.1 4.8 24 233 A P T > 5S+ 0 0 0 0, 0.0 3,-0.7 0, 0.0 315,-0.1 0.698 88.9 61.7 -59.6 -20.4 -15.7 23.7 7.4 25 234 A N T 3 5S+ 0 0 0 1,-0.2 312,-3.2 124,-0.1 125,-0.1 0.514 102.9 48.3 -87.2 -7.0 -13.4 26.2 5.5 26 235 A Q B < 5S-m 337 0C 94 -3,-1.9 -1,-0.2 310,-0.2 312,-0.2 -0.224 132.7 -86.3-120.2 41.4 -15.6 26.0 2.4 27 236 A S T < 5S+ 0 0 20 310,-2.4 2,-0.2 -3,-0.7 311,-0.2 0.693 76.5 162.9 64.3 22.2 -18.9 26.5 4.2 28 237 A G < + 0 0 14 -5,-2.4 92,-0.3 309,-0.3 2,-0.2 -0.493 4.0 136.0 -72.5 138.8 -19.1 22.8 4.9 29 238 A N - 0 0 4 -2,-0.2 2,-0.2 90,-0.1 90,-0.2 -0.807 30.0-149.4-154.0-163.2 -21.5 21.6 7.6 30 239 A T E - C 0 118A 1 88,-2.2 88,-2.3 -2,-0.2 2,-0.3 -0.853 13.2-113.3-157.5-163.5 -24.1 18.9 8.2 31 240 A F E - C 0 117A 54 86,-0.3 -13,-2.4 -2,-0.2 2,-0.5 -0.997 6.2-146.4-142.9 143.5 -27.4 18.1 10.0 32 241 A M E -BC 17 116A 0 84,-2.7 84,-2.8 -2,-0.3 2,-0.4 -0.948 28.1-179.1-103.4 135.5 -28.5 15.8 12.7 33 242 A A E +BC 16 115A 35 -17,-1.3 -17,-1.3 -2,-0.5 2,-0.3 -0.993 7.5 152.6-136.3 142.7 -32.0 14.6 12.2 34 243 A A E - C 0 114A 4 80,-2.2 80,-2.4 -2,-0.4 2,-0.2 -0.991 35.1-124.3-163.9 156.2 -34.3 12.3 14.2 35 244 A N E -BC 13 113A 73 -22,-2.8 -22,-2.4 -2,-0.3 2,-0.3 -0.604 28.0-164.5 -90.8 162.8 -37.7 11.2 15.3 36 245 A F E -BC 12 112A 8 76,-2.2 76,-2.2 -24,-0.2 2,-0.4 -0.986 7.9-158.8-150.3 144.6 -38.8 11.2 18.9 37 246 A K E -BC 11 111A 71 -26,-2.4 -26,-2.3 -2,-0.3 2,-1.0 -0.981 13.3-143.2-125.6 135.9 -41.7 9.6 20.8 38 247 A V E -B 10 0A 0 72,-2.7 2,-1.0 -2,-0.4 72,-0.4 -0.803 14.7-153.1 -95.9 93.2 -43.1 10.6 24.2 39 248 A T S S+ 0 0 87 -30,-1.3 2,-0.3 -2,-1.0 -2,-0.0 -0.568 73.1 0.5 -65.7 102.8 -44.1 7.4 25.9 40 249 A G S S- 0 0 38 -2,-1.0 69,-0.9 2,-0.0 70,-0.5 -0.781 102.2 -56.7 114.2-161.2 -46.8 8.8 28.1 41 250 A Q - 0 0 100 -2,-0.3 2,-0.3 67,-0.2 67,-0.1 -0.838 43.6-174.2-121.0 158.3 -48.2 12.3 28.6 42 251 A V - 0 0 8 62,-0.4 2,-0.3 -2,-0.3 65,-0.2 -0.840 9.2-141.8-139.4 177.4 -46.5 15.6 29.4 43 252 A K > - 0 0 111 -2,-0.3 3,-2.3 63,-0.1 2,-0.3 -0.886 42.7 -58.6-140.3 172.6 -47.5 19.3 30.2 44 253 A S T 3 S+ 0 0 58 -2,-0.3 57,-0.2 1,-0.3 58,-0.1 -0.329 122.6 26.8 -55.2 109.9 -46.5 22.9 29.6 45 254 A G T 3 S+ 0 0 5 55,-0.9 -42,-2.6 1,-0.6 -1,-0.3 0.001 86.0 119.9 124.7 -28.7 -43.0 23.2 31.1 46 255 A D < - 0 0 4 -3,-2.3 54,-2.5 -43,-0.2 -1,-0.6 -0.383 44.7-173.5 -63.5 147.5 -41.7 19.7 30.8 47 256 A Y E -aD 5 99A 45 -43,-2.7 -41,-2.5 52,-0.2 2,-0.3 -0.970 21.9-156.4-145.7 156.5 -38.6 19.5 28.6 48 257 A F E - D 0 98A 2 50,-2.2 50,-2.8 -2,-0.3 2,-0.3 -0.923 18.1-142.2-131.3 165.6 -36.1 17.2 26.9 49 258 A T E - D 0 97A 23 -2,-0.3 89,-2.2 48,-0.2 2,-0.3 -0.811 13.9-160.0-129.0 160.2 -32.6 17.7 25.8 50 259 A A E -ED 137 96A 0 46,-1.9 46,-2.8 -2,-0.3 2,-0.4 -0.985 19.5-155.3-131.7 144.1 -29.9 17.0 23.1 51 260 A K E -ED 136 95A 106 85,-3.0 85,-2.4 -2,-0.3 44,-0.2 -0.975 3.7-146.7-132.0 129.3 -26.2 17.3 23.8 52 261 A L - 0 0 3 42,-2.5 83,-0.1 -2,-0.4 6,-0.1 -0.676 18.6-129.1 -93.4 141.1 -23.3 17.9 21.4 53 262 A P - 0 0 20 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.032 35.7 -89.9 -72.3-174.8 -19.8 16.5 21.9 54 263 A D S S+ 0 0 108 1,-0.2 70,-0.2 78,-0.1 79,-0.1 0.829 119.6 61.7 -65.4 -34.1 -16.5 18.4 21.9 55 264 A S S S+ 0 0 5 77,-0.4 66,-1.3 69,-0.1 2,-0.2 0.775 105.7 39.8 -70.8 -29.1 -16.0 17.9 18.1 56 265 A V E -T 120 0D 3 -3,-0.3 2,-0.2 64,-0.2 64,-0.2 -0.704 59.3-159.9-120.2 167.3 -19.1 19.7 16.9 57 266 A T E -T 119 0D 14 62,-2.0 62,-1.7 -2,-0.2 64,-0.1 -0.794 17.8-141.6-131.9-179.9 -21.2 22.8 17.6 58 267 A G S S+ 0 0 0 -2,-0.2 33,-0.1 60,-0.2 62,-0.0 0.380 97.9 42.8-123.8 -1.7 -24.7 23.9 16.9 59 268 A N S > S- 0 0 16 1,-0.1 282,-1.8 281,-0.1 3,-1.5 0.573 81.1-174.7-119.4 -21.7 -24.1 27.6 16.1 60 269 A G B 3 -N 340 0C 15 1,-0.2 280,-0.3 280,-0.2 -1,-0.1 -0.302 67.2 -7.6 63.6-135.2 -21.0 27.5 14.0 61 270 A D T 3 S+ 0 0 5 278,-2.0 111,-1.0 110,-0.1 2,-0.6 0.315 108.6 103.4 -83.4 10.2 -19.4 30.7 12.9 62 271 A V B < -u 172 0E 10 -3,-1.5 2,-0.3 109,-0.2 111,-0.2 -0.850 69.4-139.2 -92.1 118.7 -22.4 32.7 14.3 63 272 A D + 0 0 26 109,-1.0 112,-0.4 -2,-0.6 111,-0.4 -0.597 29.1 171.7 -83.0 134.7 -21.3 34.3 17.7 64 273 A Y > > + 0 0 2 -2,-0.3 5,-2.1 109,-0.1 3,-1.3 0.061 49.4 107.5-124.8 22.0 -23.8 34.3 20.6 65 274 A S G > 5S+ 0 0 49 1,-0.3 3,-0.8 3,-0.2 -1,-0.1 0.845 81.5 51.1 -69.0 -34.2 -21.4 35.6 23.3 66 275 A N G 3 5S+ 0 0 55 1,-0.2 -1,-0.3 2,-0.1 112,-0.1 0.142 108.7 57.2 -86.1 19.9 -23.1 39.0 23.3 67 276 A S G X 5S- 0 0 35 -3,-1.3 3,-1.5 108,-0.0 -1,-0.2 -0.082 124.9 -91.6-140.7 33.8 -26.4 37.1 23.7 68 277 A N T < 5 - 0 0 146 -3,-0.8 -3,-0.2 1,-0.3 -2,-0.1 0.797 69.1 -78.5 58.6 32.7 -25.8 35.1 26.9 69 278 A N T 3 - 0 0 12 4,-2.0 3,-0.7 247,-0.2 249,-0.1 -0.308 43.7 -97.3 -93.2-174.2 -48.2 20.9 14.7 79 288 A T T 3 S+ 0 0 139 1,-0.2 248,-0.1 -2,-0.1 -1,-0.1 0.916 122.1 54.7 -70.7 -42.8 -49.6 20.6 11.2 80 289 A N T 3 S- 0 0 117 1,-0.1 2,-0.6 2,-0.1 -1,-0.2 0.159 121.8-101.5 -83.5 20.0 -52.4 23.1 11.9 81 290 A G S < S+ 0 0 34 -3,-0.7 -1,-0.1 1,-0.2 -2,-0.0 -0.360 77.1 126.4 106.4 -54.6 -49.9 25.8 13.0 82 291 A D - 0 0 65 -2,-0.6 -4,-2.0 -5,-0.2 -1,-0.2 -0.068 64.8-107.4 -53.1 137.4 -49.9 25.9 16.8 83 292 A V E -F 77 0A 47 -6,-0.2 20,-0.4 1,-0.1 -6,-0.3 -0.415 29.8-176.2 -68.6 134.3 -46.5 25.6 18.5 84 293 A V E S+ 0 0 0 -8,-3.8 17,-1.9 1,-0.4 2,-0.3 0.719 70.3 4.8-100.2 -29.5 -45.9 22.3 20.3 85 294 A A E -FH 76 100A 3 -9,-2.4 -9,-2.6 15,-0.3 2,-0.5 -0.995 59.3-136.2-154.8 147.5 -42.5 23.2 21.8 86 295 A K E - H 0 99A 107 13,-2.7 13,-2.7 -2,-0.3 2,-0.4 -0.934 29.3-154.5-105.9 133.0 -40.1 26.2 22.1 87 296 A A E +FH 73 98A 6 -14,-0.8 -14,-2.0 -2,-0.5 2,-0.3 -0.860 15.6 175.5-117.0 140.8 -36.5 25.3 21.5 88 297 A T E -FH 72 97A 55 9,-2.1 9,-2.7 -2,-0.4 2,-0.4 -0.949 15.6-146.8-139.8 158.4 -33.2 26.8 22.6 89 298 A Y E -FH 71 96A 1 -18,-2.1 -18,-2.8 -2,-0.3 2,-0.6 -0.986 5.1-150.2-133.8 127.2 -29.5 26.1 22.4 90 299 A D E >> -FH 70 95A 47 5,-2.4 5,-1.5 -2,-0.4 4,-0.8 -0.860 4.9-163.0 -97.8 119.3 -26.7 26.8 24.9 91 300 A I T 45S+ 0 0 28 -22,-2.8 -1,-0.2 -2,-0.6 -21,-0.1 0.886 87.3 49.1 -66.5 -43.6 -23.4 27.4 23.2 92 301 A L T 45S+ 0 0 121 -23,-0.4 -1,-0.2 1,-0.2 -22,-0.1 0.906 124.4 28.7 -67.0 -43.6 -21.2 26.8 26.3 93 302 A T T 45S- 0 0 76 2,-0.1 -1,-0.2 -42,-0.0 -2,-0.2 0.421 100.7-131.3 -97.6 -0.2 -22.8 23.6 27.3 94 303 A K T <5 + 0 0 13 -4,-0.8 -42,-2.5 1,-0.2 2,-0.5 0.908 53.9 155.0 51.0 48.2 -23.8 22.6 23.7 95 304 A T E < -DH 51 90A 29 -5,-1.5 -5,-2.4 -44,-0.2 2,-0.6 -0.921 38.5-156.9-120.0 122.6 -27.3 21.8 24.9 96 305 A Y E -DH 50 89A 1 -46,-2.8 -46,-1.9 -2,-0.5 2,-0.5 -0.823 15.2-168.2 -89.2 125.0 -30.6 21.8 23.0 97 306 A T E -DH 49 88A 16 -9,-2.7 -9,-2.1 -2,-0.6 2,-0.6 -0.964 6.5-169.4-119.5 117.6 -33.5 22.3 25.3 98 307 A F E -DH 48 87A 2 -50,-2.8 -50,-2.2 -2,-0.5 2,-0.5 -0.926 8.7-171.4-105.0 114.3 -37.0 21.7 23.9 99 308 A V E -DH 47 86A 31 -13,-2.7 -13,-2.7 -2,-0.6 -52,-0.2 -0.931 20.4-122.0-114.0 127.7 -39.7 22.9 26.3 100 309 A F E - 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