==== 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 07-MAY-12 4F1Z . 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 . 336 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15182.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 213 63.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 116 34.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 1 0.3 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 . 33 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 8.0 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 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 PARALLEL BRIDGES PER LADDER . 2 4 3 1 1 5 1 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 2 0 0 0 2 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 1 210 A A 0 0 142 0, 0.0 44,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0-170.8 40.9 -29.2 32.7 2 211 A K + 0 0 112 42,-0.1 44,-0.2 45,-0.0 3,-0.1 -0.110 360.0 169.4 151.2 99.7 39.4 -25.7 32.6 3 212 A G + 0 0 52 42,-1.5 2,-0.2 1,-0.2 43,-0.2 0.768 49.9 15.5 -94.2 -99.9 40.5 -23.0 35.1 4 213 A T - 0 0 73 1,-0.0 43,-1.4 2,-0.0 2,-0.9 -0.465 58.1-129.8 -89.5 151.7 39.5 -19.4 34.8 5 214 A N B -a 47 0A 65 41,-0.2 3,-0.5 -2,-0.2 43,-0.2 -0.827 24.9-177.3 -98.1 101.9 36.9 -17.5 32.7 6 215 A V >> + 0 0 4 41,-3.0 3,-4.1 -2,-0.9 4,-0.5 0.224 37.5 127.6 -94.0 15.4 38.8 -14.7 31.1 7 216 A N G >4 S+ 0 0 2 40,-0.4 3,-2.1 1,-0.3 -1,-0.2 0.801 72.6 59.5 -32.4 -46.7 36.0 -13.0 29.2 8 217 A D G 34 S+ 0 0 141 -3,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.592 103.4 50.6 -67.5 -14.6 37.0 -9.7 30.9 9 218 A K G <4 S+ 0 0 82 -3,-4.1 30,-1.6 29,-0.0 2,-0.4 0.434 105.2 81.4 -93.5 -2.5 40.4 -10.1 29.2 10 219 A V B << +G 38 0B 5 -3,-2.1 2,-0.4 -4,-0.5 28,-0.2 -0.889 50.4 179.3-120.6 134.4 38.6 -10.7 25.9 11 220 A T - 0 0 49 26,-2.0 26,-0.5 -2,-0.4 2,-0.1 -0.921 11.6-161.1-135.5 107.5 37.1 -8.4 23.3 12 221 A A + 0 0 2 125,-0.4 2,-0.3 -2,-0.4 24,-0.2 -0.409 20.5 157.1 -82.2 162.9 35.5 -9.7 20.1 13 222 A S E +H 35 0C 47 22,-2.2 22,-2.5 -2,-0.1 3,-0.1 -0.967 41.9 61.1-174.0 171.4 34.8 -7.5 17.1 14 223 A D E + 0 0 135 -2,-0.3 2,-0.2 1,-0.2 19,-0.1 0.813 69.9 174.1 62.6 31.2 34.2 -7.5 13.3 15 224 A F E + 0 0 26 19,-0.1 2,-0.3 20,-0.1 -1,-0.2 -0.499 4.8 160.4 -74.9 135.0 31.1 -9.6 13.9 16 225 A K E -H 33 0C 154 17,-1.4 17,-1.9 -2,-0.2 2,-0.6 -0.984 38.0-129.4-148.6 149.9 28.9 -10.4 10.9 17 226 A L E -H 32 0C 15 -2,-0.3 15,-0.2 15,-0.2 3,-0.2 -0.929 22.1-135.2 -98.0 123.0 26.2 -12.9 10.0 18 227 A E S S- 0 0 105 13,-2.8 2,-0.3 -2,-0.6 -1,-0.2 0.904 89.2 -8.3 -40.9 -47.0 27.0 -14.4 6.7 19 228 A K - 0 0 73 12,-0.3 -1,-0.2 -3,-0.1 12,-0.2 -0.985 55.1-148.7-156.2 150.3 23.3 -13.8 6.0 20 229 A T S S+ 0 0 85 -2,-0.3 127,-2.2 -3,-0.2 2,-0.3 0.311 79.1 47.3-104.8 6.4 20.2 -12.7 7.9 21 230 A A E +j 147 0D 47 125,-0.2 2,-0.3 8,-0.1 127,-0.2 -0.943 61.7 137.5-151.8 127.9 17.3 -14.6 6.2 22 231 A F E -j 148 0D 14 125,-2.1 127,-2.5 -2,-0.3 5,-0.1 -0.970 48.4-109.0-159.4 171.6 16.9 -18.3 5.1 23 232 A D > > - 0 0 33 -2,-0.3 5,-1.8 125,-0.2 3,-1.6 -0.938 19.7-167.8-112.5 107.2 14.6 -21.3 4.9 24 233 A P T > 5S+ 0 0 3 0, 0.0 3,-0.8 0, 0.0 307,-0.1 0.587 85.3 69.1 -72.9 -11.5 15.8 -24.0 7.4 25 234 A N T 3 5S+ 0 0 0 1,-0.2 304,-1.4 124,-0.2 305,-0.1 0.293 101.9 44.5 -88.3 4.6 13.5 -26.5 5.6 26 235 A Q B < 5S-l 329 0E 96 -3,-1.6 -1,-0.2 302,-0.2 304,-0.2 -0.128 135.1 -83.6-133.1 36.8 15.7 -26.4 2.5 27 236 A S T < 5S+ 0 0 17 302,-1.6 303,-0.2 -3,-0.8 -2,-0.1 0.752 75.8 165.6 66.9 27.3 19.0 -26.7 4.4 28 237 A G < + 0 0 16 -5,-1.8 92,-0.3 301,-0.3 2,-0.3 -0.399 7.7 133.0 -66.0 147.2 19.0 -22.9 5.1 29 238 A N - 0 0 5 90,-0.1 90,-0.2 -8,-0.1 2,-0.2 -0.929 33.3-145.6-177.1 174.9 21.5 -21.8 7.7 30 239 A T E - I 0 118C 0 88,-2.5 88,-2.0 -2,-0.3 2,-0.3 -0.550 11.8-121.4-134.7-160.0 24.1 -19.1 8.3 31 240 A F E - I 0 117C 50 86,-0.3 -13,-2.8 -2,-0.2 2,-0.5 -0.979 7.1-144.7-149.4 142.3 27.4 -18.5 10.0 32 241 A M E -HI 17 116C 0 84,-2.5 84,-3.2 -2,-0.3 2,-0.3 -0.921 24.8-175.2-102.1 134.6 28.6 -16.1 12.6 33 242 A A E +HI 16 115C 38 -17,-1.9 -17,-1.4 -2,-0.5 2,-0.3 -0.938 9.9 153.4-126.3 154.5 32.2 -15.0 12.1 34 243 A A E - I 0 114C 2 80,-1.5 80,-1.6 -2,-0.3 2,-0.3 -0.944 35.3-125.6-174.5 152.0 34.4 -12.8 14.3 35 244 A N E -HI 13 113C 55 -22,-2.5 -22,-2.2 -2,-0.3 2,-0.3 -0.751 27.9-164.5 -96.1 152.6 37.8 -11.7 15.4 36 245 A F E - I 0 112C 15 76,-1.2 76,-1.0 -2,-0.3 2,-0.3 -0.937 4.1-159.7-136.9 162.4 38.8 -11.7 19.1 37 246 A K E - I 0 111C 94 -26,-0.5 -26,-2.0 -2,-0.3 2,-1.0 -0.999 15.0-137.5-149.2 139.2 41.6 -10.2 21.2 38 247 A V B -G 10 0B 4 72,-1.6 2,-1.0 -2,-0.3 71,-0.5 -0.751 13.3-150.2-104.6 90.5 43.2 -10.8 24.5 39 248 A T S S- 0 0 91 -30,-1.6 2,-0.3 -2,-1.0 -2,-0.0 -0.409 77.9 -16.0 -53.0 97.0 44.0 -7.6 26.4 40 249 A G S S- 0 0 25 -2,-1.0 69,-1.3 2,-0.0 70,-0.5 -0.791 101.4 -47.5 106.7-144.7 47.0 -9.0 28.3 41 250 A Q - 0 0 99 -2,-0.3 2,-0.2 67,-0.2 67,-0.1 -0.827 40.7-175.7-134.2 166.7 48.0 -12.6 28.8 42 251 A V - 0 0 13 65,-0.4 2,-0.3 62,-0.3 64,-0.3 -0.813 13.3-131.3-150.0-173.6 46.7 -16.0 29.8 43 252 A K > - 0 0 106 -2,-0.2 3,-2.2 62,-0.1 57,-0.2 -0.938 44.5 -65.8-146.9 161.2 47.6 -19.6 30.6 44 253 A S T 3 S+ 0 0 55 -2,-0.3 57,-0.2 1,-0.2 -42,-0.1 -0.328 121.4 31.8 -53.5 122.1 46.7 -23.2 29.8 45 254 A G T 3 S+ 0 0 8 1,-0.5 -42,-1.5 55,-0.4 -1,-0.2 -0.111 87.1 113.5 119.7 -35.7 43.2 -23.6 31.3 46 255 A D < + 0 0 2 -3,-2.2 54,-1.0 -44,-0.2 -1,-0.5 -0.150 43.6 174.5 -60.0 168.7 41.8 -20.1 31.0 47 256 A Y E -aB 5 99A 37 -43,-1.4 -41,-3.0 52,-0.2 -40,-0.4 -0.984 25.5-148.6-167.9 159.3 38.9 -19.8 28.6 48 257 A F E - B 0 98A 3 50,-1.1 50,-2.1 -2,-0.3 2,-0.3 -0.869 21.2-144.1-129.9 171.1 36.2 -17.5 27.2 49 258 A T E - B 0 97A 8 -2,-0.3 89,-2.7 48,-0.2 2,-0.3 -0.833 11.1-153.1-131.1 166.3 32.7 -18.3 26.0 50 259 A A E -CB 137 96A 0 46,-1.6 46,-2.8 -2,-0.3 2,-0.4 -0.973 16.6-161.9-132.9 146.8 30.0 -17.4 23.5 51 260 A K E -CB 136 95A 103 85,-2.1 85,-2.7 -2,-0.3 44,-0.2 -0.998 7.6-141.6-136.9 140.5 26.3 -17.9 24.1 52 261 A L - 0 0 14 42,-1.7 83,-0.1 -2,-0.4 6,-0.1 -0.764 18.2-121.3-105.4 142.1 23.4 -18.1 21.6 53 262 A P - 0 0 25 0, 0.0 -1,-0.1 0, 0.0 80,-0.1 0.194 41.3 -89.7 -60.8-171.8 19.8 -16.7 22.0 54 263 A D S S+ 0 0 115 1,-0.2 70,-0.2 78,-0.1 71,-0.1 0.747 119.1 64.8 -69.6 -26.7 16.7 -18.7 21.9 55 264 A S S S+ 0 0 4 77,-0.5 66,-0.9 69,-0.1 70,-0.2 0.892 101.2 40.8 -72.5 -41.6 16.4 -18.3 18.2 56 265 A V E -S 120 0F 2 64,-0.2 2,-0.3 68,-0.1 64,-0.2 -0.531 59.1-162.2-104.6 166.7 19.5 -20.1 16.9 57 266 A T E -S 119 0F 14 62,-2.3 62,-2.2 -2,-0.2 64,-0.1 -0.830 20.8-136.9-133.8-177.9 21.4 -23.3 17.7 58 267 A G S S+ 0 0 0 -2,-0.3 33,-0.1 60,-0.2 63,-0.1 0.247 100.5 40.8-124.7 6.0 24.9 -24.4 16.9 59 268 A N S > S- 0 0 14 273,-0.1 3,-2.8 1,-0.1 274,-0.7 0.411 77.9-175.4-132.5 -7.8 24.1 -28.0 15.9 60 269 A G B 3 S-M 332 0E 14 1,-0.3 272,-0.3 272,-0.2 -2,-0.1 -0.077 73.5 -7.4 41.8-128.1 20.9 -27.7 13.9 61 270 A D T 3 S+ 0 0 7 270,-3.3 111,-1.8 257,-0.2 2,-0.8 0.328 108.5 103.5 -86.8 11.5 19.6 -31.1 13.0 62 271 A V B < -t 172 0G 9 -3,-2.8 2,-0.2 109,-0.3 111,-0.2 -0.824 66.5-144.1 -87.8 112.2 22.6 -33.0 14.2 63 272 A D + 0 0 28 109,-0.9 112,-0.5 -2,-0.8 111,-0.4 -0.515 29.5 169.0 -79.0 140.8 21.6 -34.6 17.6 64 273 A Y > > + 0 0 0 -2,-0.2 3,-2.5 109,-0.1 5,-0.9 0.268 47.0 110.0-130.0 3.8 24.1 -34.9 20.4 65 274 A S G > 5S+ 0 0 55 1,-0.3 3,-0.8 3,-0.2 4,-0.2 0.830 78.6 55.7 -56.5 -33.3 21.8 -35.9 23.1 66 275 A N G 3 5S+ 0 0 61 1,-0.2 -1,-0.3 2,-0.1 112,-0.1 0.117 104.8 58.6 -84.0 23.7 23.4 -39.4 23.1 67 276 A S G X 5S- 0 0 38 -3,-2.5 3,-1.7 108,-0.0 -1,-0.2 -0.120 127.7 -89.0-140.6 37.2 26.7 -37.6 23.7 68 277 A N T < 5S- 0 0 144 -3,-0.8 -3,-0.2 1,-0.3 -2,-0.1 0.875 73.6 -76.3 56.7 38.8 26.0 -35.7 26.9 69 278 A N T 3 - 0 0 28 4,-1.2 3,-1.1 -2,-0.2 6,-0.1 -0.487 52.7 -89.8-101.3-173.9 48.1 -21.1 14.7 79 288 A T T 3 S+ 0 0 145 1,-0.3 -2,-0.0 -2,-0.2 0, 0.0 0.816 123.8 60.9 -75.5 -29.7 49.8 -21.3 11.3 80 289 A N T 3 S- 0 0 115 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.255 123.6-102.9 -77.4 12.6 52.1 -24.2 12.2 81 290 A G < + 0 0 36 -3,-1.1 2,-0.3 1,-0.3 -2,-0.1 0.435 68.5 161.3 81.5 -0.2 49.0 -26.2 12.9 82 291 A D - 0 0 65 1,-0.1 -4,-1.2 -5,-0.1 2,-0.7 -0.350 45.1-123.5 -60.4 116.5 49.7 -25.7 16.6 83 292 A V E +D 77 0A 52 -2,-0.3 -6,-0.3 -6,-0.2 20,-0.2 -0.475 35.4 175.5 -64.1 106.7 46.5 -26.3 18.6 84 293 A V E + 0 0 15 -8,-2.3 17,-1.4 -2,-0.7 19,-0.4 0.936 63.8 2.9 -79.0 -50.0 46.0 -23.1 20.4 85 294 A A E -DE 76 100A 2 -9,-1.8 -9,-2.6 15,-0.2 2,-0.4 -0.960 63.2-134.2-137.8 155.6 42.7 -23.9 22.0 86 295 A K E - E 0 99A 111 13,-1.9 13,-3.0 -2,-0.3 2,-0.3 -0.861 30.4-163.1-107.9 142.1 40.3 -26.8 22.2 87 296 A A E +DE 73 98A 3 -14,-0.8 -14,-1.7 -2,-0.4 2,-0.3 -0.956 19.0 159.0-136.5 150.1 36.6 -26.0 21.7 88 297 A T E -DE 72 97A 59 9,-1.4 9,-2.5 -2,-0.3 2,-0.3 -0.937 23.4-136.1-156.0 173.5 33.2 -27.5 22.3 89 298 A Y E -DE 71 96A 2 -18,-1.7 -18,-3.2 -2,-0.3 2,-0.7 -0.995 12.3-133.0-144.1 138.2 29.6 -26.5 22.5 90 299 A D E >> -DE 70 95A 46 5,-2.5 4,-1.5 -2,-0.3 5,-0.8 -0.858 7.7-157.3-100.8 116.0 26.8 -27.4 24.9 91 300 A I T 45S+ 0 0 29 -22,-2.3 -1,-0.2 -2,-0.7 -21,-0.1 0.801 92.6 45.5 -56.6 -33.1 23.5 -28.2 23.2 92 301 A L T 45S+ 0 0 119 -23,-0.5 -1,-0.2 1,-0.2 -22,-0.1 0.933 122.5 30.4 -82.6 -49.9 21.5 -27.4 26.3 93 302 A T T 45S- 0 0 85 2,-0.1 -2,-0.2 -42,-0.0 -41,-0.2 0.427 97.5-131.8 -87.7 -2.9 23.1 -24.1 27.5 94 303 A K T <5 + 0 0 17 -4,-1.5 -42,-1.7 1,-0.2 2,-0.5 0.872 56.0 151.1 49.1 42.0 24.0 -23.1 24.0 95 304 A T E < -BE 51 90A 25 -5,-0.8 -5,-2.5 -44,-0.2 2,-0.5 -0.901 38.2-158.3-110.5 125.1 27.4 -22.3 25.3 96 305 A Y E -BE 50 89A 1 -46,-2.8 -46,-1.6 -2,-0.5 2,-0.5 -0.881 14.5-167.7 -91.8 132.3 30.7 -22.4 23.2 97 306 A T E -BE 49 88A 20 -9,-2.5 -9,-1.4 -2,-0.5 2,-0.6 -0.981 8.1-165.9-126.1 123.6 33.7 -22.8 25.4 98 307 A F E -BE 48 87A 5 -50,-2.1 -50,-1.1 -2,-0.5 2,-0.6 -0.921 8.9-169.0-109.2 114.5 37.2 -22.3 24.1 99 308 A V E -BE 47 86A 32 -13,-3.0 -13,-1.9 -2,-0.6 -52,-0.2 -0.873 15.8-132.4-116.3 109.6 39.9 -23.6 26.4 100 309 A F E - 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