==== 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 28-JAN-11 3AU0 . COMPND 2 MOLECULE: CLUMPING FACTOR B; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR V.K.GANESH,E.M.BARBU,C.C.S.DEIVANAYAGAM,B.LE,A.S.ANDERSON,Y. . 339 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17560.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 208 61.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 116 34.2 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 . 1 0.3 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 . 36 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 8.6 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 . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 5 1 1 1 5 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 . 1 2 0 1 0 2 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 1 203 A P 0 0 177 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 52.5 21.1 -7.6 15.0 2 204 A V - 0 0 144 0, 0.0 2,-0.2 0, 0.0 0, 0.0 -0.841 360.0 -86.5 115.3-149.1 17.6 -6.1 15.7 3 205 A V - 0 0 124 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.638 57.4 -19.3-144.2-161.2 15.7 -2.9 14.5 4 206 A N + 0 0 123 -2,-0.2 -1,-0.2 1,-0.1 0, 0.0 -0.036 36.0 177.2 -53.8 151.4 14.9 0.8 14.9 5 207 A V > + 0 0 110 3,-0.1 3,-1.5 2,-0.1 4,-0.2 0.684 20.2 149.0-125.6 -38.8 15.6 2.8 18.1 6 208 A A T 3 S- 0 0 73 1,-0.3 -2,-0.1 2,-0.1 0, 0.0 0.425 85.4 -86.2 -6.4 69.3 14.7 6.4 17.5 7 209 A D T 3 + 0 0 124 1,-0.1 -1,-0.3 4,-0.1 4,-0.2 0.582 69.3 171.8 15.4 37.7 13.7 6.7 21.2 8 210 A A X + 0 0 59 -3,-1.5 3,-1.9 2,-0.1 -1,-0.1 0.840 27.5 128.1 -30.6 -65.9 10.2 5.4 20.2 9 211 A K T 3 S- 0 0 131 1,-0.3 2,-1.6 -4,-0.2 3,-0.1 0.140 87.2 -16.7 35.9-153.5 9.1 5.1 23.9 10 212 A G T 3 S- 0 0 15 42,-0.6 -1,-0.3 1,-0.2 40,-0.2 0.050 114.1 -96.6 -67.4 32.6 5.8 6.8 24.9 11 213 A T < - 0 0 74 -3,-1.9 43,-1.4 -2,-1.6 2,-0.4 0.583 39.1 -83.4 59.9 144.0 6.2 8.7 21.6 12 214 A N B -a 54 0A 62 41,-0.2 3,-0.3 -3,-0.1 43,-0.2 -0.633 36.4-173.8 -77.8 126.8 7.6 12.2 21.1 13 215 A V > + 0 0 0 41,-2.9 3,-2.4 -2,-0.4 42,-0.2 -0.051 44.1 123.6-114.4 33.1 5.1 14.9 21.8 14 216 A N G > S+ 0 0 5 40,-0.3 3,-1.3 1,-0.3 -1,-0.2 0.797 72.0 67.1 -59.5 -25.0 7.1 18.0 20.7 15 217 A D G 3 S+ 0 0 109 1,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.515 101.9 45.2 -72.9 -6.0 4.2 18.5 18.4 16 218 A K G < S+ 0 0 52 -3,-2.4 30,-2.7 30,-0.1 31,-0.7 0.204 102.2 79.9-120.6 12.0 2.0 19.2 21.4 17 219 A V E < -G 45 0B 5 -3,-1.3 2,-0.5 28,-0.2 28,-0.2 -0.980 55.3-168.2-128.2 127.2 4.4 21.5 23.2 18 220 A T E -G 44 0B 64 26,-2.1 26,-1.8 -2,-0.4 2,-0.3 -0.957 8.3-156.6-116.2 123.9 5.1 25.2 22.5 19 221 A A E +G 43 0B 2 -2,-0.5 2,-0.3 125,-0.4 24,-0.2 -0.720 24.2 157.7 -95.4 148.2 8.1 27.0 24.0 20 222 A S E +G 42 0B 54 22,-2.6 22,-3.9 -2,-0.3 129,-0.0 -0.979 42.3 50.3-161.8 168.8 8.0 30.7 24.4 21 223 A N E S- 0 0 83 -2,-0.3 2,-0.3 20,-0.2 -1,-0.1 0.924 70.6-169.7 61.0 45.5 9.4 33.6 26.3 22 224 A F E - 0 0 37 19,-0.2 2,-0.4 -3,-0.1 19,-0.2 -0.514 7.0-179.6 -71.5 129.4 13.0 32.4 25.6 23 225 A K E -G 40 0B 112 17,-2.8 17,-2.1 -2,-0.3 2,-0.4 -0.985 20.0-158.1-136.5 143.4 15.7 34.2 27.6 24 226 A L E -G 39 0B 33 -2,-0.4 15,-0.2 15,-0.2 3,-0.1 -0.978 16.7-143.0-119.5 129.9 19.5 34.0 27.9 25 227 A E S S- 0 0 118 13,-2.4 2,-0.3 -2,-0.4 -1,-0.2 0.948 81.3 -16.9 -53.0 -55.3 21.3 35.3 31.0 26 228 A K - 0 0 79 12,-0.3 -1,-0.2 -3,-0.1 12,-0.2 -0.975 46.7-153.6-150.9 159.2 24.2 36.6 28.9 27 229 A T S S+ 0 0 64 -2,-0.3 127,-3.2 1,-0.1 2,-0.4 0.334 78.9 58.3-118.1 2.6 25.7 36.1 25.5 28 230 A T E +i 154 0C 66 125,-0.2 2,-0.3 8,-0.1 127,-0.2 -0.994 63.6 127.5-137.9 130.4 29.3 37.0 26.1 29 231 A F E -i 155 0C 14 125,-1.9 127,-2.1 -2,-0.4 5,-0.1 -0.989 52.4-104.5-170.3 170.0 31.7 35.4 28.5 30 232 A D > > - 0 0 32 -2,-0.3 3,-2.4 125,-0.2 5,-2.1 -0.861 17.8-168.9-111.9 98.4 35.1 33.7 29.2 31 233 A P G > 5S+ 0 0 6 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 0.648 87.7 63.8 -59.5 -15.0 34.9 29.9 29.7 32 234 A N G 3 5S+ 0 0 7 1,-0.2 125,-0.1 124,-0.2 -2,-0.0 0.500 104.9 46.2 -87.7 -2.2 38.5 29.9 30.9 33 235 A Q G < 5S- 0 0 130 -3,-2.4 -1,-0.2 2,-0.0 -3,-0.2 -0.346 133.9 -79.4-132.6 50.0 37.5 32.0 33.9 34 236 A S T < 5S+ 0 0 111 -3,-0.6 2,-0.4 1,-0.2 -2,-0.1 0.665 79.9 161.1 62.9 16.3 34.3 30.2 35.1 35 237 A G < + 0 0 15 -5,-2.1 92,-0.3 -6,-0.0 2,-0.3 -0.560 7.3 131.1 -75.9 127.0 32.4 31.9 32.3 36 238 A N - 0 0 51 -2,-0.4 90,-0.2 -3,-0.1 2,-0.2 -0.947 35.6-137.4-159.5 174.5 29.0 30.3 31.4 37 239 A T E - H 0 125B 0 88,-2.4 88,-2.5 -2,-0.3 2,-0.3 -0.628 5.8-132.3-132.4-170.2 25.4 31.2 30.9 38 240 A F E - H 0 124B 78 86,-0.3 -13,-2.4 -12,-0.2 2,-0.3 -0.987 9.3-152.6-146.6 151.8 21.8 30.1 31.6 39 241 A M E -GH 24 123B 3 84,-2.6 84,-2.1 -2,-0.3 2,-0.3 -0.937 9.8-175.4-127.8 152.2 18.6 29.8 29.6 40 242 A A E +GH 23 122B 33 -17,-2.1 -17,-2.8 -2,-0.3 2,-0.3 -0.997 7.3 167.3-146.8 142.3 14.9 30.0 30.5 41 243 A A E - H 0 121B 2 80,-2.4 80,-2.2 -2,-0.3 2,-0.3 -0.992 27.9-127.2-153.7 158.1 11.7 29.4 28.7 42 244 A N E -GH 20 120B 42 -22,-3.9 -22,-2.6 -2,-0.3 2,-0.3 -0.726 27.0-171.6-101.4 155.2 8.0 29.0 29.2 43 245 A F E -GH 19 119B 5 76,-2.3 76,-2.7 -2,-0.3 2,-0.4 -0.988 10.7-168.2-152.5 140.9 6.0 26.1 27.7 44 246 A T E -GH 18 118B 45 -26,-1.8 -26,-2.1 -2,-0.3 2,-0.7 -0.981 24.8-127.5-129.4 140.0 2.4 25.1 27.4 45 247 A V E -G 17 0B 10 72,-2.8 71,-0.3 -2,-0.4 -28,-0.2 -0.799 20.7-168.4 -88.7 115.2 1.0 21.7 26.4 46 248 A T + 0 0 72 -30,-2.7 2,-0.3 -2,-0.7 -1,-0.1 0.659 65.3 25.8 -79.3 -19.3 -1.4 22.3 23.5 47 249 A D S S- 0 0 104 -31,-0.7 2,-0.2 68,-0.0 -31,-0.1 -0.855 98.6 -70.7-137.3 173.5 -3.1 18.8 23.4 48 250 A K + 0 0 152 -2,-0.3 2,-0.3 67,-0.0 67,-0.1 -0.471 53.4 179.8 -69.2 132.0 -3.8 15.9 25.7 49 251 A V - 0 0 6 62,-0.4 65,-0.3 65,-0.3 2,-0.2 -0.881 13.4-140.4-130.7 163.9 -0.7 13.9 26.7 50 252 A K > - 0 0 105 -2,-0.3 3,-1.6 -40,-0.2 2,-0.5 -0.606 36.7 -76.0-118.1 177.6 -0.1 10.9 28.8 51 253 A S T 3 S+ 0 0 43 1,-0.3 57,-0.2 -2,-0.2 58,-0.1 -0.636 121.1 33.1 -75.4 120.8 2.5 9.6 31.3 52 254 A G T 3 S+ 0 0 14 55,-2.3 -42,-0.6 1,-0.6 -1,-0.3 0.182 87.3 122.3 115.8 -16.8 5.5 8.5 29.3 53 255 A D < - 0 0 7 -3,-1.6 54,-2.8 55,-0.2 -1,-0.6 -0.546 43.4-170.7 -75.8 146.4 5.1 11.2 26.6 54 256 A Y E -aB 12 106A 14 -43,-1.4 -41,-2.9 52,-0.2 2,-0.3 -0.987 20.5-160.2-144.6 151.7 8.1 13.4 26.2 55 257 A F E - B 0 105A 0 50,-1.6 50,-2.6 -2,-0.3 2,-0.3 -0.865 19.9-147.9-124.3 160.4 9.4 16.6 24.6 56 258 A T E - B 0 104A 24 -2,-0.3 89,-2.8 48,-0.2 2,-0.4 -0.793 14.6-150.8-130.7 171.6 13.0 17.6 23.9 57 259 A A E -CB 144 103A 1 46,-1.6 46,-2.9 -2,-0.3 2,-0.4 -0.994 17.7-156.2-139.4 134.1 15.4 20.5 23.5 58 260 A K E -CB 143 102A 88 85,-2.9 85,-2.2 -2,-0.4 44,-0.2 -0.944 6.4-143.8-118.9 134.7 18.5 20.3 21.3 59 261 A L - 0 0 1 42,-2.5 83,-0.1 -2,-0.4 82,-0.1 -0.710 18.6-123.2 -97.0 146.9 21.7 22.3 21.7 60 262 A P > - 0 0 25 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.177 38.9 -87.7 -77.2 176.1 23.8 23.6 18.7 61 263 A D T 3 S+ 0 0 99 1,-0.3 70,-0.3 70,-0.1 71,-0.1 0.805 122.7 60.4 -53.4 -34.6 27.4 22.9 18.1 62 264 A S T 3 S+ 0 0 3 77,-0.5 66,-0.9 69,-0.1 2,-0.3 0.534 102.1 54.8 -76.7 -8.1 28.5 25.9 20.2 63 265 A L E < -K 127 0D 0 -3,-1.7 2,-0.3 64,-0.2 64,-0.2 -0.862 52.4-170.8-129.3 162.4 27.0 24.8 23.5 64 266 A T E -K 126 0D 16 62,-1.8 62,-2.5 -2,-0.3 34,-0.1 -0.955 22.7-141.1-141.4 157.5 26.9 21.9 26.0 65 267 A G S S+ 0 0 1 -2,-0.3 33,-0.1 60,-0.2 -1,-0.1 0.601 100.2 43.2 -95.8 -12.6 24.7 21.2 29.0 66 268 A N S > S- 0 0 20 1,-0.2 3,-1.7 32,-0.1 2,-0.1 0.689 77.5-178.0-105.6 -23.9 27.4 19.7 31.1 67 269 A G T 3 S- 0 0 15 1,-0.2 -1,-0.2 60,-0.1 -2,-0.1 -0.358 72.0 -9.0 62.1-131.3 30.4 22.0 30.6 68 270 A D T 3 S+ 0 0 42 110,-0.1 111,-2.3 -2,-0.1 2,-0.8 0.360 108.7 103.6 -84.6 7.6 33.5 20.9 32.4 69 271 A V B < -l 179 0E 44 -3,-1.7 2,-0.3 109,-0.2 111,-0.2 -0.817 68.0-142.5 -92.8 112.2 31.7 18.3 34.4 70 272 A D + 0 0 15 109,-1.6 112,-0.4 -2,-0.8 111,-0.4 -0.560 26.8 173.4 -78.1 133.4 32.5 14.9 32.9 71 273 A Y > > + 0 0 11 -2,-0.3 3,-2.3 109,-0.1 5,-1.8 0.192 47.3 110.5-121.7 12.9 29.8 12.3 32.7 72 274 A S T 3 5S+ 0 0 67 1,-0.3 3,-0.5 4,-0.2 -1,-0.1 0.742 79.7 53.9 -60.8 -23.7 31.6 9.7 30.6 73 275 A N T 3 5S+ 0 0 64 1,-0.2 -1,-0.3 2,-0.1 112,-0.1 0.244 104.0 59.3 -94.4 13.6 31.7 7.4 33.7 74 276 A S T X 5S- 0 0 30 -3,-2.3 3,-1.5 108,-0.0 -1,-0.2 -0.250 130.8 -82.0-133.3 45.2 28.0 7.8 34.1 75 277 A N T 3 5S- 0 0 152 -3,-0.5 -3,-0.2 1,-0.3 -2,-0.1 0.704 74.9 -80.4 62.1 20.1 26.7 6.4 30.7 76 278 A N T 3 - 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