==== 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 4F24 . 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 . 334 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16559.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 213 63.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 119 35.6 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 . 38 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 7 2.1 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 . 1 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 4 2 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 1 201 A A 0 0 158 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -60.4 55.8 -29.9 -4.3 2 202 A E + 0 0 181 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.959 360.0 169.5-119.0 127.2 52.5 -29.8 -6.0 3 203 A P - 0 0 103 0, 0.0 2,-0.1 0, 0.0 0, 0.0 -0.977 37.9-102.9-134.0 147.6 49.9 -32.5 -6.0 4 204 A V - 0 0 146 -2,-0.3 2,-0.3 2,-0.0 -2,-0.0 -0.403 40.1-169.1 -67.1 141.9 46.2 -32.8 -7.0 5 205 A V - 0 0 113 -2,-0.1 2,-0.2 3,-0.0 3,-0.0 -0.980 20.6-165.0-134.5 147.4 43.7 -32.6 -4.1 6 206 A N - 0 0 159 -2,-0.3 2,-0.3 0, 0.0 -2,-0.0 -0.535 67.4 -0.5-131.4 70.0 40.0 -33.3 -3.9 7 207 A A S S- 0 0 70 -2,-0.2 2,-0.0 1,-0.0 0, 0.0 -0.844 72.4 -96.8 145.5-178.8 38.7 -31.9 -0.6 8 208 A A S S+ 0 0 65 -2,-0.3 2,-0.3 -3,-0.0 94,-0.1 -0.488 81.5 78.0-133.2 65.8 39.9 -30.1 2.6 9 209 A D - 0 0 76 2,-0.1 2,-0.5 -2,-0.0 90,-0.0 -0.990 64.4-124.7-161.8 163.0 40.4 -32.8 5.2 10 210 A A + 0 0 90 -2,-0.3 2,-0.3 0, 0.0 -2,-0.0 -0.966 58.1 89.9-116.4 128.7 42.8 -35.5 6.5 11 211 A K S S- 0 0 50 -2,-0.5 44,-0.2 1,-0.3 3,-0.1 -0.983 72.0 -61.8 173.9-171.5 41.4 -39.1 6.9 12 212 A G S S- 0 0 44 42,-2.2 2,-0.4 -2,-0.3 -1,-0.3 0.798 84.5 -35.8 -66.7-117.5 40.8 -42.5 5.4 13 213 A T - 0 0 89 2,-0.0 43,-1.5 44,-0.0 -1,-0.2 -0.943 55.5-114.2-121.3 137.0 38.6 -42.9 2.4 14 214 A N B -a 56 0A 70 -2,-0.4 43,-0.2 41,-0.2 3,-0.2 -0.386 25.1-169.9 -64.2 140.0 35.4 -41.1 1.5 15 215 A V >> + 0 0 6 41,-3.5 3,-1.9 1,-0.1 4,-1.2 -0.139 38.6 132.1-128.6 39.9 32.3 -43.4 1.5 16 216 A N T 34 S+ 0 0 22 1,-0.3 3,-0.4 2,-0.2 -1,-0.1 0.864 74.0 63.6 -55.5 -34.5 29.5 -41.3 -0.1 17 217 A D T 34 S+ 0 0 140 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.678 106.5 43.0 -65.5 -17.2 28.8 -44.4 -2.2 18 218 A K T <4 S+ 0 0 66 -3,-1.9 30,-2.6 1,-0.1 2,-0.5 0.608 103.6 76.3-103.7 -18.0 27.9 -46.4 1.0 19 219 A V E < -G 47 0B 5 -4,-1.2 2,-0.5 -3,-0.4 28,-0.2 -0.853 57.9-173.4-102.9 127.8 25.9 -43.6 2.6 20 220 A T E -G 46 0B 57 26,-1.9 26,-2.0 -2,-0.5 2,-0.2 -0.975 11.5-149.8-117.5 127.6 22.4 -42.8 1.5 21 221 A A E +G 45 0B 3 -2,-0.5 2,-0.3 125,-0.3 24,-0.2 -0.619 20.4 176.2 -91.7 157.0 20.5 -39.9 2.9 22 222 A S E +G 44 0B 45 22,-2.6 22,-2.8 -2,-0.2 -2,-0.0 -0.995 48.4 28.6-159.4 159.7 16.7 -39.7 3.2 23 223 A D E S- 0 0 100 -2,-0.3 2,-0.3 20,-0.2 -1,-0.1 0.928 71.4-168.2 51.3 51.1 13.7 -37.7 4.5 24 224 A F E + 0 0 26 19,-0.1 2,-0.4 -3,-0.1 19,-0.2 -0.542 10.4 175.7 -71.5 128.5 15.5 -34.5 3.9 25 225 A K E -G 42 0B 143 17,-2.2 17,-1.3 -2,-0.3 2,-0.4 -0.973 29.1-147.3-146.8 129.8 13.7 -31.5 5.5 26 226 A L E -G 41 0B 29 -2,-0.4 15,-0.2 15,-0.2 3,-0.1 -0.757 22.7-135.9 -83.8 132.3 14.1 -27.8 6.0 27 227 A E S S- 0 0 107 13,-2.7 2,-0.3 -2,-0.4 -1,-0.1 0.860 87.0 -14.1 -54.2 -34.3 12.6 -26.5 9.2 28 228 A K - 0 0 79 12,-0.3 -1,-0.2 -3,-0.0 3,-0.1 -0.986 48.3-140.8-164.7 163.1 11.4 -23.6 7.0 29 229 A T S S+ 0 0 79 -2,-0.3 127,-2.5 1,-0.2 2,-0.3 0.242 85.0 48.7-113.2 12.3 11.7 -22.0 3.6 30 230 A A E +i 156 0C 44 125,-0.2 2,-0.3 8,-0.1 127,-0.2 -0.957 58.6 134.3-155.7 133.5 11.4 -18.3 4.7 31 231 A F E -i 157 0C 13 125,-1.7 127,-2.0 -2,-0.3 3,-0.1 -0.979 50.2-103.3-166.9 168.7 12.9 -16.1 7.3 32 232 A D > > - 0 0 28 -2,-0.3 3,-2.4 125,-0.2 5,-1.5 -0.849 22.3-171.2-108.0 98.1 14.5 -12.7 8.0 33 233 A P G > 5S+ 0 0 4 0, 0.0 3,-1.5 0, 0.0 -1,-0.2 0.816 86.3 65.0 -54.6 -33.0 18.3 -13.1 8.4 34 234 A N G 3 5S+ 0 0 8 1,-0.3 125,-0.1 2,-0.2 -2,-0.0 0.500 101.7 50.8 -71.4 -2.5 18.4 -9.4 9.5 35 235 A Q G < 5S- 0 0 118 -3,-2.4 -1,-0.3 2,-0.0 3,-0.1 -0.091 130.7 -91.2-122.2 31.9 16.5 -10.5 12.6 36 236 A S T < 5S+ 0 0 86 -3,-1.5 2,-0.3 1,-0.2 -2,-0.2 0.835 76.0 163.3 61.2 32.4 18.7 -13.5 13.5 37 237 A G < + 0 0 18 -5,-1.5 92,-0.3 -6,-0.0 2,-0.3 -0.643 2.0 141.3 -86.1 139.5 16.5 -15.6 11.4 38 238 A N - 0 0 41 -2,-0.3 2,-0.3 -3,-0.1 90,-0.2 -0.890 31.9-133.8-157.0-173.8 17.6 -19.0 10.2 39 239 A T E - H 0 127B 0 88,-2.4 88,-3.5 -2,-0.3 2,-0.3 -0.825 11.3-130.3-140.5 179.9 16.7 -22.7 9.6 40 240 A F E - H 0 126B 83 86,-0.3 -13,-2.7 -2,-0.3 2,-0.4 -0.966 11.0-149.0-130.4 151.5 17.8 -26.2 10.2 41 241 A M E -GH 26 125B 0 84,-3.1 84,-2.7 -2,-0.3 2,-0.3 -0.913 19.5-176.4-114.0 148.9 18.2 -29.1 7.7 42 242 A A E +GH 25 124B 26 -17,-1.3 -17,-2.2 -2,-0.4 2,-0.3 -0.998 5.6 168.6-147.1 139.9 17.7 -32.6 8.9 43 243 A A E - H 0 123B 0 80,-2.2 80,-2.1 -2,-0.3 2,-0.3 -0.998 31.6-122.7-151.3 151.1 18.0 -36.0 7.4 44 244 A N E -GH 22 122B 55 -22,-2.8 -22,-2.6 -2,-0.3 2,-0.3 -0.632 34.7-172.8 -77.7 149.5 18.1 -39.7 8.0 45 245 A F E -GH 21 121B 8 76,-3.8 76,-2.7 -2,-0.3 2,-0.3 -0.994 9.4-169.3-149.8 144.6 21.2 -41.6 6.8 46 246 A K E -GH 20 120B 108 -26,-2.0 -26,-1.9 -2,-0.3 2,-0.6 -0.972 16.8-139.4-136.1 147.7 22.3 -45.2 6.5 47 247 A V E -G 19 0B 2 72,-2.9 2,-0.6 -2,-0.3 -28,-0.2 -0.922 16.6-148.4-106.9 115.8 25.5 -47.0 5.8 48 248 A T - 0 0 84 -30,-2.6 2,-0.3 -2,-0.6 72,-0.0 -0.747 68.1 -16.2 -83.8 123.5 25.2 -50.0 3.6 49 249 A G S S- 0 0 31 -2,-0.6 69,-1.6 2,-0.0 2,-0.3 -0.602 106.3 -33.6 86.4-144.4 27.8 -52.6 4.5 50 250 A Q + 0 0 98 -2,-0.3 2,-0.3 67,-0.2 67,-0.1 -0.886 47.0 176.7-121.5 146.4 30.8 -51.8 6.6 51 251 A V - 0 0 5 62,-0.4 2,-0.2 -2,-0.3 65,-0.2 -0.817 18.2-134.6-130.7 176.9 33.1 -48.8 7.1 52 252 A K > - 0 0 136 -2,-0.3 3,-1.8 63,-0.1 2,-0.4 -0.785 36.9 -67.1-131.4 175.1 36.1 -48.1 9.4 53 253 A S T 3 S+ 0 0 50 -2,-0.2 57,-0.2 1,-0.2 58,-0.1 -0.460 120.2 22.7 -62.5 116.7 37.6 -45.5 11.7 54 254 A G T 3 S+ 0 0 13 55,-1.0 -42,-2.2 1,-0.5 -1,-0.2 0.179 88.3 119.8 112.3 -17.0 38.6 -42.6 9.6 55 255 A D < - 0 0 23 -3,-1.8 54,-2.5 -43,-0.2 -1,-0.5 -0.340 45.8-170.4 -63.6 158.1 36.4 -43.1 6.5 56 256 A Y E -aB 14 108A 37 -43,-1.5 -41,-3.5 52,-0.2 2,-0.3 -0.984 24.0-154.2-152.4 164.0 34.1 -40.2 5.9 57 257 A F E - B 0 107A 0 50,-1.4 50,-2.1 -2,-0.3 2,-0.3 -0.887 21.4-145.4-135.6 170.6 31.1 -38.8 4.0 58 258 A T E - B 0 106A 30 -2,-0.3 89,-2.7 48,-0.2 2,-0.4 -0.859 12.9-152.5-139.3 161.4 30.2 -35.2 3.1 59 259 A A E -CB 146 105A 1 46,-1.4 46,-2.8 -2,-0.3 2,-0.4 -0.999 17.1-151.8-137.0 142.3 27.5 -32.6 2.6 60 260 A K E -CB 145 104A 84 85,-2.0 85,-2.2 -2,-0.4 44,-0.2 -0.933 2.3-148.2-121.4 133.6 27.7 -29.6 0.3 61 261 A L - 0 0 1 42,-3.0 83,-0.1 -2,-0.4 2,-0.1 -0.679 17.5-129.8 -91.8 145.1 26.0 -26.2 0.6 62 262 A P > - 0 0 25 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.377 37.5 -89.7 -84.4 172.2 25.0 -24.1 -2.4 63 263 A D T 3 S+ 0 0 101 1,-0.3 70,-0.3 -2,-0.1 79,-0.1 0.764 119.2 66.7 -44.1 -34.7 25.7 -20.4 -3.0 64 264 A S T 3 S+ 0 0 9 77,-0.4 66,-1.3 65,-0.1 2,-0.3 0.658 103.0 38.5 -71.3 -19.1 22.5 -19.4 -1.2 65 265 A V E < -K 129 0D 0 -3,-1.7 2,-0.3 64,-0.3 64,-0.3 -0.854 57.9-151.6-132.5 162.5 23.4 -20.6 2.3 66 266 A T E -K 128 0D 15 62,-2.8 62,-2.6 -2,-0.3 34,-0.1 -0.971 18.0-142.6-130.0 152.5 26.1 -20.9 4.9 67 267 A G S S+ 0 0 0 -2,-0.3 33,-0.1 60,-0.2 62,-0.1 0.555 103.7 38.7 -80.3 -10.6 26.7 -23.4 7.7 68 268 A N S > S- 0 0 20 1,-0.2 3,-2.0 60,-0.1 -1,-0.1 0.596 78.5-175.7-119.6 -16.5 28.0 -20.7 9.9 69 269 A G T 3 S- 0 0 16 1,-0.3 -1,-0.2 60,-0.2 -2,-0.1 -0.296 74.0 -5.9 57.2-124.5 26.0 -17.6 9.3 70 270 A D T 3 S+ 0 0 32 110,-0.1 111,-1.9 -2,-0.1 2,-0.5 0.321 108.4 104.5 -88.9 6.7 27.3 -14.6 11.3 71 271 A V E < -l 181 0E 41 -3,-2.0 2,-0.3 109,-0.2 111,-0.2 -0.828 61.7-148.7 -95.6 126.9 29.9 -16.6 13.2 72 272 A D E +l 182 0E 24 109,-2.8 111,-0.6 -2,-0.5 112,-0.5 -0.718 25.4 173.6 -99.3 137.6 33.4 -16.0 11.9 73 273 A Y > > + 0 0 18 -2,-0.3 3,-2.6 109,-0.1 5,-2.3 0.107 43.7 118.6-129.6 20.4 36.2 -18.6 11.9 74 274 A S G > 5S+ 0 0 55 1,-0.3 3,-1.0 3,-0.2 4,-0.1 0.908 81.7 50.6 -46.1 -46.5 38.8 -16.6 10.0 75 275 A N G 3 5S+ 0 0 71 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.361 108.6 54.4 -81.4 7.8 41.0 -16.9 13.1 76 276 A S G X 5S- 0 0 29 -3,-2.6 3,-1.3 108,-0.0 -1,-0.3 -0.165 127.6 -86.6-131.2 40.8 40.3 -20.6 13.3 77 277 A N T < 5S- 0 0 144 -3,-1.0 -3,-0.2 1,-0.3 -2,-0.1 0.767 72.8 -76.9 63.0 27.7 41.5 -21.8 9.8 78 278 A N T 3 - 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