==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELL ADHESION 25-MAR-10 2X9W . COMPND 2 MOLECULE: CELL WALL SURFACE ANCHOR FAMILY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR G.SPRAGGON,E.KOESEMA,M.SCARSELLI,E.MALITO,M.BIAGINI,N.NORAIS . 442 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20446.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 277 62.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 3.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 125 28.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 . 38 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 46 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 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 PARALLEL BRIDGES PER LADDER . 8 3 1 4 4 3 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 2 2 1 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 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 1 186 A E 0 0 218 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 115.6 42.2 63.3 28.4 2 187 A A - 0 0 74 43,-0.2 0, 0.0 1,-0.1 0, 0.0 -0.538 360.0-133.9 -70.8 141.4 42.9 59.7 27.7 3 188 A K - 0 0 144 -2,-0.2 2,-0.1 40,-0.1 -1,-0.1 -0.683 13.6-113.5 -97.3 151.0 45.0 58.1 30.4 4 189 A P - 0 0 5 0, 0.0 2,-0.3 0, 0.0 39,-0.2 -0.425 31.7-145.3 -74.3 164.0 48.0 55.9 30.0 5 190 A K E -A 42 0A 90 37,-1.9 37,-3.5 -2,-0.1 2,-0.3 -0.960 16.2-174.4-131.1 148.9 47.6 52.2 31.1 6 191 A I E +A 41 0A 19 -2,-0.3 2,-0.3 35,-0.2 35,-0.2 -0.958 10.9 178.7-141.1 153.7 50.1 49.8 32.6 7 192 A D E -A 40 0A 1 33,-1.9 33,-2.5 -2,-0.3 2,-0.4 -0.969 9.9-159.0-148.1 155.2 50.6 46.2 33.7 8 193 A K E +A 39 0A 0 247,-0.5 2,-0.3 -2,-0.3 31,-0.2 -0.999 31.0 130.5-129.5 131.7 53.5 44.2 35.2 9 194 A D E -A 38 0A 0 29,-2.2 29,-2.5 -2,-0.4 5,-0.2 -0.927 57.6 -56.9-156.9-176.7 53.8 40.5 35.0 10 195 A F E > S-A 37 0A 14 -2,-0.3 3,-2.5 27,-0.2 4,-0.5 -0.316 84.6 -59.2 -61.9 160.0 56.1 37.6 34.2 11 196 A K T 3 S+ 0 0 144 25,-2.2 -1,-0.2 1,-0.3 27,-0.1 -0.103 124.6 4.7 -47.0 127.9 57.6 37.5 30.7 12 197 A G T 3 S+ 0 0 65 -3,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.432 113.0 85.5 78.5 0.8 54.9 37.4 28.1 13 198 A K < + 0 0 116 -3,-2.5 7,-0.3 25,-0.0 -2,-0.2 0.519 53.1 114.6-113.6 -6.3 52.0 37.7 30.5 14 199 A A + 0 0 17 -4,-0.5 25,-0.1 -5,-0.2 -5,-0.1 -0.428 33.2 169.8 -69.8 139.6 51.6 41.5 31.0 15 200 A N - 0 0 66 -2,-0.1 -7,-0.1 25,-0.1 -9,-0.1 -0.721 21.3-168.6-155.1 100.0 48.4 43.0 29.7 16 201 A P S S+ 0 0 11 0, 0.0 -10,-0.2 0, 0.0 -1,-0.1 0.806 92.2 48.9 -62.9 -30.3 47.3 46.5 30.5 17 202 A D S S+ 0 0 104 1,-0.2 -2,-0.0 -12,-0.1 -11,-0.0 0.895 129.4 16.6 -75.4 -40.7 43.8 46.0 29.1 18 203 A T S S- 0 0 102 -3,-0.1 -1,-0.2 -11,-0.0 3,-0.1 -0.612 79.2-166.8-136.6 76.1 43.2 42.8 31.0 19 204 A P - 0 0 52 0, 0.0 -5,-0.1 0, 0.0 -10,-0.0 -0.316 36.0 -95.7 -62.4 143.6 45.6 42.2 33.9 20 205 A R - 0 0 60 -7,-0.3 3,-0.5 1,-0.1 235,-0.1 -0.332 29.0-155.1 -51.9 131.3 45.7 38.7 35.5 21 206 A V S S+ 0 0 149 1,-0.2 3,-0.3 -3,-0.1 -1,-0.1 0.623 86.1 61.8 -92.2 -8.7 43.5 38.7 38.6 22 207 A D > + 0 0 88 1,-0.2 3,-1.5 2,-0.1 -1,-0.2 -0.053 62.5 121.3-102.8 32.9 45.3 35.8 40.3 23 208 A K T 3 + 0 0 4 -3,-0.5 235,-0.4 1,-0.3 -1,-0.2 0.764 63.1 69.6 -66.2 -26.0 48.7 37.6 40.7 24 209 A D T 3 S+ 0 0 102 -3,-0.3 -1,-0.3 233,-0.1 -2,-0.1 0.615 77.0 93.5 -70.6 -9.1 48.6 37.3 44.4 25 210 A T S < S- 0 0 92 -3,-1.5 233,-0.3 1,-0.0 -3,-0.0 -0.758 81.3-134.9 -79.8 107.5 49.1 33.5 43.9 26 211 A P - 0 0 40 0, 0.0 2,-0.5 0, 0.0 233,-0.3 -0.338 8.1-129.3 -64.0 143.5 53.0 33.1 44.1 27 212 A V E -f 259 0B 55 231,-2.8 233,-1.8 -2,-0.0 2,-0.3 -0.827 27.0-115.4 -90.8 129.2 54.8 31.0 41.6 28 213 A N E +f 260 0B 34 -2,-0.5 2,-0.3 231,-0.2 233,-0.2 -0.466 45.4 163.7 -64.1 120.0 57.2 28.4 43.1 29 214 A H - 0 0 43 231,-2.5 2,-0.3 -2,-0.3 233,-0.2 -0.905 29.7-127.9-129.0 166.3 60.8 29.1 42.2 30 215 A Q > - 0 0 45 -2,-0.3 3,-2.1 231,-0.1 91,-0.2 -0.732 41.7 -82.0-109.4 160.6 64.0 27.8 43.7 31 216 A V T 3 S+ 0 0 9 351,-2.2 325,-0.5 -2,-0.3 91,-0.2 -0.404 119.4 32.9 -59.0 133.3 67.0 29.8 44.8 32 217 A G T 3 S+ 0 0 10 89,-2.9 -1,-0.2 1,-0.4 2,-0.1 0.198 82.0 136.0 102.9 -16.7 69.0 30.7 41.7 33 218 A D < - 0 0 36 -3,-2.1 88,-2.4 88,-0.1 2,-0.7 -0.409 52.6-135.7 -63.7 136.2 66.1 30.9 39.3 34 219 A V E - B 0 120A 76 86,-0.2 2,-0.6 -2,-0.1 86,-0.2 -0.858 21.5-156.0 -91.8 117.1 66.4 33.9 37.0 35 220 A V E - B 0 119A 4 84,-3.3 84,-1.9 -2,-0.7 2,-0.5 -0.859 1.5-149.7-102.5 126.6 62.9 35.4 36.9 36 221 A E E - B 0 118A 95 -2,-0.6 -25,-2.2 82,-0.2 2,-0.2 -0.804 15.1-169.5-100.2 130.4 62.0 37.5 33.8 37 222 A Y E -AB 10 117A 1 80,-2.6 80,-1.4 -2,-0.5 2,-0.4 -0.739 8.9-157.3-116.2 163.3 59.6 40.3 34.2 38 223 A E E -AB 9 116A 18 -29,-2.5 -29,-2.2 -2,-0.2 2,-0.5 -0.998 3.2-167.1-144.2 127.5 57.7 42.6 31.7 39 224 A I E -AB 8 115A 0 76,-2.9 76,-2.7 -2,-0.4 2,-0.5 -0.986 12.3-170.3-115.9 119.8 56.3 46.0 32.2 40 225 A V E -AB 7 114A 11 -33,-2.5 -33,-1.9 -2,-0.5 2,-0.4 -0.956 3.5-175.9-114.2 126.5 54.0 47.2 29.5 41 226 A T E -AB 6 113A 0 72,-2.8 72,-3.1 -2,-0.5 2,-0.5 -0.977 12.3-153.4-121.8 133.6 52.7 50.7 29.3 42 227 A K E -AB 5 112A 53 -37,-3.5 -37,-1.9 -2,-0.4 70,-0.2 -0.917 9.9-164.0-106.5 122.7 50.2 52.1 26.8 43 228 A I E - B 0 111A 0 68,-2.9 68,-2.7 -2,-0.5 3,-0.1 -0.916 21.2-120.4-110.1 128.6 50.4 55.8 26.0 44 229 A P > - 0 0 9 0, 0.0 3,-0.9 0, 0.0 63,-0.3 -0.183 36.0 -88.6 -67.2 154.0 47.5 57.6 24.3 45 230 A A T 3 S+ 0 0 42 1,-0.2 63,-0.2 63,-0.2 -43,-0.2 -0.296 110.1 24.7 -51.6 145.0 47.8 59.4 20.9 46 231 A L T 3 S+ 0 0 112 61,-2.4 -1,-0.2 63,-0.2 59,-0.1 0.722 80.9 166.1 68.4 27.0 48.8 63.1 21.2 47 232 A A < - 0 0 8 -3,-0.9 59,-3.0 57,-0.4 -1,-0.2 -0.355 22.3-169.9 -63.4 153.1 50.5 62.9 24.5 48 233 A N + 0 0 115 57,-0.2 2,-0.2 58,-0.1 -1,-0.1 -0.397 20.1 170.5-141.3 58.0 52.7 65.8 25.6 49 234 A Y - 0 0 17 52,-0.2 92,-0.3 1,-0.1 3,-0.1 -0.527 29.7-164.8 -78.9 136.7 54.5 64.6 28.7 50 235 A A S S+ 0 0 37 90,-2.7 2,-0.4 92,-0.3 91,-0.2 0.708 85.3 26.5 -81.3 -26.5 57.4 66.5 30.3 51 236 A T E +H 140 0C 17 89,-1.5 89,-1.2 91,-0.3 2,-0.3 -0.998 54.4 174.4-139.5 135.4 58.3 63.4 32.2 52 237 A A E +H 139 0C 0 -2,-0.4 44,-2.2 44,-0.3 2,-0.4 -0.776 26.4 161.7-138.1 100.5 57.8 59.6 31.6 53 238 A N E -HI 138 95C 21 85,-2.5 85,-2.8 -2,-0.3 2,-0.4 -0.941 26.5-158.7-125.4 139.1 59.6 57.7 34.3 54 239 A W E -HI 137 94C 1 40,-2.8 40,-3.0 -2,-0.4 2,-0.4 -0.960 9.1-170.5-114.6 137.0 59.4 54.1 35.5 55 240 A S E +HI 136 93C 2 81,-2.1 81,-2.1 -2,-0.4 2,-0.4 -0.992 6.5 179.8-130.3 127.5 60.6 53.2 39.0 56 241 A D E +HI 135 92C 0 36,-2.7 36,-1.8 -2,-0.4 2,-0.3 -0.995 5.4 167.6-134.8 131.7 60.9 49.6 40.1 57 242 A R E -HI 134 91C 20 77,-1.7 77,-2.1 -2,-0.4 2,-0.3 -0.977 13.2-159.5-140.8 154.2 62.1 48.1 43.4 58 243 A X E -H 133 0C 1 32,-2.1 75,-0.2 -2,-0.3 6,-0.1 -0.908 27.6 -89.1-134.9 162.9 61.8 44.7 44.9 59 244 A T > - 0 0 2 73,-2.4 3,-1.9 -2,-0.3 72,-0.1 -0.238 51.6 -99.5 -66.2 160.1 61.9 42.8 48.2 60 245 A E T 3 S+ 0 0 63 1,-0.3 64,-0.2 64,-0.1 65,-0.1 0.647 114.8 67.5 -66.7 -19.7 65.4 41.6 49.4 61 246 A G T 3 S+ 0 0 0 63,-0.2 61,-3.1 69,-0.1 2,-0.5 0.442 92.6 70.3 -77.8 -1.8 65.1 38.0 48.2 62 247 A L E < S-C 121 0A 4 -3,-1.9 2,-0.7 59,-0.2 59,-0.2 -0.982 71.2-156.5-113.7 122.4 65.2 39.1 44.6 63 248 A A E -C 120 0A 36 57,-2.8 57,-2.8 -2,-0.5 27,-0.1 -0.880 20.4-128.2 -99.3 115.5 68.4 40.5 43.2 64 249 A F E -C 119 0A 12 25,-1.2 2,-1.0 -2,-0.7 55,-0.3 -0.407 20.4-129.3 -57.9 129.9 67.9 42.7 40.2 65 250 A N > - 0 0 36 53,-2.3 3,-1.4 -2,-0.1 53,-0.4 -0.744 24.4-139.0 -86.1 100.0 70.2 41.5 37.4 66 251 A K T 3 S+ 0 0 128 -2,-1.0 26,-0.0 1,-0.2 23,-0.0 -0.210 83.6 29.5 -57.7 145.1 72.1 44.7 36.2 67 252 A G T 3 S+ 0 0 68 1,-0.0 -1,-0.2 50,-0.0 -2,-0.0 0.472 92.9 98.4 85.8 1.3 72.5 45.1 32.5 68 253 A T < + 0 0 48 -3,-1.4 2,-0.3 50,-0.2 -2,-0.1 0.435 47.7 115.4 -99.2 -0.1 69.3 43.2 31.7 69 254 A V + 0 0 19 48,-0.1 2,-0.4 -4,-0.1 48,-0.2 -0.534 37.3 175.8 -74.2 124.9 66.9 46.1 31.1 70 255 A K E -D 116 0A 118 46,-2.4 46,-2.3 -2,-0.3 2,-0.4 -0.998 7.6-168.3-125.1 138.9 65.6 46.4 27.6 71 256 A V E +D 115 0A 3 -2,-0.4 7,-2.4 44,-0.2 2,-0.3 -0.989 7.2 176.5-131.9 131.2 63.1 49.0 26.5 72 257 A T E -DE 114 77A 12 42,-2.4 42,-2.5 -2,-0.4 2,-0.4 -0.931 20.3-150.9-128.8 154.8 61.2 49.2 23.3 73 258 A V E > S-DE 113 76A 10 3,-2.5 3,-1.7 -2,-0.3 40,-0.2 -0.997 91.1 -11.9-126.1 121.9 58.5 51.5 21.9 74 259 A D T 3 S- 0 0 71 38,-2.8 -1,-0.1 -2,-0.4 39,-0.1 0.864 132.8 -55.5 49.2 41.0 56.2 49.7 19.3 75 260 A D T 3 S+ 0 0 138 37,-0.5 2,-0.6 1,-0.2 -1,-0.3 0.647 113.9 121.6 67.4 17.2 58.7 46.9 19.4 76 261 A V E < -E 73 0A 94 -3,-1.7 -3,-2.5 0, 0.0 -1,-0.2 -0.953 66.1-120.9-109.3 120.3 61.6 49.2 18.5 77 262 A A E -E 72 0A 49 -2,-0.6 -5,-0.3 -5,-0.3 2,-0.1 -0.250 27.1-122.0 -51.4 135.0 64.5 49.4 20.9 78 263 A L - 0 0 17 -7,-2.4 2,-0.2 1,-0.1 -7,-0.2 -0.426 27.5-114.0 -69.6 155.3 65.2 52.8 22.3 79 264 A E > - 0 0 119 -2,-0.1 3,-2.7 1,-0.1 4,-0.4 -0.578 28.5-104.7 -87.2 159.4 68.7 54.3 21.7 80 265 A A G > S+ 0 0 90 1,-0.3 3,-1.1 -2,-0.2 -1,-0.1 0.857 121.4 54.1 -54.4 -38.3 71.1 55.0 24.6 81 266 A G G 3 S+ 0 0 54 1,-0.2 18,-0.4 18,-0.1 19,-0.3 0.530 93.7 74.0 -73.7 -6.0 70.4 58.7 24.3 82 267 A D G < S+ 0 0 11 -3,-2.7 15,-1.9 17,-0.2 18,-0.3 0.574 105.5 16.2 -85.6 -12.2 66.6 58.2 24.7 83 268 A Y E < -J 96 0C 51 -3,-1.1 2,-0.5 -4,-0.4 13,-0.2 -0.992 62.9-131.9-156.1 154.3 66.6 57.3 28.4 84 269 A A E -J 95 0C 50 11,-3.0 11,-2.5 -2,-0.3 2,-0.5 -0.971 25.5-164.0-110.1 126.1 68.7 57.5 31.5 85 270 A L E -J 94 0C 55 -2,-0.5 2,-0.5 9,-0.2 9,-0.2 -0.940 7.2-172.5-112.7 127.3 68.8 54.3 33.5 86 271 A T E -J 93 0C 69 7,-2.6 7,-2.4 -2,-0.5 2,-0.4 -0.988 9.6-161.4-118.5 128.1 70.0 54.1 37.1 87 272 A E E +J 92 0C 61 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 -0.881 11.9 174.0-112.7 131.0 70.5 50.6 38.7 88 273 A V E > -J 91 0C 55 3,-3.3 3,-1.4 -2,-0.4 -24,-0.1 -0.776 48.9 -93.8-127.5 176.5 70.6 49.9 42.4 89 274 A A T 3 S+ 0 0 80 1,-0.3 -25,-1.2 -2,-0.3 3,-0.1 0.868 124.2 40.0 -61.9 -34.3 70.7 46.6 44.3 90 275 A T T 3 S- 0 0 59 -27,-0.1 -32,-2.1 1,-0.1 2,-0.3 0.253 128.1 -58.1-100.0 10.8 67.0 46.5 44.7 91 276 A G E < -IJ 57 88C 0 -3,-1.4 -3,-3.3 -34,-0.2 2,-0.3 -1.000 56.8 -88.4 150.8-149.7 65.9 47.7 41.3 92 277 A F E -IJ 56 87C 0 -36,-1.8 -36,-2.7 -2,-0.3 2,-0.4 -0.977 9.6-134.2-159.6 163.8 66.1 50.6 38.8 93 278 A D E -IJ 55 86C 17 -7,-2.4 -7,-2.6 -2,-0.3 2,-0.5 -1.000 17.9-167.5-128.7 130.9 64.8 53.9 37.6 94 279 A L E -IJ 54 85C 0 -40,-3.0 -40,-2.8 -2,-0.4 2,-0.5 -0.971 8.5-177.3-123.9 116.9 64.3 54.5 33.8 95 280 A K E -IJ 53 84C 95 -11,-2.5 -11,-3.0 -2,-0.5 -42,-0.2 -0.955 23.6-128.2-123.3 125.5 63.6 58.0 32.7 96 281 A L E - 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