==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL PROTEIN 11-OCT-10 2XTL . COMPND 2 MOLECULE: CELL WALL SURFACE ANCHOR FAMILY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS AGALACTIAE; . AUTHOR D.RINAUDA,L.J.GOURLAY,M.SORIANO,G.GRANDI,M.BOLOGNESI . 901 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42472.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 593 65.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 37 4.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 286 31.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 14 1.6 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 . 71 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 108 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 1 1 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 1 1 0 0 2 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 . 13 11 4 2 10 10 2 1 0 2 1 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 3 3 2 2 0 0 1 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 1 192 A E 0 0 197 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 51.7 -0.6 -0.0 12.3 2 193 A T + 0 0 105 2,-0.0 42,-0.4 42,-0.0 3,-0.1 0.408 360.0 121.4 -98.0 -2.8 0.5 2.5 14.9 3 194 A K S S- 0 0 125 1,-0.1 2,-0.1 40,-0.1 41,-0.1 -0.148 72.1 -99.6 -63.2 153.2 -3.0 3.0 16.2 4 195 A P - 0 0 3 0, 0.0 2,-0.4 0, 0.0 39,-0.2 -0.420 33.1-133.3 -66.8 150.0 -4.0 2.3 19.8 5 196 A Q E -A 42 0A 49 37,-2.0 37,-2.6 -3,-0.1 2,-0.4 -0.904 26.2-174.2-105.7 136.9 -5.7 -1.0 20.4 6 197 A V E +A 41 0A 0 -2,-0.4 2,-0.3 11,-0.2 35,-0.2 -0.997 9.3 171.1-134.1 135.3 -8.9 -0.9 22.5 7 198 A D E -A 40 0A 0 33,-1.9 33,-2.6 -2,-0.4 2,-0.3 -0.987 8.9-166.9-139.0 154.7 -11.1 -3.6 23.9 8 199 A K E +A 39 0A 0 251,-0.5 2,-0.3 -2,-0.3 31,-0.2 -0.998 21.8 134.9-137.0 140.5 -14.0 -3.8 26.3 9 200 A N E -A 38 0A 6 29,-1.9 29,-2.3 -2,-0.3 6,-0.1 -0.941 59.9 -59.1-159.7-179.1 -15.7 -6.6 28.1 10 201 A F E > -A 37 0A 6 -2,-0.3 3,-2.0 27,-0.2 27,-0.3 -0.420 57.8-109.4 -62.9 152.9 -17.1 -7.6 31.5 11 202 A A T 3 S+ 0 0 46 25,-2.5 26,-0.1 1,-0.3 -1,-0.1 0.767 117.9 55.6 -59.6 -28.8 -14.3 -7.6 34.1 12 203 A D T 3 S+ 0 0 127 24,-0.3 2,-0.5 2,-0.1 -1,-0.3 0.371 95.1 80.5 -87.4 4.0 -14.3 -11.4 34.4 13 204 A K S < S- 0 0 92 -3,-2.0 25,-0.1 25,-0.0 -4,-0.1 -0.949 85.9-116.5-114.1 129.9 -13.7 -11.8 30.6 14 205 A E - 0 0 173 -2,-0.5 2,-0.1 1,-0.1 -4,-0.1 -0.288 29.0-116.6 -64.8 142.7 -10.2 -11.5 29.2 15 206 A L - 0 0 35 -4,-0.1 2,-0.3 -8,-0.1 -1,-0.1 -0.452 23.5-164.9 -73.3 153.1 -9.5 -8.6 26.7 16 207 A D > - 0 0 52 -2,-0.1 3,-0.9 1,-0.1 -8,-0.1 -0.785 10.7-179.6-144.3 94.5 -8.6 -9.5 23.2 17 208 A Y G > S+ 0 0 37 -2,-0.3 3,-0.8 1,-0.2 -11,-0.2 0.841 84.8 56.2 -64.3 -34.7 -7.1 -6.5 21.2 18 209 A A G 3 S+ 0 0 89 1,-0.3 -1,-0.2 2,-0.1 3,-0.1 0.640 119.8 30.5 -73.5 -17.2 -6.6 -8.7 18.1 19 210 A N G X S+ 0 0 92 -3,-0.9 3,-1.3 1,-0.1 -1,-0.3 -0.369 74.8 146.8-135.3 54.0 -10.3 -9.6 18.1 20 211 A N T < + 0 0 30 -3,-0.8 239,-2.9 1,-0.3 -12,-0.3 0.451 69.7 51.1 -78.2 -1.7 -12.0 -6.5 19.6 21 212 A K T 3 S+ 0 0 148 237,-0.3 -1,-0.3 -14,-0.1 239,-0.1 0.138 79.9 129.7-119.2 17.9 -15.2 -6.7 17.6 22 213 A K S < S- 0 0 84 -3,-1.3 2,-0.2 1,-0.1 237,-0.1 -0.317 73.8 -88.5 -67.3 153.2 -16.1 -10.3 18.3 23 214 A D - 0 0 146 1,-0.1 -1,-0.1 236,-0.1 3,-0.1 -0.496 39.4-170.9 -59.1 124.4 -19.6 -11.3 19.5 24 215 A K - 0 0 20 236,-0.4 -1,-0.1 1,-0.2 238,-0.1 0.171 34.8-130.2-109.9 13.5 -19.4 -11.1 23.3 25 216 A G - 0 0 30 236,-0.2 237,-2.9 235,-0.1 2,-0.4 0.115 16.8 -78.0 76.6 178.1 -22.8 -12.7 23.9 26 217 A T E -f 262 0B 73 235,-0.2 2,-0.4 -3,-0.1 237,-0.2 -0.991 39.2-161.7-122.3 127.9 -25.9 -11.9 25.9 27 218 A V E -f 263 0B 48 235,-2.4 237,-2.1 -2,-0.4 2,-0.2 -0.918 16.8-124.8-114.4 141.7 -26.0 -12.6 29.7 28 219 A S E +f 264 0B 12 -2,-0.4 2,-0.3 235,-0.2 237,-0.2 -0.540 36.1 167.2 -78.3 142.8 -29.1 -12.9 31.8 29 220 A A - 0 0 0 235,-2.2 237,-0.4 -2,-0.2 2,-0.4 -0.971 32.6-119.5-149.6 162.5 -29.5 -10.6 34.9 30 221 A S > - 0 0 8 -2,-0.3 3,-2.4 359,-0.2 359,-0.2 -0.835 46.2 -93.1 -99.1 146.9 -32.0 -9.5 37.5 31 222 A V T 3 S+ 0 0 3 357,-2.7 331,-1.2 -2,-0.4 92,-0.2 -0.364 117.6 36.6 -57.3 130.9 -32.9 -5.8 37.8 32 223 A G T 3 S+ 0 0 19 90,-3.4 -1,-0.3 1,-0.4 2,-0.1 0.145 86.9 131.1 104.5 -17.0 -30.6 -4.4 40.5 33 224 A D < - 0 0 68 -3,-2.4 89,-2.7 89,-0.1 2,-0.5 -0.435 52.6-135.1 -67.4 142.4 -27.6 -6.5 39.5 34 225 A V E - B 0 121A 78 87,-0.2 2,-0.5 -2,-0.1 87,-0.2 -0.874 12.6-158.6-101.2 130.3 -24.3 -4.8 39.0 35 226 A K E - B 0 120A 43 85,-2.9 85,-2.3 -2,-0.5 2,-0.4 -0.943 10.3-146.4-107.5 127.1 -22.2 -5.6 35.9 36 227 A K E - B 0 119A 143 -2,-0.5 -25,-2.5 83,-0.2 -24,-0.3 -0.789 18.1-168.6 -96.6 135.4 -18.5 -4.8 36.2 37 228 A Y E -AB 10 118A 2 81,-3.5 81,-1.6 -2,-0.4 2,-0.3 -0.827 13.4-164.4-121.0 155.2 -16.6 -3.7 33.1 38 229 A H E -AB 9 117A 15 -29,-2.3 -29,-1.9 -2,-0.3 2,-0.5 -0.991 2.5-165.5-137.4 140.9 -13.0 -3.1 32.0 39 230 A V E -AB 8 116A 0 77,-2.4 77,-2.7 -2,-0.3 2,-0.4 -0.998 10.9-162.7-122.7 121.7 -11.7 -1.2 29.0 40 231 A G E -AB 7 115A 0 -33,-2.6 -33,-1.9 -2,-0.5 2,-0.4 -0.850 6.9-171.2-105.4 143.5 -8.1 -1.7 27.9 41 232 A T E -AB 6 114A 0 73,-2.8 73,-3.1 -2,-0.4 2,-0.6 -0.968 8.1-157.9-134.8 118.7 -6.1 0.6 25.7 42 233 A K E -AB 5 113A 70 -37,-2.6 -37,-2.0 -2,-0.4 2,-0.5 -0.872 6.6-162.8 -96.5 121.3 -2.7 -0.4 24.4 43 234 A I E - B 0 112A 0 69,-3.2 69,-2.8 -2,-0.6 3,-0.1 -0.925 21.5-126.5-105.9 121.9 -0.5 2.5 23.4 44 235 A L > - 0 0 35 -2,-0.5 3,-1.9 -42,-0.4 67,-0.1 -0.335 35.0 -82.1 -73.8 150.5 2.4 1.5 21.2 45 236 A K T 3 S+ 0 0 135 1,-0.2 63,-0.2 64,-0.1 66,-0.2 -0.164 115.8 23.0 -45.1 133.4 6.0 2.4 21.9 46 237 A G T 3 S+ 0 0 58 61,-2.4 -1,-0.2 64,-0.3 62,-0.1 0.371 83.6 149.4 87.8 -2.7 6.9 5.9 20.7 47 238 A S < - 0 0 17 -3,-1.9 -1,-0.3 60,-0.2 60,-0.1 -0.365 24.1-178.3 -65.2 140.4 3.3 7.3 20.7 48 239 A D + 0 0 86 -2,-0.1 -1,-0.1 59,-0.0 53,-0.0 -0.315 14.9 171.9-134.4 49.2 2.9 11.0 21.4 49 240 A Y - 0 0 19 1,-0.1 93,-0.3 51,-0.1 55,-0.2 -0.331 21.5-168.0 -64.6 140.0 -0.8 11.4 21.3 50 241 A K S S+ 0 0 74 91,-2.1 95,-0.5 1,-0.2 2,-0.3 0.252 76.5 47.6-110.7 7.0 -2.1 14.9 22.5 51 242 A K E +H 141 0C 31 90,-1.4 90,-1.6 93,-0.1 2,-0.3 -0.930 54.6 163.7-149.0 124.2 -5.7 13.7 22.7 52 243 A L E +H 140 0C 1 -2,-0.3 43,-2.4 43,-0.3 2,-0.4 -0.900 13.7 166.9-141.1 111.1 -7.1 10.6 24.3 53 244 A I E -HI 139 94C 5 86,-2.9 86,-3.2 -2,-0.3 2,-0.5 -0.979 17.6-164.6-135.3 118.7 -10.8 10.5 25.0 54 245 A W E -HI 138 93C 1 39,-2.5 39,-3.1 -2,-0.4 2,-0.5 -0.907 8.4-174.2-104.3 127.9 -13.0 7.5 26.0 55 246 A T E -HI 137 92C 6 82,-2.3 82,-1.5 -2,-0.5 2,-0.5 -0.987 4.2-170.9-121.2 124.1 -16.8 7.9 25.7 56 247 A D E -HI 136 91C 0 35,-2.0 35,-1.7 -2,-0.5 2,-0.6 -0.977 2.7-170.5-114.1 120.2 -19.2 5.2 26.9 57 248 A S E - I 0 90C 26 78,-2.7 2,-0.3 -2,-0.5 33,-0.2 -0.953 11.6-165.8-111.4 117.8 -22.8 5.6 25.9 58 249 A M - 0 0 14 31,-3.2 76,-0.2 -2,-0.6 6,-0.1 -0.675 22.5-104.3-105.9 154.4 -25.2 3.2 27.6 59 250 A T > - 0 0 44 74,-2.0 3,-2.1 -2,-0.3 -1,-0.1 -0.303 42.7-100.3 -68.6 162.9 -28.8 2.2 27.1 60 251 A K T 3 S+ 0 0 146 1,-0.3 65,-0.2 65,-0.1 66,-0.1 0.733 117.9 61.2 -63.2 -29.1 -31.5 3.5 29.4 61 252 A G T 3 S+ 0 0 0 64,-0.2 62,-2.8 63,-0.1 2,-0.5 0.385 92.5 78.0 -82.0 2.8 -31.7 0.3 31.5 62 253 A L E < -C 122 0A 0 -3,-2.1 2,-0.7 60,-0.2 60,-0.2 -0.970 66.2-158.2-112.7 123.6 -28.1 0.7 32.6 63 254 A T E -C 121 0A 5 58,-2.9 58,-2.5 -2,-0.5 26,-0.2 -0.894 20.5-131.5 -96.8 114.6 -27.2 3.2 35.3 64 255 A F E -C 120 0A 6 24,-2.6 56,-0.2 -2,-0.7 26,-0.1 -0.494 12.8-146.9 -63.0 129.5 -23.5 4.1 35.1 65 256 A N - 0 0 49 54,-2.5 -1,-0.1 -2,-0.2 55,-0.1 0.407 21.6-129.9 -88.3 3.4 -22.2 3.8 38.7 66 257 A N + 0 0 105 53,-0.3 54,-0.1 21,-0.2 52,-0.1 0.901 68.0 127.2 52.8 49.8 -19.7 6.6 38.5 67 258 A D + 0 0 71 52,-0.3 -1,-0.1 2,-0.1 50,-0.1 -0.124 29.8 162.2-130.2 34.6 -16.9 4.4 39.9 68 259 A I - 0 0 23 50,-0.1 2,-0.4 48,-0.1 50,-0.2 -0.307 12.7-179.2 -59.8 133.1 -14.2 4.8 37.3 69 260 A A E -D 117 0A 47 48,-1.9 48,-2.7 9,-0.0 2,-0.4 -0.990 9.6-158.1-128.9 139.9 -10.6 3.9 38.3 70 261 A V E -D 116 0A 3 7,-0.5 7,-2.7 -2,-0.4 2,-0.3 -0.936 7.6-172.7-120.2 137.5 -7.8 4.2 35.8 71 262 A T E -DE 115 76A 34 44,-2.5 44,-2.1 -2,-0.4 2,-0.5 -0.953 13.9-153.3-125.8 151.7 -4.4 2.5 35.8 72 263 A L E > S-DE 114 75A 23 3,-2.8 3,-1.8 -2,-0.3 42,-0.2 -0.987 88.1 -19.0-123.1 115.8 -1.3 3.0 33.6 73 264 A D T 3 S- 0 0 60 40,-3.2 41,-0.1 -2,-0.5 -1,-0.1 0.882 130.5 -52.7 45.5 44.0 0.8 -0.2 33.3 74 265 A G T 3 S+ 0 0 62 39,-0.4 2,-0.3 1,-0.2 -1,-0.3 0.128 116.2 108.3 90.6 -19.0 -1.0 -1.5 36.4 75 266 A A E < S-E 72 0A 61 -3,-1.8 -3,-2.8 1,-0.1 -1,-0.2 -0.710 79.5 -95.2 -95.9 142.9 -0.4 1.4 38.7 76 267 A T E -E 71 0A 119 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.3 -0.239 29.2-158.2 -57.3 135.6 -3.1 3.8 39.7 77 268 A L - 0 0 16 -7,-2.7 -7,-0.5 -3,-0.0 -1,-0.1 -0.979 22.9-142.9-113.9 111.2 -3.4 7.0 37.6 78 269 A D > - 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