==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CHOLINE-BINDING DOMAIN 15-MAR-05 2BML . COMPND 2 MOLECULE: AUTOLYSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR C.FERNANDEZ-TORNERO,G.GIMENEZ-GALLEGO,A.ROMERO,E.GARCIA, . 251 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15641.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 142 56.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 87 34.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 12 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 2.4 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 . 24 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 PARALLEL BRIDGES PER LADDER . 13 0 2 7 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 7 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 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 1 194 A Y 0 0 283 0, 0.0 19,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -58.0 -5.0 4.6 9.1 2 195 A P - 0 0 21 0, 0.0 2,-0.2 0, 0.0 5,-0.1 -0.045 360.0-177.5 -70.3 177.0 -1.7 5.9 7.5 3 196 A K - 0 0 117 3,-0.1 15,-0.2 13,-0.1 14,-0.2 -0.594 57.8 -9.3 177.2 117.8 1.6 4.1 7.3 4 197 A D S S+ 0 0 78 13,-1.9 2,-0.3 12,-1.5 13,-0.2 0.946 109.5 72.6 57.2 57.0 5.1 4.9 5.9 5 198 A K E S-A 16 0A 90 11,-1.2 11,-1.8 12,-0.1 2,-0.2 -0.967 90.0 -75.3 179.1 165.3 4.2 8.1 4.1 6 199 A F E -A 15 0A 37 -2,-0.3 2,-0.4 9,-0.2 9,-0.3 -0.559 47.7-165.9 -74.9 141.3 3.2 11.8 4.4 7 200 A E E -A 14 0A 45 7,-3.1 7,-2.8 -2,-0.2 2,-0.7 -0.994 15.0-143.9-135.8 128.9 -0.4 12.1 5.5 8 201 A K E -A 13 0A 111 -2,-0.4 2,-0.5 5,-0.3 5,-0.3 -0.824 21.8-176.9 -94.4 115.1 -2.5 15.2 5.4 9 202 A I E > -A 12 0A 75 3,-4.0 3,-2.3 -2,-0.7 -2,-0.0 -0.958 67.1 -21.0-115.9 124.4 -4.8 15.5 8.4 10 203 A N T 3 S- 0 0 152 -2,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.907 130.0 -46.0 45.9 52.6 -7.3 18.3 8.7 11 204 A G T 3 S+ 0 0 58 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.409 123.7 98.8 75.7 -3.8 -5.4 20.5 6.3 12 205 A T E < -A 9 0A 30 -3,-2.3 -3,-4.0 31,-0.0 2,-0.3 -0.900 68.0-127.0-118.7 147.2 -2.0 19.8 8.0 13 206 A W E +A 8 0A 111 -2,-0.3 31,-1.9 -5,-0.3 2,-0.3 -0.703 29.1 168.4 -95.5 143.8 0.7 17.3 7.0 14 207 A Y E -A 7 0A 36 -7,-2.8 -7,-3.1 -2,-0.3 2,-0.4 -0.828 24.9-130.1-138.3 174.3 2.2 14.6 9.2 15 208 A Y E -A 6 0A 5 8,-0.3 8,-2.4 27,-0.3 2,-0.6 -0.999 9.2-161.7-134.3 137.3 4.4 11.6 8.6 16 209 A F E -AB 5 22A 18 -11,-1.8 -12,-1.5 -2,-0.4 -11,-1.2 -0.951 23.2-131.9-120.6 110.2 3.9 8.1 9.8 17 210 A D > - 0 0 45 4,-2.1 2,-3.3 -2,-0.6 3,-2.0 0.070 47.3 -76.9 -49.4 171.2 7.1 5.9 9.8 18 211 A S T 3 S+ 0 0 71 1,-0.3 -1,-0.2 -15,-0.2 -15,-0.0 -0.190 130.3 55.8 -71.0 52.8 6.8 2.5 8.3 19 212 A S T 3 S- 0 0 60 -2,-3.3 -1,-0.3 2,-0.1 -2,-0.1 0.273 118.7 -95.6-160.9 1.2 5.0 1.2 11.4 20 213 A G S < S+ 0 0 32 -3,-2.0 2,-0.6 1,-0.2 -2,-0.1 0.458 82.6 124.1 91.9 1.0 2.0 3.6 11.8 21 214 A Y - 0 0 175 -4,-0.2 -4,-2.1 1,-0.0 -1,-0.2 -0.853 57.0-131.2-102.8 125.2 3.5 6.0 14.3 22 215 A M B -B 16 0A 83 -2,-0.6 -6,-0.3 -6,-0.3 2,-0.3 -0.488 24.8-115.2 -73.7 138.0 3.6 9.7 13.4 23 216 A L - 0 0 9 -8,-2.4 2,-0.4 -2,-0.2 -8,-0.3 -0.537 35.0-179.7 -74.3 133.4 6.8 11.5 13.9 24 217 A A S S- 0 0 47 -2,-0.3 16,-0.3 1,-0.2 15,-0.2 -0.998 71.5 -3.4-134.9 133.4 6.8 14.3 16.5 25 218 A D S S+ 0 0 94 14,-1.1 2,-0.3 13,-0.8 14,-0.2 0.937 108.0 124.5 47.4 55.7 9.9 16.4 17.3 26 219 A R E -C 38 0B 145 12,-1.2 12,-0.9 13,-0.1 -1,-0.2 -0.970 55.6-141.1-151.3 128.8 11.8 14.3 14.8 27 220 A W E -C 37 0B 80 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.420 21.4-169.2 -79.7 162.4 13.9 14.9 11.6 28 221 A R E -C 36 0B 60 8,-1.6 8,-2.0 -2,-0.1 2,-1.2 -0.892 24.7-140.2-158.3 125.2 13.6 12.5 8.7 29 222 A K E -C 35 0B 111 -2,-0.3 6,-0.2 6,-0.2 4,-0.1 -0.731 37.5-144.9 -83.9 98.1 15.6 12.1 5.5 30 223 A H > - 0 0 36 4,-1.7 3,-1.7 -2,-1.2 -1,-0.0 -0.049 25.9 -99.2 -60.7 168.3 12.8 11.4 3.1 31 224 A T T 3 S+ 0 0 124 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.484 120.0 65.5 -67.1 -2.7 13.1 9.0 0.2 32 225 A D T 3 S- 0 0 70 2,-0.2 -1,-0.3 0, 0.0 3,-0.1 0.252 115.2-108.4-105.4 8.9 13.7 12.1 -2.0 33 226 A G S < S+ 0 0 43 -3,-1.7 2,-0.2 1,-0.3 -2,-0.1 0.426 84.0 115.8 80.4 -3.4 17.0 13.2 -0.5 34 227 A N - 0 0 67 29,-0.0 -4,-1.7 -5,-0.0 2,-0.5 -0.628 63.4-122.6 -97.7 158.5 15.4 16.2 1.3 35 228 A W E -C 29 0B 103 29,-0.3 29,-2.7 -2,-0.2 2,-0.3 -0.877 26.2-175.2-107.1 133.1 15.1 16.8 5.0 36 229 A Y E -C 28 0B 14 -8,-2.0 -8,-1.6 -2,-0.5 2,-0.4 -0.830 7.3-156.4-120.1 157.0 11.8 17.3 6.8 37 230 A W E -C 27 0B 21 25,-0.4 8,-3.5 -2,-0.3 2,-0.4 -0.989 1.4-157.4-134.9 146.7 11.0 18.1 10.4 38 231 A F E -CD 26 44B 0 -12,-0.9 -12,-1.2 -2,-0.4 -13,-0.8 -0.984 15.6-138.5-125.8 129.0 7.9 17.6 12.5 39 232 A D > - 0 0 39 4,-2.3 3,-2.5 -2,-0.4 -14,-1.1 -0.034 44.0 -76.1 -73.4-175.9 7.1 19.6 15.6 40 233 A N T 3 S+ 0 0 134 1,-0.3 -1,-0.1 -16,-0.3 -16,-0.0 0.675 132.7 50.8 -53.6 -24.2 5.7 18.3 18.9 41 234 A S T 3 S- 0 0 63 2,-0.1 -1,-0.3 -17,-0.0 -17,-0.1 0.368 120.3-106.7 -97.5 2.8 2.3 18.0 17.4 42 235 A G < + 0 0 0 -3,-2.5 -27,-0.3 1,-0.3 -19,-0.2 0.254 69.7 149.1 91.2 -11.7 3.5 16.0 14.4 43 236 A E - 0 0 82 -5,-0.1 -4,-2.3 -29,-0.1 -1,-0.3 -0.268 52.0-112.7 -60.7 137.1 3.0 19.0 12.0 44 237 A M B -D 38 0B 18 -31,-1.9 -6,-0.2 -6,-0.2 -31,-0.2 -0.523 36.6-110.9 -71.4 131.7 5.4 19.2 9.1 45 238 A A + 0 0 3 -8,-3.5 2,-0.3 -2,-0.3 -8,-0.2 -0.319 39.4 175.7 -65.9 146.1 7.8 22.1 9.3 46 239 A T - 0 0 52 2,-0.1 13,-0.2 15,-0.1 14,-0.1 -0.968 48.6 -2.8-152.0 130.1 7.3 25.0 6.8 47 240 A G E S-E 58 0C 17 11,-2.2 11,-1.7 -2,-0.3 2,-0.3 -0.281 114.3 -12.5 81.5-171.6 9.2 28.3 6.7 48 241 A W E S+E 57 0C 45 9,-0.2 2,-0.4 7,-0.1 9,-0.2 -0.495 72.5 174.3 -66.1 126.9 11.8 29.5 9.1 49 242 A K E -E 56 0C 71 7,-2.1 7,-2.4 -2,-0.3 2,-0.6 -0.998 27.8-138.2-138.4 137.5 11.8 27.2 12.2 50 243 A K E +E 55 0C 116 -2,-0.4 2,-0.5 5,-0.2 5,-0.2 -0.869 25.4 177.5 -99.6 118.5 14.1 27.1 15.2 51 244 A I - 0 0 14 3,-2.6 3,-0.4 -2,-0.6 -2,-0.0 -0.898 67.8 -16.9-127.9 102.4 15.0 23.6 16.2 52 245 A A S S- 0 0 78 -2,-0.5 -1,-0.1 1,-0.2 3,-0.1 0.914 126.2 -51.5 72.2 44.9 17.4 23.0 19.1 53 246 A D S S+ 0 0 141 1,-0.2 2,-0.4 -3,-0.1 -1,-0.2 0.431 120.1 102.5 75.6 -1.7 18.9 26.6 19.2 54 247 A K - 0 0 114 -3,-0.4 -3,-2.6 30,-0.0 2,-0.3 -0.918 67.6-131.2-115.4 141.2 19.6 26.5 15.4 55 248 A W E +E 50 0C 112 -2,-0.4 30,-3.0 -5,-0.2 2,-0.3 -0.722 26.9 178.6 -93.7 142.1 17.5 28.2 12.8 56 249 A Y E -E 49 0C 23 -7,-2.4 -7,-2.1 -2,-0.3 2,-0.4 -0.857 19.1-139.7-132.7 167.3 16.4 26.3 9.6 57 250 A Y E -E 48 0C 39 8,-0.4 8,-3.1 26,-0.3 2,-0.4 -0.955 14.8-174.1-139.1 118.6 14.3 27.2 6.6 58 251 A F E -EF 47 64C 1 -11,-1.7 -11,-2.2 -2,-0.4 6,-0.2 -0.860 20.2-131.1-109.9 142.1 11.8 24.9 5.0 59 252 A N > - 0 0 27 4,-2.3 3,-2.2 -2,-0.4 -12,-0.3 -0.201 43.8 -83.8 -79.5-178.8 10.0 25.6 1.7 60 253 A E T 3 S+ 0 0 157 1,-0.3 -1,-0.1 -14,-0.1 -2,-0.0 0.584 130.1 58.0 -65.4 -9.9 6.2 25.3 1.4 61 254 A E T 3 S- 0 0 151 2,-0.2 -1,-0.3 0, 0.0 3,-0.1 0.384 118.7-110.4 -97.5 -0.2 6.6 21.6 0.6 62 255 A G S < S+ 0 0 0 -3,-2.2 2,-0.5 1,-0.3 -25,-0.4 0.535 71.7 140.7 84.0 6.4 8.4 21.1 4.0 63 256 A A - 0 0 4 -27,-0.1 -4,-2.3 1,-0.1 -1,-0.3 -0.725 55.1-117.3 -88.1 129.0 11.8 20.4 2.4 64 257 A M B -F 58 0C 22 -29,-2.7 -29,-0.3 -2,-0.5 2,-0.3 -0.351 27.1-139.2 -62.9 138.1 14.8 21.9 4.2 65 258 A K - 0 0 89 -8,-3.1 -8,-0.4 18,-0.1 2,-0.3 -0.693 17.4-170.1-100.1 152.9 16.8 24.5 2.3 66 259 A T + 0 0 65 -2,-0.3 14,-0.2 2,-0.2 13,-0.2 -0.966 47.8 19.1-138.8 154.9 20.6 24.9 2.2 67 260 A G E S-G 78 0D 13 11,-3.6 11,-1.8 -2,-0.3 9,-0.1 -0.345 110.0 -4.4 82.3-167.1 22.9 27.5 0.9 68 261 A W E +G 77 0D 80 9,-0.2 2,-0.3 -2,-0.1 9,-0.2 -0.362 68.0 175.7 -64.9 138.8 21.9 31.1 0.0 69 262 A V E -G 76 0D 20 7,-2.0 7,-2.1 -4,-0.1 2,-0.4 -0.993 22.8-139.3-145.5 135.8 18.3 31.8 0.4 70 263 A K E -G 75 0D 103 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.778 17.9-177.7 -96.6 140.9 16.4 35.1 -0.0 71 264 A Y S S- 0 0 78 3,-2.8 -2,-0.0 -2,-0.4 -1,-0.0 -0.753 71.1 -26.3-142.9 94.0 13.6 35.9 2.5 72 265 A K S S- 0 0 142 -2,-0.3 -1,-0.1 1,-0.2 3,-0.1 0.997 126.3 -43.6 63.9 67.5 11.7 39.2 1.9 73 266 A D S S+ 0 0 145 1,-0.1 2,-0.3 -3,-0.0 -1,-0.2 0.837 122.4 95.7 45.6 45.5 14.5 41.1 0.0 74 267 A T - 0 0 37 2,-0.0 -3,-2.8 33,-0.0 2,-0.2 -0.929 65.7-131.2-159.8 134.1 17.2 39.9 2.4 75 268 A W E +G 70 0D 103 -2,-0.3 33,-1.5 -5,-0.2 2,-0.3 -0.619 21.6 175.1 -95.6 151.6 19.7 37.1 2.2 76 269 A Y E -G 69 0D 38 -7,-2.1 -7,-2.0 -2,-0.2 2,-0.4 -0.870 22.2-134.7-138.6 168.2 20.7 34.4 4.7 77 270 A Y E -G 68 0D 38 9,-0.4 9,-2.3 29,-0.3 2,-0.5 -0.915 11.6-164.7-138.3 111.2 23.0 31.4 4.3 78 271 A L E -GH 67 85D 0 -11,-1.8 -11,-3.6 -2,-0.4 7,-0.3 -0.796 47.8 -86.5 -92.6 130.5 22.0 27.9 5.7 79 272 A D > - 0 0 59 5,-2.9 4,-2.7 -2,-0.5 -1,-0.1 -0.091 31.5-139.1 -40.7 117.2 24.9 25.5 5.9 80 273 A A T 4 S+ 0 0 60 -14,-0.2 -1,-0.2 2,-0.2 -2,-0.0 0.811 103.4 34.0 -49.7 -30.6 25.2 23.9 2.5 81 274 A K T 4 S+ 0 0 151 3,-0.1 -1,-0.1 1,-0.0 -2,-0.0 0.932 133.9 19.0 -88.4 -76.0 25.8 20.8 4.5 82 275 A E T 4 S- 0 0 109 2,-0.1 -2,-0.2 1,-0.1 3,-0.1 0.567 88.6-133.6 -77.6 -13.0 23.8 20.9 7.8 83 276 A G < + 0 0 0 -4,-2.7 -26,-0.3 1,-0.2 -18,-0.1 0.227 57.7 136.2 81.3 -18.6 21.2 23.5 6.8 84 277 A A - 0 0 13 -6,-0.2 -5,-2.9 1,-0.1 -1,-0.2 -0.397 63.9-100.6 -65.4 138.7 21.5 25.5 10.0 85 278 A M B -H 78 0D 38 -30,-3.0 2,-0.3 -7,-0.3 -7,-0.2 -0.280 32.6-136.5 -61.4 142.4 21.6 29.2 9.5 86 279 A V + 0 0 26 -9,-2.3 -9,-0.4 20,-0.2 2,-0.3 -0.786 25.9 177.8 -99.6 142.5 25.1 30.9 9.7 87 280 A S + 0 0 53 -2,-0.3 16,-0.2 1,-0.1 3,-0.1 -0.991 58.3 14.7-146.2 152.9 25.5 34.1 11.7 88 281 A N S S+ 0 0 50 15,-0.7 2,-0.3 14,-0.6 15,-0.2 0.918 102.4 114.2 49.2 49.9 28.4 36.4 12.6 89 282 A A E -I 102 0E 20 13,-1.1 13,-3.1 -3,-0.1 2,-0.5 -0.970 67.7-120.5-147.4 160.6 30.5 34.6 9.9 90 283 A F E -I 101 0E 20 -2,-0.3 2,-0.5 11,-0.2 11,-0.2 -0.909 24.1-164.5-104.5 126.3 32.3 35.1 6.6 91 284 A I E -I 100 0E 31 9,-2.9 9,-2.7 -2,-0.5 2,-0.1 -0.948 22.5-121.9-112.5 127.0 31.2 32.9 3.7 92 285 A Q E -I 99 0E 79 -2,-0.5 7,-0.3 7,-0.2 4,-0.1 -0.438 32.9-106.6 -68.9 137.3 33.5 32.6 0.7 93 286 A S > - 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