==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CHOLINE-BINDING DOMAIN 10-MAY-01 1HCX . COMPND 2 MOLECULE: MAJOR AUTOLYSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR C.FERNANDEZ-TORNERO,R.LOPEZ,E.GARCIA,G.GIMENEZ-GALLEGO, . 254 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15752.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 147 57.9 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 . 83 32.7 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 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 2.0 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 . 27 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 12 1 2 6 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 8 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 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 G 0 0 130 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 114.8 11.9 70.5 4.1 2 193 A S + 0 0 96 1,-0.3 0, 0.0 2,-0.0 0, 0.0 0.334 360.0 19.5 -94.0 4.9 8.5 72.1 5.0 3 194 A Y S S- 0 0 140 2,-0.0 -1,-0.3 0, 0.0 2,-0.2 -0.825 89.4-102.0-173.4 131.4 7.8 69.3 7.5 4 195 A P - 0 0 66 0, 0.0 2,-0.5 0, 0.0 3,-0.1 -0.405 35.4-175.6 -63.6 123.6 10.0 66.7 9.4 5 196 A K - 0 0 132 -2,-0.2 15,-0.3 1,-0.2 14,-0.1 -0.865 63.1 -29.9-126.3 97.4 9.9 63.2 7.8 6 197 A D S S+ 0 0 63 13,-2.3 2,-0.3 -2,-0.5 13,-0.2 0.974 100.9 101.7 60.6 87.8 11.7 60.5 9.7 7 198 A K B -A 18 0A 112 11,-1.4 11,-1.9 -3,-0.1 -1,-0.2 -0.965 67.1 -86.6 178.8 168.3 14.7 62.1 11.4 8 199 A F - 0 0 37 -2,-0.3 9,-0.2 9,-0.2 10,-0.1 -0.006 33.0-166.7 -75.1-172.8 16.3 63.4 14.6 9 200 A E - 0 0 69 7,-0.4 2,-1.6 8,-0.1 7,-1.0 -0.482 18.7-150.9 176.5 107.6 15.9 67.0 15.9 10 201 A K - 0 0 104 5,-0.2 2,-0.6 -2,-0.1 3,-0.5 -0.333 19.4-171.8 -85.0 57.7 17.8 68.8 18.7 11 202 A I > - 0 0 72 -2,-1.6 3,-1.6 1,-0.2 -2,-0.0 -0.326 67.7 -50.6 -52.6 101.8 15.0 71.1 19.8 12 203 A N T 3 S- 0 0 142 -2,-0.6 2,-0.8 1,-0.3 -1,-0.2 0.797 123.9 -17.5 21.6 94.2 17.1 73.3 22.1 13 204 A G T 3 S+ 0 0 52 -3,-0.5 2,-0.3 1,-0.0 -1,-0.3 -0.237 124.7 73.2 88.6 -47.5 19.0 70.9 24.4 14 205 A T < - 0 0 43 -3,-1.6 2,-0.3 -2,-0.8 -3,-0.2 -0.806 69.4-136.2-109.2 147.0 17.0 67.8 23.9 15 206 A W + 0 0 85 -2,-0.3 31,-1.7 -5,-0.2 2,-0.3 -0.665 23.4 175.2 -97.0 151.7 16.7 65.4 20.9 16 207 A Y - 0 0 33 -7,-1.0 -7,-0.4 -2,-0.3 2,-0.3 -0.882 17.2-137.8-144.6 173.5 13.5 63.9 19.5 17 208 A Y - 0 0 1 8,-0.3 8,-3.8 27,-0.3 2,-0.4 -0.958 4.9-160.9-148.2 128.4 12.5 61.8 16.5 18 209 A F B -AB 7 24A 30 -11,-1.9 -11,-1.4 -2,-0.3 6,-0.3 -0.883 24.8-126.1-107.2 133.8 9.7 61.8 13.9 19 210 A D > - 0 0 32 4,-2.1 -13,-2.3 -2,-0.4 3,-1.8 -0.044 34.8 -95.0 -67.6 176.9 8.8 58.7 11.9 20 211 A S T 3 S+ 0 0 88 1,-0.3 -1,-0.1 -15,-0.3 -2,-0.0 0.851 126.1 63.3 -61.8 -34.2 8.6 58.7 8.1 21 212 A S T 3 S- 0 0 80 1,-0.1 2,-0.3 -16,-0.1 -1,-0.3 0.419 119.5-112.4 -71.4 2.8 4.8 59.3 8.5 22 213 A G S < S+ 0 0 25 -3,-1.8 -1,-0.1 1,-0.3 -2,-0.1 -0.219 78.9 121.0 96.3 -45.2 5.7 62.6 10.1 23 214 A Y - 0 0 175 -2,-0.3 -4,-2.1 -5,-0.2 -1,-0.3 0.069 66.4-106.2 -48.4 162.8 4.5 61.8 13.6 24 215 A M B -B 18 0A 78 -6,-0.3 2,-0.4 -3,-0.1 -6,-0.3 -0.696 30.0-113.7 -96.2 148.9 6.9 61.9 16.6 25 216 A L + 0 0 9 -8,-3.8 -8,-0.3 -2,-0.3 2,-0.3 -0.681 40.3 164.1 -86.6 132.5 8.2 58.8 18.3 26 217 A A + 0 0 43 -2,-0.4 16,-0.3 1,-0.1 15,-0.2 -0.973 66.8 2.3-149.2 131.2 7.1 58.1 21.9 27 218 A D S S+ 0 0 92 13,-2.5 2,-0.3 14,-1.0 14,-0.2 0.966 106.5 115.6 55.9 53.5 7.4 54.9 23.9 28 219 A R E -C 40 0B 147 12,-1.2 12,-1.1 13,-0.1 -1,-0.2 -0.983 61.2-130.9-155.5 140.6 9.1 53.3 21.0 29 220 A W E -C 39 0B 74 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.475 19.8-168.3 -86.6 162.4 12.5 51.8 20.1 30 221 A R E -C 38 0B 57 8,-1.9 8,-1.7 -2,-0.1 2,-0.9 -0.806 15.0-154.1-157.6 109.4 14.4 52.7 16.9 31 222 A K E -C 37 0B 119 -2,-0.3 6,-0.2 6,-0.2 5,-0.1 -0.772 30.8-157.9 -87.8 111.1 17.4 51.0 15.5 32 223 A H > - 0 0 47 4,-2.1 3,-1.0 -2,-0.9 -1,-0.1 0.087 33.5 -90.7 -77.3-172.1 19.2 53.7 13.5 33 224 A T T 3 S+ 0 0 122 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.436 121.7 66.8 -81.0 -3.6 21.6 53.8 10.6 34 225 A D T 3 S- 0 0 62 2,-0.2 -1,-0.2 0, 0.0 3,-0.1 0.328 113.7-116.3 -97.1 2.9 24.5 53.8 13.2 35 226 A G S < S+ 0 0 46 -3,-1.0 -2,-0.1 1,-0.3 2,-0.1 0.079 77.4 127.5 83.7 -24.6 23.5 50.3 14.2 36 227 A N - 0 0 63 -5,-0.1 -4,-2.1 1,-0.1 2,-0.4 -0.324 59.8-127.9 -69.8 143.0 22.6 51.7 17.6 37 228 A W E -C 31 0B 94 29,-0.4 29,-2.1 -6,-0.2 2,-0.3 -0.756 28.3-170.5 -90.8 134.4 19.3 51.2 19.4 38 229 A Y E -C 30 0B 18 -8,-1.7 -8,-1.9 -2,-0.4 2,-0.3 -0.892 6.6-162.4-124.4 155.9 17.5 54.3 20.6 39 230 A W E -C 29 0B 22 25,-0.4 8,-2.7 -2,-0.3 2,-0.4 -0.993 4.4-164.9-139.4 146.4 14.4 54.9 22.8 40 231 A F E -CD 28 46B 1 -12,-1.1 -13,-2.5 -2,-0.3 -12,-1.2 -0.996 19.7-134.6-132.8 126.6 12.1 57.9 23.4 41 232 A D > - 0 0 33 4,-1.8 3,-1.4 -2,-0.4 -14,-1.0 0.273 46.9 -73.7 -64.2-164.9 9.7 58.1 26.3 42 233 A N T 3 S+ 0 0 129 -16,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.743 135.2 53.4 -68.1 -20.2 6.1 59.1 26.2 43 234 A S T 3 S- 0 0 67 2,-0.1 -1,-0.3 -27,-0.0 -2,-0.1 -0.091 116.8-113.0-103.3 34.2 7.2 62.7 25.7 44 235 A G < + 0 0 1 -3,-1.4 -27,-0.3 -4,-0.2 -19,-0.2 0.439 66.2 152.2 52.9 -1.2 9.4 61.8 22.7 45 236 A E - 0 0 65 -29,-0.1 -4,-1.8 1,-0.1 2,-0.6 -0.380 51.7-116.4 -61.2 129.2 12.4 62.7 24.9 46 237 A M B -D 40 0B 17 -31,-1.7 -6,-0.2 -6,-0.2 -31,-0.2 -0.568 33.8-117.5 -72.7 117.6 15.5 60.7 23.7 47 238 A A + 0 0 2 -8,-2.7 2,-0.3 -2,-0.6 -8,-0.2 -0.112 36.2 177.8 -54.1 148.1 16.6 58.4 26.6 48 239 A T - 0 0 66 2,-0.2 2,-0.3 15,-0.1 13,-0.2 -0.957 52.5 -2.8-154.8 133.2 20.0 59.0 28.1 49 240 A G E S-E 60 0C 17 11,-1.6 11,-2.9 12,-0.4 2,-0.3 -0.684 117.2 -1.0 85.8-137.8 21.7 57.1 30.9 50 241 A W E +E 59 0C 52 -2,-0.3 2,-0.3 9,-0.2 -2,-0.2 -0.660 64.4 173.6 -93.5 145.6 19.5 54.5 32.7 51 242 A K E -E 58 0C 67 7,-2.1 7,-2.2 -2,-0.3 2,-0.8 -0.993 27.3-142.7-149.9 142.0 15.9 53.7 31.8 52 243 A K E +E 57 0C 111 -2,-0.3 2,-0.6 5,-0.2 5,-0.2 -0.869 28.8 179.9-109.6 97.4 13.4 51.1 32.9 53 244 A I - 0 0 8 3,-1.6 3,-0.5 -2,-0.8 -2,-0.0 -0.881 67.6 -15.7-106.5 117.0 11.4 50.1 29.8 54 245 A A S S- 0 0 95 -2,-0.6 -1,-0.2 1,-0.2 3,-0.1 0.817 131.0 -51.5 63.1 30.7 8.7 47.5 30.1 55 246 A D S S+ 0 0 122 1,-0.3 2,-0.3 -3,-0.2 -1,-0.2 0.703 120.5 100.8 79.2 24.3 10.1 46.4 33.5 56 247 A K - 0 0 100 -3,-0.5 -3,-1.6 30,-0.0 2,-0.4 -0.923 67.5-121.1-132.5 156.7 13.7 46.0 32.3 57 248 A W E +E 52 0C 106 -2,-0.3 30,-1.9 -5,-0.2 2,-0.3 -0.836 30.1 169.9-107.6 143.1 16.8 48.2 32.6 58 249 A Y E -E 51 0C 24 -7,-2.2 -7,-2.1 -2,-0.4 2,-0.4 -0.923 19.1-144.0-140.0 161.8 18.8 49.6 29.8 59 250 A Y E -EF 50 67C 52 8,-0.5 8,-2.8 26,-0.3 2,-0.3 -0.996 10.1-169.6-136.5 131.4 21.6 52.2 29.5 60 251 A F E -EF 49 66C 0 -11,-2.9 -11,-1.6 -2,-0.4 6,-0.3 -0.859 27.0-112.6-116.4 151.8 22.3 54.7 26.8 61 252 A N > - 0 0 46 4,-2.9 3,-1.7 -2,-0.3 -12,-0.4 -0.115 49.9 -80.8 -72.2 178.6 25.4 56.9 26.4 62 253 A E T 3 S+ 0 0 164 1,-0.3 -1,-0.1 -14,-0.1 -14,-0.1 0.176 132.7 55.5 -67.9 22.2 25.4 60.7 26.8 63 254 A E T 3 S- 0 0 124 2,-0.2 -1,-0.3 -2,-0.1 3,-0.1 0.010 120.8 -99.7-143.5 25.8 24.1 60.6 23.2 64 255 A G S < S+ 0 0 0 -3,-1.7 2,-0.4 1,-0.2 -25,-0.4 0.354 76.9 138.0 71.8 -5.7 21.0 58.4 23.4 65 256 A A - 0 0 4 -27,-0.1 -4,-2.9 1,-0.1 2,-0.4 -0.595 55.6-125.3 -78.1 126.4 22.9 55.3 22.1 66 257 A M E -F 60 0C 20 -29,-2.1 -29,-0.4 -2,-0.4 -6,-0.3 -0.551 30.5-162.8 -71.2 125.6 22.1 52.0 23.9 67 258 A K E -F 59 0C 115 -8,-2.8 -8,-0.5 -2,-0.4 2,-0.3 -0.692 4.7-162.1-107.4 163.2 25.2 50.4 25.1 68 259 A T + 0 0 60 -2,-0.2 2,-0.2 2,-0.1 13,-0.2 -0.912 46.1 50.9-138.8 165.6 25.8 46.8 26.2 69 260 A G E S-G 80 0D 15 11,-2.7 11,-2.4 -2,-0.3 2,-0.1 -0.622 100.9 -10.8 100.6-166.2 28.4 44.9 28.2 70 261 A W E +G 79 0D 77 9,-0.2 2,-0.3 -2,-0.2 9,-0.2 -0.358 66.2 171.1 -69.9 147.9 29.6 45.9 31.7 71 262 A V E -G 78 0D 22 7,-2.3 7,-2.4 -2,-0.1 2,-0.3 -0.972 23.3-132.4-156.4 140.7 28.7 49.3 33.0 72 263 A K E +G 77 0D 116 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.765 18.6 177.9-103.8 144.3 29.0 51.0 36.4 73 264 A Y E > S-G 76 0D 114 3,-2.4 3,-0.7 -2,-0.3 -2,-0.0 -0.901 72.9 -26.9-143.1 108.3 26.4 52.9 38.4 74 265 A K T 3 S- 0 0 149 -2,-0.3 -1,-0.2 1,-0.2 3,-0.0 0.940 124.2 -41.5 48.4 90.9 27.4 54.2 41.8 75 266 A D T 3 S+ 0 0 137 1,-0.1 2,-0.4 -3,-0.1 -1,-0.2 0.584 120.3 107.0 36.1 16.6 30.2 51.8 42.9 76 267 A T E < -G 73 0D 37 -3,-0.7 -3,-2.4 33,-0.0 2,-0.4 -0.979 62.0-139.5-128.4 131.9 28.1 48.9 41.5 77 268 A W E -G 72 0D 111 -2,-0.4 33,-2.2 -5,-0.2 2,-0.3 -0.691 20.0-179.6 -92.1 137.3 28.7 46.8 38.4 78 269 A Y E -G 71 0D 39 -7,-2.4 -7,-2.3 -2,-0.4 2,-0.5 -0.938 18.7-138.2-130.8 151.5 25.9 45.7 36.0 79 270 A Y E -G 70 0D 44 29,-0.4 9,-2.8 9,-0.4 2,-0.6 -0.953 10.5-154.5-117.6 124.0 26.0 43.7 32.8 80 271 A L E -GH 69 87D 0 -11,-2.4 -11,-2.7 -2,-0.5 7,-0.2 -0.851 29.7-109.6-100.9 119.4 23.9 44.6 29.8 81 272 A D > - 0 0 44 5,-3.0 4,-1.6 -2,-0.6 -1,-0.0 -0.126 21.2-136.9 -44.1 128.0 22.9 41.8 27.4 82 273 A A T 4 S+ 0 0 64 1,-0.2 -1,-0.2 2,-0.2 -14,-0.1 0.587 98.5 33.2 -69.1 -10.2 24.8 42.2 24.2 83 274 A K T 4 S+ 0 0 183 3,-0.1 -1,-0.2 0, 0.0 -2,-0.1 0.761 130.1 27.0-113.2 -41.8 21.8 41.4 22.1 84 275 A E T 4 S- 0 0 115 2,-0.2 -2,-0.2 0, 0.0 3,-0.1 0.593 89.8-136.3 -97.2 -15.9 18.7 42.8 23.9 85 276 A G < + 0 0 1 -4,-1.6 -26,-0.3 1,-0.3 -18,-0.1 0.263 59.0 136.6 77.7 -12.9 20.6 45.5 25.7 86 277 A A - 0 0 4 -6,-0.2 -5,-3.0 1,-0.1 -1,-0.3 -0.287 65.1 -94.7 -72.0 151.9 18.6 44.6 28.9 87 278 A M B -H 80 0D 45 -30,-1.9 2,-0.3 -7,-0.2 -7,-0.2 -0.436 39.5-135.9 -65.8 126.7 20.1 44.2 32.3 88 279 A V - 0 0 23 -9,-2.8 -9,-0.4 -2,-0.2 2,-0.3 -0.631 25.0-175.8 -86.2 143.2 21.0 40.6 33.1 89 280 A S + 0 0 55 -2,-0.3 16,-0.2 1,-0.2 3,-0.1 -0.998 59.3 8.3-142.5 146.3 20.1 39.2 36.5 90 281 A N S S+ 0 0 44 15,-0.7 2,-0.3 14,-0.5 -1,-0.2 0.964 101.7 122.2 50.4 55.6 20.7 35.9 38.4 91 282 A A E -I 104 0E 21 13,-0.8 13,-2.4 -3,-0.1 2,-0.7 -0.995 65.1-127.6-148.6 151.1 23.1 34.9 35.6 92 283 A F E -I 103 0E 22 -2,-0.3 2,-0.5 11,-0.2 11,-0.2 -0.880 23.8-168.7-101.9 110.7 26.7 33.9 35.0 93 284 A I E -I 102 0E 27 9,-2.4 9,-2.7 -2,-0.7 2,-0.2 -0.879 24.5-122.0-100.1 129.8 28.4 36.1 32.4 94 285 A Q E -I 101 0E 90 -2,-0.5 7,-0.3 7,-0.2 5,-0.1 -0.455 26.1-108.1 -73.0 138.0 31.7 34.7 31.3 95 286 A S > - 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