==== 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 06-FEB-01 1H8G . COMPND 2 MOLECULE: MAJOR AUTOLYSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR C.FERNANDEZ-TORNERO,E.GARCIA,R.LOPEZ,G.GIMENEZ-GALLEGO, . 189 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12618.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 105 55.6 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 . 64 33.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 2.1 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 . 16 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 1.1 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 . 8 0 2 4 2 0 1 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 . 2 6 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 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 1 224 A T 0 0 135 0, 0.0 2,-0.3 0, 0.0 116,-0.3 0.000 360.0 360.0 360.0-149.7 89.1 68.3 13.0 2 225 A D + 0 0 110 114,-0.1 103,-3.0 115,-0.0 104,-0.3 -0.921 360.0 122.9-129.4 154.2 85.6 69.3 11.9 3 226 A G E -A 104 0A 16 101,-0.3 2,-0.3 -2,-0.3 101,-0.3 -0.901 44.8 -84.7-176.8-153.4 83.0 67.2 10.0 4 227 A N E -A 103 0A 60 99,-2.2 99,-2.1 -2,-0.3 2,-0.3 -0.983 25.7-116.0-146.9 155.0 79.5 65.7 10.0 5 228 A W E -A 102 0A 36 -2,-0.3 29,-2.4 29,-0.3 2,-0.3 -0.649 31.8-177.4 -89.8 147.5 77.5 62.8 11.2 6 229 A Y E -A 101 0A 39 95,-2.5 95,-3.1 -2,-0.3 2,-0.4 -0.934 15.3-147.1-139.5 161.7 75.9 60.3 8.8 7 230 A W E -A 100 0A 22 25,-0.3 8,-3.4 -2,-0.3 2,-0.4 -0.982 11.2-175.9-137.6 122.7 73.7 57.2 9.1 8 231 A F E -AB 99 14A 50 91,-1.5 91,-2.0 -2,-0.4 6,-0.2 -0.968 23.9-130.0-116.9 132.7 73.8 54.2 6.9 9 232 A D E > -A 98 0A 27 4,-2.1 3,-1.9 -2,-0.4 89,-0.3 -0.228 36.3 -96.0 -72.7 170.1 71.3 51.4 7.3 10 233 A N T 3 S+ 0 0 118 87,-3.8 88,-0.1 1,-0.3 -1,-0.1 0.720 126.8 60.6 -60.0 -19.8 72.5 47.8 7.6 11 234 A S T 3 S- 0 0 97 86,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.671 120.2-108.9 -81.0 -19.4 71.7 47.6 3.8 12 235 A G < + 0 0 49 -3,-1.9 2,-0.5 1,-0.3 -2,-0.1 0.405 69.8 143.2 106.0 -1.2 74.2 50.3 3.1 13 236 A E - 0 0 142 1,-0.1 -4,-2.1 -5,-0.0 2,-0.3 -0.620 49.6-128.6 -79.3 123.0 71.7 53.0 2.2 14 237 A X B -B 8 0A 76 -2,-0.5 -6,-0.2 -6,-0.2 2,-0.1 -0.536 24.6-118.4 -72.7 127.5 72.8 56.5 3.3 15 238 A A + 0 0 7 -8,-3.4 2,-0.3 -2,-0.3 -8,-0.3 -0.414 39.7 174.4 -66.3 138.2 70.0 58.3 5.3 16 239 A T - 0 0 78 2,-0.2 13,-0.2 -2,-0.1 14,-0.1 -0.991 47.1 -1.9-146.9 144.1 68.9 61.5 3.6 17 240 A G E S-D 28 0B 18 11,-2.4 11,-3.3 12,-0.6 2,-0.2 -0.466 118.6 -0.3 74.2-147.1 66.1 63.9 4.5 18 241 A W E +D 27 0B 51 9,-0.2 2,-0.3 -2,-0.1 -2,-0.2 -0.541 70.0 171.0 -79.1 143.8 63.9 63.0 7.5 19 242 A K E -D 26 0B 80 7,-2.4 7,-2.6 -2,-0.2 2,-0.7 -0.964 27.0-142.3-154.3 131.9 64.7 59.8 9.3 20 243 A K E +D 25 0B 107 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.870 25.3 179.4-101.4 111.6 63.5 58.4 12.6 21 244 A I E > -D 24 0B 12 3,-2.0 3,-1.2 -2,-0.7 -2,-0.0 -0.942 65.9 -18.3-116.2 128.8 66.2 56.6 14.6 22 245 A A T 3 S- 0 0 97 -2,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.858 129.0 -49.8 46.6 41.8 65.7 55.0 18.0 23 246 A D T 3 S+ 0 0 129 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.730 119.5 97.6 73.9 24.5 62.5 57.0 18.5 24 247 A K E < -D 21 0B 72 -3,-1.2 -3,-2.0 -5,-0.0 2,-0.4 -0.970 69.3-120.4-138.3 152.6 63.8 60.4 17.7 25 248 A W E +D 20 0B 105 -2,-0.3 30,-2.7 30,-0.3 2,-0.3 -0.805 29.0 177.4-101.3 136.9 63.7 62.4 14.5 26 249 A Y E -D 19 0B 22 -7,-2.6 -7,-2.4 -2,-0.4 2,-0.5 -0.918 18.4-143.8-130.4 157.7 66.7 63.6 12.5 27 250 A Y E -D 18 0B 42 8,-0.4 8,-3.0 26,-0.4 2,-0.4 -0.977 12.3-169.1-128.6 120.6 67.1 65.5 9.3 28 251 A F E -DE 17 34B 0 -11,-3.3 -11,-2.4 -2,-0.5 6,-0.2 -0.863 19.9-129.2-106.6 139.2 69.9 64.8 6.9 29 252 A N > - 0 0 31 4,-2.3 3,-1.6 -2,-0.4 -12,-0.6 0.023 44.5 -79.8 -71.7-170.2 70.6 67.1 3.9 30 253 A E T 3 S+ 0 0 178 1,-0.3 -1,-0.1 -14,-0.1 -2,-0.0 0.722 132.5 53.7 -66.2 -22.9 71.1 65.9 0.4 31 254 A E T 3 S- 0 0 138 2,-0.1 -1,-0.3 -15,-0.0 3,-0.1 0.220 119.5-108.3 -95.3 11.3 74.6 64.8 1.1 32 255 A G S < S+ 0 0 0 -3,-1.6 2,-0.4 1,-0.2 -25,-0.3 0.419 71.4 144.6 77.7 -2.2 73.6 62.7 4.1 33 256 A A - 0 0 7 -27,-0.1 -4,-2.3 1,-0.1 -1,-0.2 -0.580 55.2-116.6 -74.8 124.0 75.1 65.2 6.6 34 257 A X B -E 28 0B 21 -29,-2.4 -29,-0.3 -2,-0.4 2,-0.2 -0.373 31.0-139.5 -63.0 129.1 73.0 65.5 9.8 35 258 A K - 0 0 86 -8,-3.0 -8,-0.4 -2,-0.1 2,-0.3 -0.626 17.7-170.7 -93.1 149.1 71.6 69.0 10.2 36 259 A T + 0 0 62 -2,-0.2 13,-0.2 2,-0.1 14,-0.2 -0.921 51.5 17.7-132.2 159.1 71.4 71.0 13.4 37 260 A G E S-F 48 0C 14 11,-2.7 11,-2.2 -2,-0.3 2,-0.1 -0.374 111.4 -0.5 78.9-160.2 69.6 74.2 14.2 38 261 A W E -F 47 0C 92 9,-0.2 2,-0.4 -2,-0.1 9,-0.2 -0.383 64.3-179.9 -67.6 137.5 66.9 75.7 12.0 39 262 A V E -F 46 0C 12 7,-2.0 7,-1.8 -2,-0.1 2,-0.6 -0.987 20.1-143.8-141.0 127.6 65.9 73.8 8.9 40 263 A K E -F 45 0C 100 -2,-0.4 2,-0.6 5,-0.2 5,-0.2 -0.828 16.5-175.1 -95.2 122.0 63.3 74.8 6.4 41 264 A Y E > -F 44 0C 93 3,-2.8 3,-0.9 -2,-0.6 -2,-0.0 -0.857 67.6 -39.1-120.1 93.9 61.4 71.8 5.0 42 265 A K T 3 S- 0 0 160 -2,-0.6 -1,-0.2 1,-0.2 2,-0.1 0.977 124.2 -32.1 53.1 76.0 59.0 72.8 2.2 43 266 A D T 3 S+ 0 0 140 1,-0.1 2,-0.3 -3,-0.1 -1,-0.2 0.124 123.6 89.1 75.7 -21.8 57.6 76.1 3.5 44 267 A T E < -F 41 0C 47 -3,-0.9 -3,-2.8 -2,-0.1 2,-0.3 -0.813 67.2-134.0-111.6 151.8 57.8 75.2 7.2 45 268 A W E -F 40 0C 107 -2,-0.3 33,-2.0 33,-0.3 2,-0.3 -0.765 20.9-179.8-104.1 148.3 60.5 75.6 9.8 46 269 A Y E -F 39 0C 33 -7,-1.8 -7,-2.0 -2,-0.3 2,-0.4 -0.885 19.0-134.6-135.7 165.9 61.9 73.0 12.3 47 270 A Y E -F 38 0C 51 9,-0.4 9,-3.0 29,-0.4 2,-0.5 -0.971 11.0-163.0-132.9 122.8 64.5 73.0 14.9 48 271 A L E -FG 37 55C 0 -11,-2.2 -11,-2.7 -2,-0.4 7,-0.3 -0.874 42.0 -94.3-103.2 131.1 67.1 70.3 15.4 49 272 A D > - 0 0 30 5,-2.9 4,-3.1 -2,-0.5 -1,-0.1 -0.176 32.7-140.3 -44.5 117.6 68.9 70.1 18.7 50 273 A A T 4 S+ 0 0 58 1,-0.2 -1,-0.2 2,-0.2 -14,-0.0 0.760 98.4 35.3 -55.7 -28.2 72.1 72.1 18.0 51 274 A K T 4 S+ 0 0 154 3,-0.1 -1,-0.2 1,-0.0 -2,-0.1 0.771 133.7 20.3 -99.1 -31.2 74.2 69.6 20.1 52 275 A E T 4 S- 0 0 42 2,-0.2 -2,-0.2 0, 0.0 -3,-0.1 0.506 89.6-129.0-119.4 -5.6 72.5 66.3 19.4 53 276 A G < + 0 0 0 -4,-3.1 -26,-0.4 1,-0.2 2,-0.2 0.199 58.2 134.9 82.0 -17.8 70.5 66.7 16.2 54 277 A A - 0 0 14 -6,-0.2 -5,-2.9 -28,-0.1 -1,-0.2 -0.445 63.4-102.9 -72.0 139.3 67.1 65.4 17.3 55 278 A X B -G 48 0C 39 -30,-2.7 2,-0.3 -7,-0.3 -30,-0.3 -0.359 31.9-134.6 -61.4 129.2 64.1 67.4 16.3 56 279 A V - 0 0 34 -9,-3.0 -9,-0.4 20,-0.1 2,-0.3 -0.654 28.4-178.2 -85.6 142.1 62.6 69.6 19.2 57 280 A S + 0 0 53 -2,-0.3 16,-0.2 1,-0.2 3,-0.1 -0.988 54.5 9.7-143.2 152.3 58.9 69.4 19.6 58 281 A N S S+ 0 0 98 15,-1.4 2,-0.3 -2,-0.3 15,-0.2 0.932 97.9 119.3 44.7 57.4 56.2 71.1 21.9 59 282 A A E -H 72 0D 29 13,-1.4 13,-2.9 -3,-0.1 2,-0.5 -0.993 62.5-133.6-149.6 151.1 58.8 73.4 23.3 60 283 A F E -H 71 0D 111 -2,-0.3 2,-0.4 11,-0.2 11,-0.2 -0.924 27.4-168.6-103.8 129.6 59.4 77.2 23.5 61 284 A I E -H 70 0D 32 9,-2.2 9,-1.8 -2,-0.5 -2,-0.0 -0.974 25.7-108.2-123.4 138.0 63.0 78.1 22.6 62 285 A Q E -H 69 0D 122 -2,-0.4 7,-0.2 7,-0.2 2,-0.1 -0.219 38.7-108.5 -60.0 148.7 64.5 81.5 23.2 63 286 A S - 0 0 18 5,-2.8 3,-0.5 1,-0.1 -1,-0.1 -0.348 26.1-112.0 -74.2 161.2 65.2 83.6 20.1 64 287 A A S S+ 0 0 112 1,-0.2 -1,-0.1 2,-0.1 -2,-0.1 0.955 120.9 42.1 -58.5 -52.6 68.8 84.1 18.9 65 288 A D S S- 0 0 108 1,-0.1 -1,-0.2 -3,-0.0 -3,-0.0 0.556 109.7-126.0 -72.3 -8.3 68.7 87.8 19.8 66 289 A G S S+ 0 0 43 -3,-0.5 -2,-0.1 2,-0.2 -1,-0.1 0.474 78.3 119.0 76.6 2.6 66.9 86.9 23.0 67 290 A T S S- 0 0 116 -5,-0.1 2,-0.3 1,-0.0 -1,-0.1 0.731 81.9 -15.0 -71.8 -26.0 64.1 89.4 22.2 68 291 A G - 0 0 25 -7,-0.0 -5,-2.8 2,-0.0 2,-0.3 -0.880 68.4-100.1-158.4-169.9 61.4 86.7 22.2 69 292 A W E -H 62 0D 153 -2,-0.3 2,-0.3 -7,-0.2 -7,-0.2 -0.765 18.7-145.0-121.3 169.0 60.6 83.0 22.0 70 293 A Y E -H 61 0D 101 -9,-1.8 -9,-2.2 -2,-0.3 2,-0.5 -0.949 13.9-140.6-129.9 149.8 59.5 80.6 19.3 71 294 A Y E -H 60 0D 25 8,-0.4 8,-2.2 -2,-0.3 2,-0.6 -0.961 5.7-158.6-120.2 131.6 57.1 77.7 19.8 72 295 A L E -HI 59 78D 0 -13,-2.9 -13,-1.4 -2,-0.5 -14,-0.3 -0.926 21.9-132.4-107.0 122.3 57.5 74.3 18.2 73 296 A K > - 0 0 38 4,-2.7 3,-2.5 -2,-0.6 -15,-1.4 -0.146 32.6 -95.1 -66.7 166.6 54.3 72.3 18.0 74 297 A P T 3 S+ 0 0 95 0, 0.0 -1,-0.1 0, 0.0 -17,-0.0 0.643 127.1 56.8 -60.0 -12.7 54.2 68.7 19.0 75 298 A D T 3 S- 0 0 84 2,-0.2 3,-0.1 -18,-0.0 -2,-0.1 0.252 119.8-109.8-100.9 10.1 54.7 67.7 15.4 76 299 A G S < S+ 0 0 0 -3,-2.5 -29,-0.4 1,-0.3 -20,-0.1 0.044 75.0 131.5 88.7 -27.8 57.9 69.7 15.3 77 300 A T - 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