==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CHOLINE-BINDING DOMAIN 15-FEB-02 1GVM . COMPND 2 MOLECULE: AUTOLYSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR C.FERNANDEZ-TORNERO,R.LOPEZ,E.GARCIA,G.GIMENEZ-GALLEGO, . 769 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 46944.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 427 55.5 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 . 243 31.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 38 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 16 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 . 72 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 7 0.9 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 . 35 7 5 12 12 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 . 6 19 1 5 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 0 117 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -68.5 24.1 -32.3 34.0 2 193 A S + 0 0 110 1,-0.2 0, 0.0 2,-0.0 0, 0.0 0.449 360.0 62.5 -97.6 -0.7 27.9 -32.1 33.9 3 194 A Y S S- 0 0 188 2,-0.0 -1,-0.2 0, 0.0 19,-0.1 -0.812 80.9-143.2-129.0 90.7 28.0 -31.2 30.2 4 195 A P - 0 0 29 0, 0.0 2,-0.4 0, 0.0 3,-0.1 -0.275 25.3-179.1 -53.9 125.8 26.2 -27.9 29.3 5 196 A K - 0 0 130 1,-0.2 15,-0.2 3,-0.1 14,-0.2 -0.991 56.1 -20.2-137.1 132.1 24.4 -28.2 26.0 6 197 A D S S+ 0 0 85 13,-0.8 2,-0.3 -2,-0.4 13,-0.2 0.920 105.3 105.9 39.5 66.8 22.4 -25.6 24.0 7 198 A K E S-A 18 0A 91 11,-1.1 11,-2.6 12,-0.1 2,-0.2 -0.970 71.4-112.8-165.9 152.3 21.7 -23.4 27.0 8 199 A F E -A 17 0A 38 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.494 37.4-172.2 -80.7 162.1 22.8 -20.1 28.6 9 200 A E E -A 16 0A 49 7,-2.1 7,-1.5 -2,-0.2 2,-0.7 -0.899 24.4-134.6-162.7 129.3 24.7 -20.4 31.8 10 201 A K E +A 15 0A 124 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.765 31.2 177.6 -87.8 118.2 25.9 -18.0 34.4 11 202 A I E > -A 14 0A 53 3,-3.3 3,-1.9 -2,-0.7 -2,-0.1 -0.984 68.7 -8.6-125.7 125.5 29.5 -18.8 35.3 12 203 A N T 3 S- 0 0 151 -2,-0.4 -1,-0.2 1,-0.3 3,-0.1 0.900 132.3 -56.3 56.1 38.1 31.6 -16.8 37.7 13 204 A G T 3 S+ 0 0 53 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.606 119.0 113.3 70.1 13.4 28.7 -14.3 37.6 14 205 A T E < -A 11 0A 31 -3,-1.9 -3,-3.3 -5,-0.0 2,-0.3 -0.938 65.3-124.1-122.4 138.6 29.0 -14.0 33.9 15 206 A W E +A 10 0A 102 -2,-0.4 31,-2.1 -5,-0.2 2,-0.3 -0.604 33.5 167.7 -83.4 136.4 26.6 -15.1 31.1 16 207 A Y E -A 9 0A 40 -7,-1.5 -7,-2.1 -2,-0.3 2,-0.5 -0.907 27.7-133.7-136.5 159.5 27.9 -17.4 28.4 17 208 A Y E -A 8 0A 8 27,-0.4 8,-2.0 -2,-0.3 2,-0.5 -0.989 16.7-148.6-121.0 127.5 26.0 -19.4 25.8 18 209 A F E -AB 7 24A 19 -11,-2.6 -11,-1.1 -2,-0.5 -12,-0.4 -0.826 8.3-150.1-100.7 123.6 26.9 -23.1 25.2 19 210 A D > - 0 0 47 4,-2.4 3,-1.2 -2,-0.5 -13,-0.8 -0.055 43.4 -80.5 -76.4-174.9 26.5 -24.6 21.7 20 211 A S T 3 S+ 0 0 74 1,-0.2 -1,-0.1 -15,-0.2 -2,-0.0 0.749 127.9 55.3 -61.6 -25.1 25.7 -28.2 21.1 21 212 A S T 3 S- 0 0 95 2,-0.2 -1,-0.2 -16,-0.0 3,-0.1 0.675 117.4-107.1 -80.4 -19.8 29.4 -29.4 21.6 22 213 A G S < S+ 0 0 27 -3,-1.2 2,-0.4 1,-0.4 -2,-0.1 0.613 80.4 128.0 99.7 15.1 29.6 -27.8 25.1 23 214 A Y - 0 0 170 1,-0.0 -4,-2.4 3,-0.0 -1,-0.4 -0.851 64.5-108.9-106.3 141.7 31.8 -25.1 23.9 24 215 A M B -B 18 0A 84 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.2 -0.309 31.9-116.1 -64.2 150.6 31.1 -21.4 24.5 25 216 A L - 0 0 9 -8,-2.0 2,-0.4 19,-0.2 -8,-0.3 -0.670 35.4-168.7 -83.5 147.2 30.0 -19.3 21.5 26 217 A A - 0 0 46 -2,-0.3 16,-0.2 1,-0.1 15,-0.2 -0.964 62.1 -3.6-144.2 123.8 32.6 -16.7 20.8 27 218 A D S S+ 0 0 79 13,-1.6 2,-0.3 14,-0.7 14,-0.2 0.943 101.9 120.2 61.3 50.8 32.2 -13.7 18.4 28 219 A R E -C 40 0B 119 12,-0.6 12,-0.8 13,-0.1 -1,-0.2 -0.997 61.0-133.9-146.8 138.5 28.8 -14.8 17.2 29 220 A W E -C 39 0B 79 -2,-0.3 10,-0.2 10,-0.2 2,-0.1 -0.593 25.9-170.3 -82.2 155.1 25.3 -13.4 17.2 30 221 A R - 0 0 61 8,-1.8 2,-0.2 -2,-0.2 6,-0.1 -0.567 17.8-145.9-153.9 86.2 22.8 -16.0 18.4 31 222 A K - 0 0 114 6,-0.2 6,-0.2 -2,-0.1 -2,-0.0 -0.331 30.8-144.6 -53.1 110.8 19.0 -15.3 18.0 32 223 A H > - 0 0 48 4,-2.1 3,-1.0 -2,-0.2 -1,-0.1 -0.008 25.5 -96.2 -71.3-178.1 17.7 -17.1 21.1 33 224 A T T 3 S+ 0 0 133 1,-0.2 -1,-0.1 2,-0.1 -2,-0.1 0.545 118.9 65.7 -78.0 -9.7 14.5 -19.0 21.5 34 225 A D T 3 S- 0 0 79 2,-0.2 -1,-0.2 0, 0.0 3,-0.1 0.318 117.4-104.6 -95.7 5.9 12.8 -15.8 23.0 35 226 A G S < S+ 0 0 45 -3,-1.0 2,-0.3 1,-0.3 -2,-0.1 0.665 82.4 117.5 82.5 15.4 13.1 -13.8 19.8 36 227 A N - 0 0 59 -6,-0.1 -4,-2.1 29,-0.0 2,-0.3 -0.810 61.5-121.0-114.4 157.7 16.0 -11.6 20.9 37 228 A W - 0 0 99 -2,-0.3 29,-1.5 29,-0.3 2,-0.4 -0.745 26.6-171.6 -96.8 143.6 19.5 -11.2 19.5 38 229 A Y - 0 0 17 -2,-0.3 -8,-1.8 27,-0.2 2,-0.3 -0.981 6.1-160.9-132.8 146.2 22.5 -11.8 21.6 39 230 A W E -C 29 0B 34 -2,-0.4 8,-3.5 25,-0.3 2,-0.4 -0.959 2.2-160.8-125.2 146.5 26.2 -11.2 21.0 40 231 A F E -CD 28 46B 0 -12,-0.8 -13,-1.6 -2,-0.3 -12,-0.6 -0.993 15.2-135.7-128.6 132.6 29.2 -12.7 22.7 41 232 A D > - 0 0 30 4,-1.8 3,-0.9 -2,-0.4 -14,-0.7 0.011 45.0 -74.6 -74.6-173.5 32.7 -11.3 22.7 42 233 A N T 3 S+ 0 0 129 1,-0.3 -1,-0.1 -16,-0.2 -2,-0.0 0.781 137.4 46.1 -54.6 -31.0 36.1 -13.0 22.1 43 234 A S T 3 S- 0 0 60 2,-0.1 -1,-0.3 -17,-0.0 -19,-0.1 0.709 119.5-114.0 -82.5 -22.8 35.9 -14.5 25.7 44 235 A G < + 0 0 0 -3,-0.9 -27,-0.4 1,-0.3 2,-0.2 0.618 61.6 154.5 97.8 16.4 32.3 -15.4 25.0 45 236 A E - 0 0 49 -29,-0.1 -4,-1.8 1,-0.1 2,-0.4 -0.566 52.1-106.1 -76.1 141.1 30.8 -13.0 27.6 46 237 A M B -D 40 0B 17 -31,-2.1 -6,-0.2 -2,-0.2 -31,-0.2 -0.553 40.3-108.6 -72.6 125.0 27.2 -12.0 26.8 47 238 A A + 0 0 1 -8,-3.5 2,-0.3 -2,-0.4 -8,-0.1 -0.141 39.9 176.9 -54.8 140.4 27.0 -8.4 25.5 48 239 A T - 0 0 56 2,-0.2 2,-0.2 15,-0.1 14,-0.1 -0.991 52.0 -5.1-145.1 138.9 25.5 -5.7 27.7 49 240 A G E S-E 60 0C 20 11,-1.1 11,-3.1 -2,-0.3 2,-0.3 -0.562 115.5 -7.6 79.8-140.5 25.2 -2.0 27.0 50 241 A W E +E 59 0C 50 9,-0.2 2,-0.3 -2,-0.2 9,-0.2 -0.698 62.7 178.8 -95.3 146.9 26.8 -0.6 23.8 51 242 A K E -E 58 0C 42 7,-2.3 7,-1.7 -2,-0.3 2,-1.1 -0.957 26.1-142.6-149.0 126.3 29.1 -2.7 21.6 52 243 A K E -E 57 0C 108 -2,-0.3 2,-0.6 5,-0.2 3,-0.4 -0.780 30.4-178.9 -90.8 98.2 30.8 -1.7 18.4 53 244 A I E > -E 56 0C 14 3,-2.1 3,-0.9 -2,-1.1 -2,-0.1 -0.894 67.8 -13.6-104.3 118.3 30.5 -4.9 16.4 54 245 A A T 3 S- 0 0 89 -2,-0.6 -1,-0.3 1,-0.2 3,-0.1 0.970 127.3 -56.8 54.3 57.0 32.0 -4.9 12.9 55 246 A D T 3 S+ 0 0 135 -3,-0.4 2,-0.4 1,-0.1 -1,-0.2 0.699 121.3 105.2 48.2 24.8 32.4 -1.2 13.0 56 247 A K E < -E 53 0C 117 -3,-0.9 -3,-2.1 -5,-0.0 2,-0.3 -0.974 69.3-122.3-128.6 144.0 28.7 -0.8 13.6 57 248 A W E +E 52 0C 94 -2,-0.4 30,-1.2 -5,-0.2 2,-0.3 -0.677 28.6 175.7 -96.0 146.2 27.1 0.1 16.9 58 249 A Y E -E 51 0C 21 -7,-1.7 -7,-2.3 -2,-0.3 2,-0.4 -0.937 16.7-150.1-138.8 158.4 24.6 -1.9 18.9 59 250 A Y E -E 50 0C 34 8,-0.4 8,-2.6 26,-0.3 2,-0.3 -0.999 12.5-171.3-133.4 130.9 22.9 -1.5 22.3 60 251 A F E -EF 49 66C 0 -11,-3.1 -11,-1.1 -2,-0.4 6,-0.3 -0.866 25.4-114.4-119.3 153.8 21.7 -4.4 24.4 61 252 A N > - 0 0 45 4,-2.9 3,-2.8 -2,-0.3 -12,-0.1 -0.405 41.8 -94.0 -81.4 165.7 19.7 -4.2 27.6 62 253 A E T 3 S+ 0 0 110 1,-0.3 -1,-0.1 -14,-0.1 -14,-0.0 0.518 126.1 58.9 -58.3 -2.1 21.1 -5.3 30.9 63 254 A E T 3 S- 0 0 142 2,-0.2 -1,-0.3 0, 0.0 3,-0.1 0.423 119.2-104.6-107.4 -2.3 19.6 -8.7 30.2 64 255 A G S < S+ 0 0 0 -3,-2.8 -25,-0.3 1,-0.3 -2,-0.1 -0.018 77.2 131.1 105.3 -31.0 21.5 -9.4 27.0 65 256 A A - 0 0 6 -5,-0.1 -4,-2.9 -27,-0.1 -1,-0.3 -0.355 61.1-118.8 -62.1 130.5 18.5 -8.8 24.6 66 257 A M B -F 60 0C 23 -29,-1.5 -29,-0.3 -6,-0.3 -6,-0.3 -0.563 28.2-139.3 -72.9 128.0 19.4 -6.5 21.7 67 258 A K - 0 0 90 -8,-2.6 -8,-0.4 -2,-0.3 2,-0.3 -0.480 18.7-173.6 -87.0 157.2 17.4 -3.2 21.6 68 259 A T + 0 0 62 -2,-0.2 2,-0.3 2,-0.1 13,-0.2 -0.934 48.7 30.5-141.6 161.8 16.0 -1.5 18.5 69 260 A G E S-G 80 0D 16 11,-4.0 11,-4.3 -2,-0.3 2,-0.7 -0.648 110.1 -4.8 91.3-147.1 14.2 1.8 18.1 70 261 A W E +G 79 0D 75 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.778 63.4 177.7 -93.1 115.5 14.8 4.8 20.2 71 262 A V E -G 78 0D 10 7,-1.8 7,-2.0 -2,-0.7 2,-0.5 -0.939 21.9-137.7-115.9 136.8 17.2 4.3 23.1 72 263 A K E +G 77 0D 82 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.843 23.5 178.5 -98.4 124.6 18.2 7.2 25.4 73 264 A Y E > -G 76 0D 92 3,-2.1 3,-0.8 -2,-0.5 -2,-0.0 -0.990 67.7 -14.8-129.2 126.9 21.8 7.4 26.4 74 265 A K T 3 S- 0 0 138 -2,-0.4 -1,-0.2 1,-0.2 3,-0.1 0.933 124.5 -58.4 45.4 58.9 23.3 10.2 28.6 75 266 A D T 3 S+ 0 0 119 -3,-0.1 2,-0.3 1,-0.1 -1,-0.2 0.808 121.1 101.9 37.1 46.5 20.2 12.3 28.1 76 267 A T E < -G 73 0D 40 -3,-0.8 -3,-2.1 -5,-0.0 2,-0.1 -0.916 69.9-125.5-152.8 122.8 20.6 12.3 24.3 77 268 A W E -G 72 0D 93 -2,-0.3 33,-2.3 -5,-0.2 2,-0.3 -0.417 23.2-177.3 -76.9 147.1 18.6 10.1 22.0 78 269 A Y E -GH 71 109D 38 -7,-2.0 -7,-1.8 31,-0.2 2,-0.5 -0.939 20.1-132.9-134.5 151.5 20.0 7.7 19.4 79 270 A Y E -G 70 0D 37 29,-0.5 9,-1.7 9,-0.4 2,-0.6 -0.948 11.2-156.2-116.3 132.7 17.9 5.5 17.0 80 271 A L E -GI 69 87D 0 -11,-4.3 -11,-4.0 -2,-0.5 7,-0.2 -0.916 27.0-114.2-110.3 118.9 18.4 1.8 16.4 81 272 A D > - 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