| Chain sequence(s) | MKMCAPVRGLFLALVAVWRTAVAFAPVPRITWEHGEVGLVKFHEPGIFNYSSLLMSEDKDTLYVGAREAVFAVNALDISEKQHEVYWKVSEDKKSKCAEKGKSKQTECLNYIRVLQPLSSTSLYVCGTNAFQPTCDHLNLTSFKFLGKSEDGKGRCPFDPAHSYTSVMVGGELYSGTSYNFLGSEPIISRNSSHSPLRTEYAIPWLNEPSFVFADVIHKSPDGTEAEDDKVYFFFTEVSVEYEFVFKLMIPRVARVCKGDQGGLRTLQKKWTSFLKARLICSRPDSGLVFNILQDVFVLRAPGLKEPVFYAVFTPQLNNVGLSAVCAYTLSTVEAVFSRGKYMQSATVEQSHTKWVRYNGPVPTPRPGACIDSEARAANYTSSLNLPDKTLQFVKDHPLMDDSVTPIDNRPKLIKKDVNYTQIVVDRTQALDGTFYDVMFLSTDRGALHKAVILAKEVHVVEETQLFQDFEPVLSLLLSSKKGRKFVYAGSNSGVVQAPLAFCGKHSSCEDCVLARDPYCAWSPAIKACVTLHQAEGSSRGWIQDMSGDTSSCLDKSKESFHQHFFKHGGTAELKCFQKSNLARVVWKFQNGELKAVSPKYGFVGRKHLLIFNLSDGDSGVYQCLSEERVRNKTVSQLLAKHILEVKMVARIPPSPTSQTAQTEGSRITSKMPVASTQGSSPPTPALWATSPRAATLPPKSSSTGTSCEPKMVINTVPQLHSEKTVYLKSSDNRLLMSLLLFLFVLFLCLFSYNCYKGYLPGQCLKFRSALLLAKKKPKSEFSDLEQSVKETLVEPGSFSQQNGDQPKPALDTGYETEQDTITSKVPTDREDSQRIDELSARDKPFDVKCELKFADSDADGD input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:00)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:00)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[INFO] PDB-Info: The input structure is partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:03)
[INFO] FoldX: Starting FoldX energy minimization (00:00:03)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:15:59)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/c94d7fa11ea35d/tmp/folded.pdb (00:15:59)
[INFO] Main: Simulation completed successfully. (00:25:52)
|
The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan3D score | mutation |
|---|---|---|---|---|
| residue index | residue name | chain | Aggrescan3D score | |
| 1 | M | A | 0.5293 | |
| 2 | K | A | -0.4781 | |
| 3 | M | A | 0.7929 | |
| 4 | C | A | 1.1298 | |
| 5 | A | A | 0.4302 | |
| 6 | P | A | 0.4806 | |
| 7 | V | A | 1.7058 | |
| 8 | R | A | 0.0749 | |
| 9 | G | A | 1.1398 | |
| 10 | L | A | 3.1238 | |
| 11 | F | A | 3.7731 | |
| 12 | L | A | 3.5037 | |
| 13 | A | A | 3.0175 | |
| 14 | L | A | 4.0430 | |
| 15 | V | A | 3.2098 | |
| 16 | A | A | 2.5935 | |
| 17 | V | A | 2.7006 | |
| 18 | W | A | 1.5480 | |
| 19 | R | A | -0.8391 | |
| 20 | T | A | -0.5385 | |
| 21 | A | A | -0.2160 | |
| 22 | V | A | 0.3124 | |
| 23 | A | A | 0.3654 | |
| 24 | F | A | 0.4965 | |
| 25 | A | A | 0.0000 | |
| 26 | P | A | 0.3384 | |
| 27 | V | A | 0.8675 | |
| 28 | P | A | 0.0000 | |
| 29 | R | A | 0.0000 | |
| 30 | I | A | 0.0000 | |
| 31 | T | A | -1.0923 | |
| 32 | W | A | 0.0000 | |
| 33 | E | A | -2.7567 | |
| 34 | H | A | 0.0000 | |
| 35 | G | A | -2.0747 | |
| 36 | E | A | -2.6734 | |
| 37 | V | A | 0.0000 | |
| 38 | G | A | -0.8907 | |
| 39 | L | A | 0.0000 | |
| 40 | V | A | -0.5392 | |
| 41 | K | A | -1.4112 | |
| 42 | F | A | 0.0000 | |
| 43 | H | A | -1.4074 | |
| 44 | E | A | -0.9434 | |
| 45 | P | A | -0.6340 | |
| 46 | G | A | -0.5097 | |
| 47 | I | A | 0.0000 | |
| 48 | F | A | 0.7083 | |
| 49 | N | A | 0.3189 | |
| 50 | Y | A | 0.0000 | |
| 51 | S | A | 0.2192 | |
| 52 | S | A | 0.1577 | |
| 53 | L | A | 0.3654 | |
| 54 | L | A | 0.0743 | |
| 55 | M | A | -0.9457 | |
| 56 | S | A | -2.0376 | |
| 57 | E | A | -3.2079 | |
| 58 | D | A | -3.5621 | |
| 59 | K | A | -3.1079 | |
| 60 | D | A | -3.0035 | |
| 61 | T | A | -1.9100 | |
| 62 | L | A | 0.0000 | |
| 63 | Y | A | 0.0000 | |
| 64 | V | A | 0.0000 | |
| 65 | G | A | 0.0000 | |
| 66 | A | A | 0.0000 | |
| 67 | R | A | -0.1934 | |
| 68 | E | A | 0.0000 | |
| 69 | A | A | 0.0000 | |
| 70 | V | A | 0.0000 | |
| 71 | F | A | 0.0000 | |
| 72 | A | A | 0.0000 | |
| 73 | V | A | 0.0000 | |
| 74 | N | A | -2.0111 | |
| 75 | A | A | 0.0000 | |
| 76 | L | A | -1.1164 | |
| 77 | D | A | -1.4672 | |
| 78 | I | A | 0.0000 | |
| 79 | S | A | -2.0040 | |
| 80 | E | A | -2.9664 | |
| 81 | K | A | -2.9446 | |
| 82 | Q | A | -2.4166 | |
| 83 | H | A | -2.1981 | |
| 84 | E | A | -1.6196 | |
| 85 | V | A | 0.0000 | |
| 86 | Y | A | -0.1797 | |
| 87 | W | A | -0.5111 | |
| 88 | K | A | -1.6798 | |
| 89 | V | A | 0.0000 | |
| 90 | S | A | -2.2298 | |
| 91 | E | A | -3.5163 | |
| 92 | D | A | -3.3096 | |
| 93 | K | A | -3.0815 | |
| 94 | K | A | -3.2579 | |
| 95 | S | A | -3.0992 | |
| 96 | K | A | -3.5109 | |
| 97 | C | A | 0.0000 | |
| 98 | A | A | -3.0885 | |
| 99 | E | A | -3.5554 | |
| 100 | K | A | -3.2974 | |
| 101 | G | A | -2.3343 | |
| 102 | K | A | -2.2162 | |
| 103 | S | A | -1.8535 | |
| 104 | K | A | -2.9361 | |
| 105 | Q | A | -1.9542 | |
| 106 | T | A | -1.2282 | |
| 107 | E | A | -1.1092 | |
| 108 | C | A | 0.0000 | |
| 109 | L | A | 0.0000 | |
| 110 | N | A | 0.0000 | |
| 111 | Y | A | 0.0000 | |
| 112 | I | A | 0.0000 | |
| 113 | R | A | 0.0000 | |
| 114 | V | A | 0.0000 | |
| 115 | L | A | 0.0000 | |
| 116 | Q | A | -0.0858 | |
| 117 | P | A | -0.3504 | |
| 118 | L | A | -0.1650 | |
| 119 | S | A | -0.4261 | |
| 120 | S | A | -0.7836 | |
| 121 | T | A | -0.2403 | |
| 122 | S | A | -0.2793 | |
| 123 | L | A | 0.0000 | |
| 124 | Y | A | 0.0000 | |
| 125 | V | A | 0.0000 | |
| 126 | C | A | 0.0000 | |
| 127 | G | A | 0.0000 | |
| 128 | T | A | 0.0000 | |
| 129 | N | A | 0.0000 | |
| 130 | A | A | 0.0000 | |
| 131 | F | A | 0.0000 | |
| 132 | Q | A | -1.1878 | |
| 133 | P | A | 0.0000 | |
| 134 | T | A | -1.5082 | |
| 135 | C | A | 0.0000 | |
| 136 | D | A | 0.0000 | |
| 137 | H | A | -0.8340 | |
| 138 | L | A | 0.0000 | |
| 139 | N | A | -0.6119 | |
| 140 | L | A | -0.4843 | |
| 141 | T | A | -0.4362 | |
| 142 | S | A | -0.7148 | |
| 143 | F | A | 0.0000 | |
| 144 | K | A | -1.6256 | |
| 145 | F | A | -0.5917 | |
| 146 | L | A | -0.2821 | |
| 147 | G | A | -1.2796 | |
| 148 | K | A | -2.2862 | |
| 149 | S | A | -1.9368 | |
| 150 | E | A | -2.7161 | |
| 151 | D | A | -2.4871 | |
| 152 | G | A | 0.0000 | |
| 153 | K | A | -1.7699 | |
| 154 | G | A | 0.0000 | |
| 155 | R | A | -0.7724 | |
| 156 | C | A | 0.0000 | |
| 157 | P | A | 0.0000 | |
| 158 | F | A | 0.0000 | |
| 159 | D | A | 0.0000 | |
| 160 | P | A | -0.1857 | |
| 161 | A | A | -0.0948 | |
| 162 | H | A | 0.0646 | |
| 163 | S | A | 0.0643 | |
| 164 | Y | A | 0.3335 | |
| 165 | T | A | 0.0000 | |
| 166 | S | A | 0.1422 | |
| 167 | V | A | -0.0130 | |
| 168 | M | A | -0.2566 | |
| 169 | V | A | 0.0000 | |
| 170 | G | A | -0.8149 | |
| 171 | G | A | -0.8814 | |
| 172 | E | A | -1.1021 | |
| 173 | L | A | 0.0000 | |
| 174 | Y | A | 0.0000 | |
| 175 | S | A | 0.0000 | |
| 176 | G | A | 0.0000 | |
| 177 | T | A | 0.0000 | |
| 178 | S | A | 0.0000 | |
| 179 | Y | A | -0.1963 | |
| 180 | N | A | 0.0738 | |
| 181 | F | A | 0.7832 | |
| 182 | L | A | 1.5110 | |
| 183 | G | A | 0.1691 | |
| 184 | S | A | -0.3100 | |
| 185 | E | A | -0.5676 | |
| 186 | P | A | -0.5093 | |
| 187 | I | A | 0.0000 | |
| 188 | I | A | 0.0000 | |
| 189 | S | A | -0.6823 | |
| 190 | R | A | 0.0000 | |
| 191 | N | A | -1.0994 | |
| 192 | S | A | -0.9896 | |
| 193 | S | A | -0.9215 | |
| 194 | H | A | -1.3210 | |
| 195 | S | A | -1.3528 | |
| 196 | P | A | -1.3110 | |
| 197 | L | A | 0.0000 | |
| 198 | R | A | -1.2334 | |
| 199 | T | A | 0.0000 | |
| 200 | E | A | -0.2319 | |
| 201 | Y | A | 0.6923 | |
| 202 | A | A | 0.9210 | |
| 203 | I | A | 1.7710 | |
| 204 | P | A | 0.6111 | |
| 205 | W | A | 0.0000 | |
| 206 | L | A | 0.0000 | |
| 207 | N | A | -0.2335 | |
| 208 | E | A | -1.7428 | |
| 209 | P | A | -1.0204 | |
| 210 | S | A | -0.4148 | |
| 211 | F | A | 0.0000 | |
| 212 | V | A | 0.3639 | |
| 213 | F | A | 0.4569 | |
| 214 | A | A | 0.0000 | |
| 215 | D | A | -0.1792 | |
| 216 | V | A | 0.0000 | |
| 217 | I | A | 0.0000 | |
| 218 | H | A | -1.6761 | |
| 219 | K | A | -2.0509 | |
| 220 | S | A | -2.0160 | |
| 221 | P | A | -1.7675 | |
| 222 | D | A | -2.4240 | |
| 223 | G | A | -2.0556 | |
| 224 | T | A | -1.6165 | |
| 225 | E | A | -2.5198 | |
| 226 | A | A | -1.6588 | |
| 227 | E | A | -2.0042 | |
| 228 | D | A | -1.6045 | |
| 229 | D | A | -1.3589 | |
| 230 | K | A | 0.0000 | |
| 231 | V | A | 0.0000 | |
| 232 | Y | A | 0.0000 | |
| 233 | F | A | 0.0000 | |
| 234 | F | A | 0.0000 | |
| 235 | F | A | 0.0000 | |
| 236 | T | A | 0.0000 | |
| 237 | E | A | 0.0000 | |
| 238 | V | A | 0.0000 | |
| 239 | S | A | 0.0000 | |
| 240 | V | A | -0.0442 | |
| 241 | E | A | 0.0000 | |
| 242 | Y | A | -0.6299 | |
| 243 | E | A | -0.7367 | |
| 244 | F | A | 1.5304 | |
| 245 | V | A | 2.2755 | |
| 246 | F | A | 1.3281 | |
| 247 | K | A | -0.6387 | |
| 248 | L | A | 0.1141 | |
| 249 | M | A | -0.1771 | |
| 250 | I | A | 0.0000 | |
| 251 | P | A | 0.0000 | |
| 252 | R | A | 0.0000 | |
| 253 | V | A | 0.0000 | |
| 254 | A | A | 0.0000 | |
| 255 | R | A | 0.0000 | |
| 256 | V | A | 0.0000 | |
| 257 | C | A | 0.0000 | |
| 258 | K | A | -1.2179 | |
| 259 | G | A | -0.9168 | |
| 260 | D | A | 0.0000 | |
| 261 | Q | A | -1.0596 | |
| 262 | G | A | 0.0000 | |
| 263 | G | A | 0.0000 | |
| 264 | L | A | -0.0461 | |
| 265 | R | A | -1.8285 | |
| 266 | T | A | -1.6810 | |
| 267 | L | A | 0.0000 | |
| 268 | Q | A | -2.1791 | |
| 269 | K | A | -2.5757 | |
| 270 | K | A | -1.7066 | |
| 271 | W | A | 0.0000 | |
| 272 | T | A | 0.0000 | |
| 273 | S | A | 0.0000 | |
| 274 | F | A | 0.0000 | |
| 275 | L | A | 0.0000 | |
| 276 | K | A | 0.0000 | |
| 277 | A | A | 0.0000 | |
| 278 | R | A | 0.0000 | |
| 279 | L | A | 0.0000 | |
| 280 | I | A | 0.3122 | |
| 281 | C | A | 0.0000 | |
| 282 | S | A | 0.0802 | |
| 283 | R | A | 0.0000 | |
| 284 | P | A | -0.4571 | |
| 285 | D | A | -1.5713 | |
| 286 | S | A | -0.8445 | |
| 287 | G | A | -0.4346 | |
| 288 | L | A | 0.5622 | |
| 289 | V | A | 1.5533 | |
| 290 | F | A | 0.0000 | |
| 291 | N | A | 0.0000 | |
| 292 | I | A | 0.4188 | |
| 293 | L | A | 0.0000 | |
| 294 | Q | A | -0.3892 | |
| 295 | D | A | -0.1371 | |
| 296 | V | A | 0.0000 | |
| 297 | F | A | 0.1672 | |
| 298 | V | A | 0.0000 | |
| 299 | L | A | 0.0000 | |
| 300 | R | A | -1.9778 | |
| 301 | A | A | -1.2948 | |
| 302 | P | A | -1.0161 | |
| 303 | G | A | -0.9381 | |
| 304 | L | A | -1.0843 | |
| 305 | K | A | -1.9448 | |
| 306 | E | A | -1.3820 | |
| 307 | P | A | -0.8521 | |
| 308 | V | A | -0.2427 | |
| 309 | F | A | 0.0000 | |
| 310 | Y | A | 0.0000 | |
| 311 | A | A | 0.0000 | |
| 312 | V | A | 0.0000 | |
| 313 | F | A | 0.0000 | |
| 314 | T | A | 0.0000 | |
| 315 | P | A | 0.0000 | |
| 316 | Q | A | -0.1738 | |
| 317 | L | A | 0.1797 | |
| 318 | N | A | -0.9013 | |
| 319 | N | A | -0.8085 | |
| 320 | V | A | 0.4851 | |
| 321 | G | A | -0.7047 | |
| 322 | L | A | 0.0000 | |
| 323 | S | A | 0.0000 | |
| 324 | A | A | 0.0000 | |
| 325 | V | A | 0.0000 | |
| 326 | C | A | 0.0000 | |
| 327 | A | A | 0.0000 | |
| 328 | Y | A | 0.0000 | |
| 329 | T | A | -0.0705 | |
| 330 | L | A | -0.2216 | |
| 331 | S | A | -0.2402 | |
| 332 | T | A | -0.0686 | |
| 333 | V | A | 0.0000 | |
| 334 | E | A | -0.7722 | |
| 335 | A | A | -0.9116 | |
| 336 | V | A | 0.0000 | |
| 337 | F | A | 0.0000 | |
| 338 | S | A | -1.3697 | |
| 339 | R | A | -2.3144 | |
| 340 | G | A | 0.0000 | |
| 341 | K | A | -2.0074 | |
| 342 | Y | A | 0.0000 | |
| 343 | M | A | 0.0000 | |
| 344 | Q | A | -1.1201 | |
| 345 | S | A | -0.6876 | |
| 346 | A | A | -0.7027 | |
| 347 | T | A | -1.1642 | |
| 348 | V | A | -1.0628 | |
| 349 | E | A | -2.5177 | |
| 350 | Q | A | -2.2794 | |
| 351 | S | A | -1.6873 | |
| 352 | H | A | -1.6828 | |
| 353 | T | A | -1.0437 | |
| 354 | K | A | -0.8623 | |
| 355 | W | A | 0.0000 | |
| 356 | V | A | -0.7937 | |
| 357 | R | A | -1.8121 | |
| 358 | Y | A | -1.3197 | |
| 359 | N | A | -1.7271 | |
| 360 | G | A | -1.0156 | |
| 361 | P | A | -0.2857 | |
| 362 | V | A | -0.0484 | |
| 363 | P | A | -0.4882 | |
| 364 | T | A | -0.3354 | |
| 365 | P | A | -0.6070 | |
| 366 | R | A | -0.4782 | |
| 367 | P | A | 0.0000 | |
| 368 | G | A | 0.0000 | |
| 369 | A | A | -0.2306 | |
| 370 | C | A | 0.0000 | |
| 371 | I | A | -0.9144 | |
| 372 | D | A | -1.9479 | |
| 373 | S | A | -2.1860 | |
| 374 | E | A | -2.4480 | |
| 375 | A | A | 0.0000 | |
| 376 | R | A | -2.1107 | |
| 377 | A | A | -1.5453 | |
| 378 | A | A | -1.3109 | |
| 379 | N | A | -1.8482 | |
| 380 | Y | A | -1.1435 | |
| 381 | T | A | -0.7192 | |
| 382 | S | A | -0.4564 | |
| 383 | S | A | 0.0000 | |
| 384 | L | A | 0.0719 | |
| 385 | N | A | -0.5106 | |
| 386 | L | A | -0.5574 | |
| 387 | P | A | -1.1348 | |
| 388 | D | A | -2.0269 | |
| 389 | K | A | -2.3251 | |
| 390 | T | A | 0.0000 | |
| 391 | L | A | 0.0000 | |
| 392 | Q | A | -2.1939 | |
| 393 | F | A | 0.0000 | |
| 394 | V | A | 0.0000 | |
| 395 | K | A | -1.5272 | |
| 396 | D | A | -1.6185 | |
| 397 | H | A | -1.0741 | |
| 398 | P | A | 0.0000 | |
| 399 | L | A | 0.0000 | |
| 400 | M | A | 0.0000 | |
| 401 | D | A | -1.0757 | |
| 402 | D | A | -1.3020 | |
| 403 | S | A | -0.2887 | |
| 404 | V | A | 0.0000 | |
| 405 | T | A | -0.6174 | |
| 406 | P | A | 0.0000 | |
| 407 | I | A | -0.8409 | |
| 408 | D | A | -2.3448 | |
| 409 | N | A | -2.2476 | |
| 410 | R | A | -1.7290 | |
| 411 | P | A | 0.0000 | |
| 412 | K | A | -1.2048 | |
| 413 | L | A | 0.0000 | |
| 414 | I | A | 0.0000 | |
| 415 | K | A | 0.0000 | |
| 416 | K | A | -1.3978 | |
| 417 | D | A | -1.8327 | |
| 418 | V | A | -1.3960 | |
| 419 | N | A | -1.2911 | |
| 420 | Y | A | 0.0000 | |
| 421 | T | A | -0.6392 | |
| 422 | Q | A | -0.2424 | |
| 423 | I | A | 0.0000 | |
| 424 | V | A | 0.0000 | |
| 425 | V | A | 0.0000 | |
| 426 | D | A | 0.0000 | |
| 427 | R | A | -0.5053 | |
| 428 | T | A | 0.0000 | |
| 429 | Q | A | -0.4876 | |
| 430 | A | A | 0.0000 | |
| 431 | L | A | -0.8483 | |
| 432 | D | A | -1.7008 | |
| 433 | G | A | -0.8088 | |
| 434 | T | A | -0.1422 | |
| 435 | F | A | 0.5806 | |
| 436 | Y | A | 0.3874 | |
| 437 | D | A | -0.1734 | |
| 438 | V | A | 0.0000 | |
| 439 | M | A | 0.0000 | |
| 440 | F | A | 0.0000 | |
| 441 | L | A | 0.0000 | |
| 442 | S | A | 0.0000 | |
| 443 | T | A | 0.0000 | |
| 444 | D | A | -1.6743 | |
| 445 | R | A | -2.4437 | |
| 446 | G | A | 0.0000 | |
| 447 | A | A | 0.0000 | |
| 448 | L | A | 0.0000 | |
| 449 | H | A | 0.0000 | |
| 450 | K | A | 0.0000 | |
| 451 | A | A | 0.0000 | |
| 452 | V | A | 0.0000 | |
| 453 | I | A | -0.5667 | |
| 454 | L | A | -0.6963 | |
| 455 | A | A | -1.2931 | |
| 456 | K | A | -2.4019 | |
| 457 | E | A | -2.5969 | |
| 458 | V | A | 0.0000 | |
| 459 | H | A | 0.0000 | |
| 460 | V | A | 0.0000 | |
| 461 | V | A | 0.0000 | |
| 462 | E | A | 0.0000 | |
| 463 | E | A | -0.4500 | |
| 464 | T | A | 0.0000 | |
| 465 | Q | A | -1.5804 | |
| 466 | L | A | 0.0000 | |
| 467 | F | A | 0.0000 | |
| 468 | Q | A | -2.3571 | |
| 469 | D | A | -2.3083 | |
| 470 | F | A | -1.3394 | |
| 471 | E | A | -1.4881 | |
| 472 | P | A | -1.2352 | |
| 473 | V | A | 0.0000 | |
| 474 | L | A | 0.2586 | |
| 475 | S | A | 0.3438 | |
| 476 | L | A | 0.4519 | |
| 477 | L | A | 0.5992 | |
| 478 | L | A | 0.2267 | |
| 479 | S | A | 0.0000 | |
| 480 | S | A | -1.4549 | |
| 481 | K | A | -2.9331 | |
| 482 | K | A | -3.2008 | |
| 483 | G | A | -3.0241 | |
| 484 | R | A | -3.2715 | |
| 485 | K | A | -2.1434 | |
| 486 | F | A | -0.5293 | |
| 487 | V | A | 0.0000 | |
| 488 | Y | A | 0.0000 | |
| 489 | A | A | 0.0000 | |
| 490 | G | A | 0.0000 | |
| 491 | S | A | 0.0000 | |
| 492 | N | A | -0.0689 | |
| 493 | S | A | -0.5128 | |
| 494 | G | A | 0.0000 | |
| 495 | V | A | 0.0000 | |
| 496 | V | A | 0.0000 | |
| 497 | Q | A | 0.0000 | |
| 498 | A | A | 0.0000 | |
| 499 | P | A | -0.3868 | |
| 500 | L | A | 0.0000 | |
| 501 | A | A | 0.0000 | |
| 502 | F | A | -0.2294 | |
| 503 | C | A | 0.0000 | |
| 504 | G | A | -0.7476 | |
| 505 | K | A | -1.1896 | |
| 506 | H | A | 0.0000 | |
| 507 | S | A | -1.0627 | |
| 508 | S | A | 0.0000 | |
| 509 | C | A | 0.0000 | |
| 510 | E | A | -0.8561 | |
| 511 | D | A | -0.8108 | |
| 512 | C | A | 0.0000 | |
| 513 | V | A | 0.0000 | |
| 514 | L | A | 0.0000 | |
| 515 | A | A | 0.0000 | |
| 516 | R | A | -0.3959 | |
| 517 | D | A | 0.0000 | |
| 518 | P | A | 0.0000 | |
| 519 | Y | A | 0.0000 | |
| 520 | C | A | 0.0000 | |
| 521 | A | A | 0.0000 | |
| 522 | W | A | 0.0000 | |
| 523 | S | A | 0.0000 | |
| 524 | P | A | 0.0934 | |
| 525 | A | A | 0.5421 | |
| 526 | I | A | 1.4710 | |
| 527 | K | A | -0.4359 | |
| 528 | A | A | -0.1439 | |
| 529 | C | A | 0.0000 | |
| 530 | V | A | -0.3804 | |
| 531 | T | A | -0.7514 | |
| 532 | L | A | 0.0000 | |
| 533 | H | A | -2.4439 | |
| 534 | Q | A | -2.9189 | |
| 535 | A | A | -1.8952 | |
| 536 | E | A | -2.5136 | |
| 537 | G | A | -1.9596 | |
| 538 | S | A | -1.5524 | |
| 539 | S | A | -1.6054 | |
| 540 | R | A | -2.1567 | |
| 541 | G | A | -1.3334 | |
| 542 | W | A | -0.6119 | |
| 543 | I | A | -0.4862 | |
| 544 | Q | A | -0.6698 | |
| 545 | D | A | -1.0179 | |
| 546 | M | A | -0.5368 | |
| 547 | S | A | -0.6810 | |
| 548 | G | A | 0.0000 | |
| 549 | D | A | -1.1505 | |
| 550 | T | A | -0.5318 | |
| 551 | S | A | -0.3660 | |
| 552 | S | A | -0.2169 | |
| 553 | C | A | -0.3421 | |
| 554 | L | A | 0.2269 | |
| 555 | D | A | -2.1948 | |
| 556 | K | A | -2.6138 | |
| 557 | S | A | -2.1002 | |
| 558 | K | A | -2.2882 | |
| 559 | E | A | -1.0302 | |
| 560 | S | A | 0.1365 | |
| 561 | F | A | 1.2095 | |
| 562 | H | A | -0.1367 | |
| 563 | Q | A | -0.5694 | |
| 564 | H | A | -0.0761 | |
| 565 | F | A | 0.7411 | |
| 566 | F | A | -0.2074 | |
| 567 | K | A | -1.8877 | |
| 568 | H | A | -1.7678 | |
| 569 | G | A | -1.6530 | |
| 570 | G | A | -1.2537 | |
| 571 | T | A | -0.6655 | |
| 572 | A | A | 0.0000 | |
| 573 | E | A | -0.8258 | |
| 574 | L | A | 0.0000 | |
| 575 | K | A | -1.1226 | |
| 576 | C | A | 0.0000 | |
| 577 | F | A | 1.2404 | |
| 578 | Q | A | 0.0000 | |
| 579 | K | A | -1.0894 | |
| 580 | S | A | 0.0000 | |
| 581 | N | A | -1.3247 | |
| 582 | L | A | -1.0408 | |
| 583 | A | A | -1.9058 | |
| 584 | R | A | -2.7632 | |
| 585 | V | A | 0.0000 | |
| 586 | V | A | 0.0000 | |
| 587 | W | A | 0.0000 | |
| 588 | K | A | -1.9281 | |
| 589 | F | A | -1.4607 | |
| 590 | Q | A | -1.9582 | |
| 591 | N | A | -2.2954 | |
| 592 | G | A | -2.4079 | |
| 593 | E | A | -2.8972 | |
| 594 | L | A | -1.8624 | |
| 595 | K | A | -1.8470 | |
| 596 | A | A | -0.3505 | |
| 597 | V | A | 0.5125 | |
| 598 | S | A | 0.0636 | |
| 599 | P | A | -0.3183 | |
| 600 | K | A | -0.5194 | |
| 601 | Y | A | 0.1177 | |
| 602 | G | A | 0.1717 | |
| 603 | F | A | 0.1772 | |
| 604 | V | A | -0.1228 | |
| 605 | G | A | -1.0125 | |
| 606 | R | A | -2.1396 | |
| 607 | K | A | -1.4764 | |
| 608 | H | A | -0.8601 | |
| 609 | L | A | 0.0000 | |
| 610 | L | A | 0.1542 | |
| 611 | I | A | 0.0000 | |
| 612 | F | A | -0.2730 | |
| 613 | N | A | -1.5358 | |
| 614 | L | A | 0.0000 | |
| 615 | S | A | -1.9836 | |
| 616 | D | A | -2.7311 | |
| 617 | G | A | -1.4982 | |
| 618 | D | A | 0.0000 | |
| 619 | S | A | -0.9869 | |
| 620 | G | A | -0.2528 | |
| 621 | V | A | 0.5450 | |
| 622 | Y | A | 0.0000 | |
| 623 | Q | A | -0.4217 | |
| 624 | C | A | 0.0000 | |
| 625 | L | A | -0.3665 | |
| 626 | S | A | 0.0000 | |
| 627 | E | A | -1.7099 | |
| 628 | E | A | 0.0000 | |
| 629 | R | A | -3.3418 | |
| 630 | V | A | 0.0000 | |
| 631 | R | A | -3.6079 | |
| 632 | N | A | -3.2217 | |
| 633 | K | A | -3.1719 | |
| 634 | T | A | -2.2981 | |
| 635 | V | A | -1.2853 | |
| 636 | S | A | -0.9968 | |
| 637 | Q | A | -0.5227 | |
| 638 | L | A | -0.4798 | |
| 639 | L | A | 0.4570 | |
| 640 | A | A | 0.0000 | |
| 641 | K | A | 0.3794 | |
| 642 | H | A | 0.0000 | |
| 643 | I | A | 0.3971 | |
| 644 | L | A | 0.0000 | |
| 645 | E | A | -1.3962 | |
| 646 | V | A | -1.5112 | |
| 647 | K | A | -1.6088 | |
| 648 | M | A | -0.1237 | |
| 649 | V | A | 1.1703 | |
| 650 | A | A | 0.5726 | |
| 651 | R | A | -0.3441 | |
| 652 | I | A | 1.1442 | |
| 653 | P | A | -0.0281 | |
| 654 | P | A | -0.3069 | |
| 655 | S | A | -0.2803 | |
| 656 | P | A | -0.6819 | |
| 657 | T | A | -0.6979 | |
| 658 | S | A | -0.9391 | |
| 659 | Q | A | -1.3696 | |
| 660 | T | A | -0.9424 | |
| 661 | A | A | -0.8944 | |
| 662 | Q | A | -1.6144 | |
| 663 | T | A | -1.6931 | |
| 664 | E | A | -2.3904 | |
| 665 | G | A | -1.8872 | |
| 666 | S | A | -1.4344 | |
| 667 | R | A | -1.1124 | |
| 668 | I | A | 1.0041 | |
| 669 | T | A | 0.1477 | |
| 670 | S | A | -0.4269 | |
| 671 | K | A | -1.3653 | |
| 672 | M | A | 0.4593 | |
| 673 | P | A | 0.7695 | |
| 674 | V | A | 1.8739 | |
| 675 | A | A | 0.8479 | |
| 676 | S | A | -0.0871 | |
| 677 | T | A | -0.8325 | |
| 678 | Q | A | -1.5517 | |
| 679 | G | A | -1.2136 | |
| 680 | S | A | -0.9233 | |
| 681 | S | A | -0.5922 | |
| 682 | P | A | -0.5410 | |
| 683 | P | A | -0.5313 | |
| 684 | T | A | -0.3713 | |
| 685 | P | A | -0.0048 | |
| 686 | A | A | 0.9761 | |
| 687 | L | A | 2.1071 | |
| 688 | W | A | 1.9572 | |
| 689 | A | A | 0.8751 | |
| 690 | T | A | 0.0770 | |
| 691 | S | A | -0.8082 | |
| 692 | P | A | -1.3884 | |
| 693 | R | A | -2.0026 | |
| 694 | A | A | -0.7325 | |
| 695 | A | A | -0.0517 | |
| 696 | T | A | 0.4369 | |
| 697 | L | A | 1.1573 | |
| 698 | P | A | -0.0129 | |
| 699 | P | A | -0.9122 | |
| 700 | K | A | -1.8835 | |
| 701 | S | A | -1.2969 | |
| 702 | S | A | -0.9532 | |
| 703 | S | A | -0.7236 | |
| 704 | T | A | -0.5138 | |
| 705 | G | A | -0.6606 | |
| 706 | T | A | -0.4682 | |
| 707 | S | A | -0.5235 | |
| 708 | C | A | -0.5355 | |
| 709 | E | A | -1.9598 | |
| 710 | P | A | -1.3138 | |
| 711 | K | A | -0.9085 | |
| 712 | M | A | 1.1697 | |
| 713 | V | A | 2.3464 | |
| 714 | I | A | 2.5409 | |
| 715 | N | A | 0.8415 | |
| 716 | T | A | 0.7730 | |
| 717 | V | A | 1.3791 | |
| 718 | P | A | 0.1830 | |
| 719 | Q | A | -0.3752 | |
| 720 | L | A | 0.3447 | |
| 721 | H | A | -1.4730 | |
| 722 | S | A | -1.8127 | |
| 723 | E | A | -2.5823 | |
| 724 | K | A | -2.2462 | |
| 725 | T | A | 0.2119 | |
| 726 | V | A | 1.9276 | |
| 727 | Y | A | 2.1935 | |
| 728 | L | A | 1.4335 | |
| 729 | K | A | -0.8730 | |
| 730 | S | A | -1.3870 | |
| 731 | S | A | -1.4120 | |
| 732 | D | A | -1.5130 | |
| 733 | N | A | -1.6357 | |
| 734 | R | A | -1.2654 | |
| 735 | L | A | 1.1310 | |
| 736 | L | A | 1.8570 | |
| 737 | M | A | 2.0833 | |
| 738 | S | A | 2.4572 | |
| 739 | L | A | 3.8285 | |
| 740 | L | A | 4.7099 | |
| 741 | L | A | 5.2961 | |
| 742 | F | A | 5.6372 | |
| 743 | L | A | 5.5343 | |
| 744 | F | A | 5.9324 | |
| 745 | V | A | 5.5550 | |
| 746 | L | A | 5.0787 | |
| 747 | F | A | 5.4884 | |
| 748 | L | A | 4.3472 | |
| 749 | C | A | 3.6636 | |
| 750 | L | A | 3.9996 | |
| 751 | F | A | 3.4369 | |
| 752 | S | A | 2.1032 | |
| 753 | Y | A | 2.3687 | |
| 754 | N | A | 1.5549 | |
| 755 | C | A | 1.5629 | |
| 756 | Y | A | 1.5770 | |
| 757 | K | A | 0.1116 | |
| 758 | G | A | 0.3986 | |
| 759 | Y | A | 1.2899 | |
| 760 | L | A | 0.8803 | |
| 761 | P | A | -0.1932 | |
| 762 | G | A | -0.8372 | |
| 763 | Q | A | -1.1316 | |
| 764 | C | A | 0.0000 | |
| 765 | L | A | 0.5523 | |
| 766 | K | A | -0.6675 | |
| 767 | F | A | 1.4397 | |
| 768 | R | A | 0.8268 | |
| 769 | S | A | 0.9532 | |
| 770 | A | A | 1.6538 | |
| 771 | L | A | 2.6089 | |
| 772 | L | A | 3.0513 | |
| 773 | L | A | 2.0962 | |
| 774 | A | A | 0.0444 | |
| 775 | K | A | -2.5999 | |
| 776 | K | A | -3.2769 | |
| 777 | K | A | -3.3923 | |
| 778 | P | A | -2.6376 | |
| 779 | K | A | -2.5580 | |
| 780 | S | A | -1.6942 | |
| 781 | E | A | -1.7232 | |
| 782 | F | A | 0.1362 | |
| 783 | S | A | -0.7773 | |
| 784 | D | A | -1.9293 | |
| 785 | L | A | -0.0145 | |
| 786 | E | A | -1.4061 | |
| 787 | Q | A | -2.1540 | |
| 788 | S | A | -1.4181 | |
| 789 | V | A | -0.7920 | |
| 790 | K | A | -1.9189 | |
| 791 | E | A | -1.7955 | |
| 792 | T | A | -0.1742 | |
| 793 | L | A | 1.4292 | |
| 794 | V | A | 1.2356 | |
| 795 | E | A | -0.8842 | |
| 796 | P | A | -0.5735 | |
| 797 | G | A | -0.4835 | |
| 798 | S | A | 0.1969 | |
| 799 | F | A | 1.1908 | |
| 800 | S | A | -0.1648 | |
| 801 | Q | A | -1.8050 | |
| 802 | Q | A | -2.3298 | |
| 803 | N | A | -2.7368 | |
| 804 | G | A | -2.6782 | |
| 805 | D | A | -3.1167 | |
| 806 | Q | A | -2.7404 | |
| 807 | P | A | -2.1604 | |
| 808 | K | A | -2.2494 | |
| 809 | P | A | -1.1101 | |
| 810 | A | A | -0.1894 | |
| 811 | L | A | 0.3575 | |
| 812 | D | A | -1.0545 | |
| 813 | T | A | -0.6346 | |
| 814 | G | A | -0.7032 | |
| 815 | Y | A | -0.2996 | |
| 816 | E | A | -2.0046 | |
| 817 | T | A | -2.1232 | |
| 818 | E | A | -3.2651 | |
| 819 | Q | A | -2.9830 | |
| 820 | D | A | -2.3444 | |
| 821 | T | A | -0.5874 | |
| 822 | I | A | 1.0320 | |
| 823 | T | A | 0.2903 | |
| 824 | S | A | -0.1008 | |
| 825 | K | A | -0.7997 | |
| 826 | V | A | 0.7455 | |
| 827 | P | A | -0.5209 | |
| 828 | T | A | -1.2568 | |
| 829 | D | A | -3.2255 | |
| 830 | R | A | -4.0877 | |
| 831 | E | A | -4.2476 | |
| 832 | D | A | -3.5267 | |
| 833 | S | A | -2.4859 | |
| 834 | Q | A | -2.3903 | |
| 835 | R | A | -1.8239 | |
| 836 | I | A | -0.2946 | |
| 837 | D | A | -1.8247 | |
| 838 | E | A | -1.5587 | |
| 839 | L | A | 0.3855 | |
| 840 | S | A | -0.2432 | |
| 841 | A | A | -1.3983 | |
| 842 | R | A | -3.1415 | |
| 843 | D | A | -3.3728 | |
| 844 | K | A | -2.8790 | |
| 845 | P | A | -0.7874 | |
| 846 | F | A | 0.6368 | |
| 847 | D | A | -0.6541 | |
| 848 | V | A | 0.5500 | |
| 849 | K | A | -1.0710 | |
| 850 | C | A | -0.5007 | |
| 851 | E | A | -1.2255 | |
| 852 | L | A | 0.3531 | |
| 853 | K | A | -0.6396 | |
| 854 | F | A | 0.7943 | |
| 855 | A | A | -0.3970 | |
| 856 | D | A | -1.8975 | |
| 857 | S | A | -1.9565 | |
| 858 | D | A | -2.7664 | |
| 859 | A | A | -2.2602 | |
| 860 | D | A | -2.8942 | |
| 861 | G | A | -2.4215 | |
| 862 | D | A | -2.4147 |
Calculations for various pH values
This page contains details and comparisons for all models calculated at different pH points.
pH |
Average A3D Score |
Max A3D Score |
|||
| 4.0 | -0.288 | 9.9921 | View | CSV | PDB |
| 4.5 | -0.3482 | 9.9921 | View | CSV | PDB |
| 5.0 | -0.4196 | 9.9921 | View | CSV | PDB |
| 5.5 | -0.4877 | 9.9921 | View | CSV | PDB |
| 6.0 | -0.5363 | 9.9921 | View | CSV | PDB |
| 6.5 | -0.5555 | 9.9921 | View | CSV | PDB |
| 7.0 | -0.5472 | 9.9921 | View | CSV | PDB |
| 7.5 | -0.5209 | 9.9921 | View | CSV | PDB |
| 8.0 | -0.4841 | 9.9921 | View | CSV | PDB |
| 8.5 | -0.4393 | 9.9921 | View | CSV | PDB |
| 9.0 | -0.3861 | 9.9921 | View | CSV | PDB |
ALA alanine
ARG arginine
ASN asparagine
ASP aspartic acid
CYS cysteine
GLN glutamine
GLU glutamic acid
GLY glycine
HIS histidine
ILE isoleucine
LEU leucine
LYS lysine
MET methionine
PHE phenylalanine
PRO proline
SER serine
THR threonine
TRP tryptophan
TYR tyrosine
VAL valine