| Chain sequence(s) |
A: MIWGLIAHGVGHVGRLIHGLIRGGAPLRVGSNDANTGGLVSRWQKTMLARYAAYAKAYDGGPLRVDGYFGYDDADVQREYERRTHQVVDGEVSDADLRALGLEAAKRWLFTVHGTGQADPLGPGLPADTARAVLDKYTWQPIGNYPARAFPMWSSIMDGARELRSQIASKSGEVNLAGYSQGAVVVGQVLKHDIMDPKGSLHHRLGDVRKVVLWGNPMRQRGIAHFDEWIHPVAGPDSYGILDDRLEGLEKAPFEIRDYAHAGDMYASITDGDKDEYKIAICKIVMTATDFYRGPNSVVSQLIELGQRPLTEGIAMALAIIDTLRFFTNTAHGYNIGPAIDFLRSAGAGAGAGGSTERVLPYDRNIVPQETGWWCGPAATQVVLNSRGIIVPEATLANEIEQIENPGRGDDRDGTDYVGLIEQVLDRRVPEAKYTSVYMPNDPPTAAQREALWQNIVRSINAGWGVIMNWVAPPSNKPRGVKGSPNPKYSGGTTYHYVACMGYDDTPGARALWIADSGFQPFNYWISFDQAATLIPPKGYAYAATTATAPAPAPAPVDAAPILARAAGISEAKAREILPTFRDGLRLAECNNVPRIAMFIAQTGHESDNFNATQEYDHGRNYGDPNEATDRWKYKGRTWIQITWRGNYERFSRWCFDRKLVPTPTYFVDNPRALADVRWAGIGAAWYWTVERPSINRLCDERNLTEVTRLINGGTSWEAPTWMKHRKERYDRALAVGNDLLKLLDGEEEGFLSALTPKEQRELYDEIMKRGPSRSFLADDGRQIETLLGFIYNIDGNAWNIVNILGCLIGVPECVDDIRDVAENGVRKGSYAESNPWLAQFGQEFCKRLLPLAGKLSELLNAQEFKVTHNRIIEQGSYARKARRQARR
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| alphaCutter usage | No |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:07)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:08)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:08)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:08)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:13)
[INFO] FoldX: Starting FoldX energy minimization (00:00:13)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:19:28)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/785dd4fec96ea0a/tmp/folded.pdb (00:19:28)
[INFO] Main: Simulation completed successfully. (00:28:07)
|
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan4D score | mutation |
|---|---|---|---|---|
| 1 | M | A | 2.5191 | |
| 2 | I | A | 3.6175 | |
| 3 | W | A | 2.9566 | |
| 4 | G | A | 1.8643 | |
| 5 | L | A | 2.8555 | |
| 6 | I | A | 2.5754 | |
| 7 | A | A | 1.2277 | |
| 8 | H | A | 0.1911 | |
| 9 | G | A | 0.7269 | |
| 10 | V | A | 1.7838 | |
| 11 | G | A | 0.0861 | |
| 12 | H | A | -0.3314 | |
| 13 | V | A | 1.4433 | |
| 14 | G | A | 0.3873 | |
| 15 | R | A | -0.6537 | |
| 16 | L | A | 1.8089 | |
| 17 | I | A | 1.7853 | |
| 18 | H | A | 0.0671 | |
| 19 | G | A | 0.4452 | |
| 20 | L | A | 1.9299 | |
| 21 | I | A | 1.7333 | |
| 22 | R | A | -1.2646 | |
| 23 | G | A | -1.4993 | |
| 24 | G | A | -1.9042 | |
| 25 | A | A | -1.4739 | |
| 26 | P | A | -1.6371 | |
| 27 | L | A | 0.0000 | |
| 28 | R | A | -1.9953 | |
| 29 | V | A | -0.3869 | |
| 30 | G | A | -0.4876 | |
| 31 | S | A | 0.0000 | |
| 32 | N | A | -1.2089 | |
| 33 | D | A | -1.4954 | |
| 34 | A | A | -0.9554 | |
| 35 | N | A | -1.5974 | |
| 36 | T | A | -1.0726 | |
| 37 | G | A | -1.2527 | |
| 38 | G | A | -1.1322 | |
| 39 | L | A | -1.3853 | |
| 40 | V | A | 0.0000 | |
| 41 | S | A | -1.7979 | |
| 42 | R | A | -2.3953 | |
| 43 | W | A | 0.0000 | |
| 44 | Q | A | 0.0000 | |
| 45 | K | A | -2.6216 | |
| 46 | T | A | -1.7428 | |
| 47 | M | A | 0.0000 | |
| 48 | L | A | -1.1529 | |
| 49 | A | A | -1.0656 | |
| 50 | R | A | -1.8149 | |
| 51 | Y | A | -0.8100 | |
| 52 | A | A | -0.5614 | |
| 53 | A | A | -0.2026 | |
| 54 | Y | A | -0.6352 | |
| 55 | A | A | 0.0000 | |
| 56 | K | A | -1.7632 | |
| 57 | A | A | 0.0000 | |
| 58 | Y | A | -0.2455 | |
| 59 | D | A | -1.6765 | |
| 60 | G | A | -1.3533 | |
| 61 | G | A | -1.2660 | |
| 62 | P | A | -1.0585 | |
| 63 | L | A | 0.0000 | |
| 64 | R | A | -1.6341 | |
| 65 | V | A | -1.2582 | |
| 66 | D | A | -1.7976 | |
| 67 | G | A | 0.0000 | |
| 68 | Y | A | -0.0625 | |
| 69 | F | A | 0.0000 | |
| 70 | G | A | 0.0000 | |
| 71 | Y | A | 0.8195 | |
| 72 | D | A | -0.6367 | |
| 73 | D | A | 0.0000 | |
| 74 | A | A | 0.0000 | |
| 75 | D | A | -2.0789 | |
| 76 | V | A | 0.0000 | |
| 77 | Q | A | 0.0000 | |
| 78 | R | A | -2.3843 | |
| 79 | E | A | -2.4001 | |
| 80 | Y | A | 0.0000 | |
| 81 | E | A | 0.0000 | |
| 82 | R | A | -3.0993 | |
| 83 | R | A | -3.2438 | |
| 84 | T | A | -1.9455 | |
| 85 | H | A | -1.9564 | |
| 86 | Q | A | -0.9813 | |
| 87 | V | A | 0.9483 | |
| 88 | V | A | -0.2390 | |
| 89 | D | A | -1.5127 | |
| 90 | G | A | 0.0000 | |
| 91 | E | A | -2.0726 | |
| 92 | V | A | 0.0000 | |
| 93 | S | A | -2.0681 | |
| 94 | D | A | -3.2412 | |
| 95 | A | A | -1.8171 | |
| 96 | D | A | 0.0000 | |
| 97 | L | A | 0.0000 | |
| 98 | R | A | -3.1019 | |
| 99 | A | A | -1.5145 | |
| 100 | L | A | 0.0000 | |
| 101 | G | A | -1.6399 | |
| 102 | L | A | 0.0000 | |
| 103 | E | A | -3.1280 | |
| 104 | A | A | -1.9258 | |
| 105 | A | A | -1.3890 | |
| 106 | K | A | -2.1065 | |
| 107 | R | A | -2.1231 | |
| 108 | W | A | -1.1460 | |
| 109 | L | A | 0.0000 | |
| 110 | F | A | 0.0000 | |
| 111 | T | A | 0.0000 | |
| 112 | V | A | 0.0000 | |
| 113 | H | A | 0.0000 | |
| 114 | G | A | 0.0000 | |
| 115 | T | A | 0.0000 | |
| 116 | G | A | -1.3226 | |
| 117 | Q | A | -1.1431 | |
| 118 | A | A | -1.3874 | |
| 119 | D | A | -1.6047 | |
| 120 | P | A | -0.5122 | |
| 121 | L | A | 0.4876 | |
| 122 | G | A | 0.0000 | |
| 123 | P | A | -0.4126 | |
| 124 | G | A | -0.2951 | |
| 125 | L | A | -0.0409 | |
| 126 | P | A | 0.0000 | |
| 127 | A | A | 0.0000 | |
| 128 | D | A | -0.9565 | |
| 129 | T | A | 0.0000 | |
| 130 | A | A | 0.0000 | |
| 131 | R | A | -1.4341 | |
| 132 | A | A | -1.1178 | |
| 133 | V | A | 0.0000 | |
| 134 | L | A | -0.3085 | |
| 135 | D | A | -1.9262 | |
| 136 | K | A | -1.7677 | |
| 137 | Y | A | -1.2692 | |
| 138 | T | A | -0.7338 | |
| 139 | W | A | -0.4297 | |
| 140 | Q | A | -0.0062 | |
| 141 | P | A | -0.0207 | |
| 142 | I | A | 0.0000 | |
| 143 | G | A | -1.0776 | |
| 144 | N | A | -2.0422 | |
| 145 | Y | A | 0.0000 | |
| 146 | P | A | -1.5219 | |
| 147 | A | A | 0.0000 | |
| 148 | R | A | -2.1566 | |
| 149 | A | A | 0.0000 | |
| 150 | F | A | -0.6838 | |
| 151 | P | A | -0.3011 | |
| 152 | M | A | 0.0000 | |
| 153 | W | A | -0.1444 | |
| 154 | S | A | -0.4376 | |
| 155 | S | A | 0.0000 | |
| 156 | I | A | 0.0000 | |
| 157 | M | A | -0.6543 | |
| 158 | D | A | -1.7223 | |
| 159 | G | A | 0.0000 | |
| 160 | A | A | 0.0000 | |
| 161 | R | A | -2.5473 | |
| 162 | E | A | -1.8692 | |
| 163 | L | A | 0.0000 | |
| 164 | R | A | -1.2830 | |
| 165 | S | A | -1.0594 | |
| 166 | Q | A | -0.8895 | |
| 167 | I | A | 0.0000 | |
| 168 | A | A | -0.5320 | |
| 169 | S | A | -0.5079 | |
| 170 | K | A | -0.6800 | |
| 171 | S | A | -0.8816 | |
| 172 | G | A | -1.3367 | |
| 173 | E | A | -1.4793 | |
| 174 | V | A | 0.0000 | |
| 175 | N | A | 0.0000 | |
| 176 | L | A | 0.0000 | |
| 177 | A | A | 0.0000 | |
| 178 | G | A | 0.0000 | |
| 179 | Y | A | 0.1489 | |
| 180 | S | A | 0.0000 | |
| 181 | Q | A | 0.0000 | |
| 182 | G | A | 0.0000 | |
| 183 | A | A | 0.0000 | |
| 184 | V | A | 0.0000 | |
| 185 | V | A | 0.0000 | |
| 186 | V | A | 0.0000 | |
| 187 | G | A | 0.0000 | |
| 188 | Q | A | 0.0000 | |
| 189 | V | A | 0.0000 | |
| 190 | L | A | 0.0000 | |
| 191 | K | A | -1.2231 | |
| 192 | H | A | -1.1985 | |
| 193 | D | A | 0.0000 | |
| 194 | I | A | 0.0000 | |
| 195 | M | A | -1.0711 | |
| 196 | D | A | -1.5118 | |
| 197 | P | A | -1.6468 | |
| 198 | K | A | -2.3113 | |
| 199 | G | A | -1.6593 | |
| 200 | S | A | -1.1311 | |
| 201 | L | A | 0.0000 | |
| 202 | H | A | -1.5460 | |
| 203 | H | A | -1.4715 | |
| 204 | R | A | 0.0000 | |
| 205 | L | A | -0.6877 | |
| 206 | G | A | -1.0526 | |
| 207 | D | A | -1.2569 | |
| 208 | V | A | 0.0000 | |
| 209 | R | A | -1.0223 | |
| 210 | K | A | 0.0000 | |
| 211 | V | A | 0.0000 | |
| 212 | V | A | 0.0000 | |
| 213 | L | A | 0.0000 | |
| 214 | W | A | 0.0000 | |
| 215 | G | A | 0.0000 | |
| 216 | N | A | 0.0000 | |
| 217 | P | A | 0.0000 | |
| 218 | M | A | 0.0000 | |
| 219 | R | A | 0.0000 | |
| 220 | Q | A | 0.0000 | |
| 221 | R | A | -1.7228 | |
| 222 | G | A | -1.1950 | |
| 223 | I | A | -0.8372 | |
| 224 | A | A | 0.1358 | |
| 225 | H | A | 0.1420 | |
| 226 | F | A | 0.8447 | |
| 227 | D | A | 0.0000 | |
| 228 | E | A | -0.8261 | |
| 229 | W | A | 0.8728 | |
| 230 | I | A | 1.9260 | |
| 231 | H | A | 0.8476 | |
| 232 | P | A | 0.4910 | |
| 233 | V | A | 0.8844 | |
| 234 | A | A | 0.0000 | |
| 235 | G | A | -0.9058 | |
| 236 | P | A | -1.3397 | |
| 237 | D | A | -2.5508 | |
| 238 | S | A | 0.0000 | |
| 239 | Y | A | -1.1886 | |
| 240 | G | A | 0.0000 | |
| 241 | I | A | 0.0000 | |
| 242 | L | A | 0.0000 | |
| 243 | D | A | -2.1884 | |
| 244 | D | A | -1.7988 | |
| 245 | R | A | -1.8170 | |
| 246 | L | A | 0.0000 | |
| 247 | E | A | -2.6900 | |
| 248 | G | A | -2.1730 | |
| 249 | L | A | 0.0000 | |
| 250 | E | A | -2.9840 | |
| 251 | K | A | -2.9222 | |
| 252 | A | A | -1.7914 | |
| 253 | P | A | -1.1518 | |
| 254 | F | A | 0.0000 | |
| 255 | E | A | -1.1979 | |
| 256 | I | A | 0.0000 | |
| 257 | R | A | -0.5111 | |
| 258 | D | A | 0.0000 | |
| 259 | Y | A | 0.0000 | |
| 260 | A | A | 0.0000 | |
| 261 | H | A | 0.0000 | |
| 262 | A | A | -0.0860 | |
| 263 | G | A | -0.4248 | |
| 264 | D | A | 0.0000 | |
| 265 | M | A | -0.0171 | |
| 266 | Y | A | 0.0000 | |
| 267 | A | A | 0.0000 | |
| 268 | S | A | -0.3884 | |
| 269 | I | A | 0.0000 | |
| 270 | T | A | -2.3242 | |
| 271 | D | A | -2.9051 | |
| 272 | G | A | -2.6343 | |
| 273 | D | A | -2.9793 | |
| 274 | K | A | -3.3874 | |
| 275 | D | A | -3.1832 | |
| 276 | E | A | -3.3716 | |
| 277 | Y | A | -2.0571 | |
| 278 | K | A | -1.7391 | |
| 279 | I | A | -1.3044 | |
| 280 | A | A | -0.7729 | |
| 281 | I | A | 0.0000 | |
| 282 | C | A | 0.0000 | |
| 283 | K | A | -0.6186 | |
| 284 | I | A | -0.2617 | |
| 285 | V | A | 0.0000 | |
| 286 | M | A | 0.0000 | |
| 287 | T | A | -0.2495 | |
| 288 | A | A | 0.0000 | |
| 289 | T | A | -0.6539 | |
| 290 | D | A | -0.6770 | |
| 291 | F | A | 0.2024 | |
| 292 | Y | A | 0.1787 | |
| 293 | R | A | -1.7108 | |
| 294 | G | A | -1.6346 | |
| 295 | P | A | -1.5957 | |
| 296 | N | A | -1.7861 | |
| 297 | S | A | 0.0000 | |
| 298 | V | A | 0.0000 | |
| 299 | V | A | 0.4695 | |
| 300 | S | A | -0.2859 | |
| 301 | Q | A | -0.5527 | |
| 302 | L | A | 0.0000 | |
| 303 | I | A | 0.7803 | |
| 304 | E | A | -1.1155 | |
| 305 | L | A | -0.7678 | |
| 306 | G | A | -1.3299 | |
| 307 | Q | A | -2.0814 | |
| 308 | R | A | -2.2890 | |
| 309 | P | A | -1.0074 | |
| 310 | L | A | 0.0802 | |
| 311 | T | A | -0.2246 | |
| 312 | E | A | -0.7173 | |
| 313 | G | A | 0.0000 | |
| 314 | I | A | 0.9809 | |
| 315 | A | A | 0.5728 | |
| 316 | M | A | 0.3654 | |
| 317 | A | A | 0.0000 | |
| 318 | L | A | 0.9529 | |
| 319 | A | A | 0.1410 | |
| 320 | I | A | 0.0000 | |
| 321 | I | A | -0.0961 | |
| 322 | D | A | -0.8131 | |
| 323 | T | A | -0.0957 | |
| 324 | L | A | 0.0000 | |
| 325 | R | A | -1.3844 | |
| 326 | F | A | 1.0708 | |
| 327 | F | A | 0.9631 | |
| 328 | T | A | 0.3808 | |
| 329 | N | A | 0.1618 | |
| 330 | T | A | -0.1647 | |
| 331 | A | A | 0.0363 | |
| 332 | H | A | 0.0000 | |
| 333 | G | A | 0.1863 | |
| 334 | Y | A | 0.0000 | |
| 335 | N | A | -0.0109 | |
| 336 | I | A | -0.2503 | |
| 337 | G | A | -0.6670 | |
| 338 | P | A | -0.9245 | |
| 339 | A | A | 0.0000 | |
| 340 | I | A | -1.0209 | |
| 341 | D | A | -1.9340 | |
| 342 | F | A | 0.0000 | |
| 343 | L | A | 0.0000 | |
| 344 | R | A | -1.7261 | |
| 345 | S | A | -1.0323 | |
| 346 | A | A | -0.5985 | |
| 347 | G | A | -0.7144 | |
| 348 | A | A | -0.7113 | |
| 349 | G | A | -0.9961 | |
| 350 | A | A | -0.8096 | |
| 351 | G | A | -0.7912 | |
| 352 | A | A | -0.6277 | |
| 353 | G | A | -0.9628 | |
| 354 | G | A | -1.2454 | |
| 355 | S | A | -1.4027 | |
| 356 | T | A | -1.5351 | |
| 357 | E | A | -2.2647 | |
| 358 | R | A | -1.3062 | |
| 359 | V | A | -0.0051 | |
| 360 | L | A | 0.0000 | |
| 361 | P | A | -0.6638 | |
| 362 | Y | A | -1.1580 | |
| 363 | D | A | -2.2944 | |
| 364 | R | A | -2.8290 | |
| 365 | N | A | -2.2364 | |
| 366 | I | A | -1.3438 | |
| 367 | V | A | 0.0000 | |
| 368 | P | A | -1.1263 | |
| 369 | Q | A | -1.0008 | |
| 370 | E | A | -1.9294 | |
| 371 | T | A | -1.2691 | |
| 372 | G | A | -1.1746 | |
| 373 | W | A | -1.1549 | |
| 374 | W | A | -0.8658 | |
| 375 | C | A | -0.0710 | |
| 376 | G | A | 0.0000 | |
| 377 | P | A | 0.0000 | |
| 378 | A | A | 0.0000 | |
| 379 | A | A | 0.0000 | |
| 380 | T | A | 0.0000 | |
| 381 | Q | A | 0.3350 | |
| 382 | V | A | 0.0000 | |
| 383 | V | A | 0.0000 | |
| 384 | L | A | 0.0000 | |
| 385 | N | A | 0.0234 | |
| 386 | S | A | 0.0000 | |
| 387 | R | A | -0.1142 | |
| 388 | G | A | 0.0178 | |
| 389 | I | A | 1.1016 | |
| 390 | I | A | 2.0067 | |
| 391 | V | A | 0.0000 | |
| 392 | P | A | 0.0226 | |
| 393 | E | A | 0.0000 | |
| 394 | A | A | -0.6897 | |
| 395 | T | A | -0.5682 | |
| 396 | L | A | 0.0000 | |
| 397 | A | A | 0.0000 | |
| 398 | N | A | -1.9794 | |
| 399 | E | A | -1.3416 | |
| 400 | I | A | 0.0000 | |
| 401 | E | A | -2.6516 | |
| 402 | Q | A | -2.3112 | |
| 403 | I | A | -0.9297 | |
| 404 | E | A | -1.4430 | |
| 405 | N | A | -1.9927 | |
| 406 | P | A | -1.7014 | |
| 407 | G | A | -1.9273 | |
| 408 | R | A | -3.2406 | |
| 409 | G | A | -2.9340 | |
| 410 | D | A | -3.2665 | |
| 411 | D | A | -3.8956 | |
| 412 | R | A | -3.7732 | |
| 413 | D | A | -3.6109 | |
| 414 | G | A | -2.0889 | |
| 415 | T | A | -1.2282 | |
| 416 | D | A | -1.7489 | |
| 417 | Y | A | -0.0859 | |
| 418 | V | A | 0.0000 | |
| 419 | G | A | -0.1493 | |
| 420 | L | A | 0.0000 | |
| 421 | I | A | 0.0000 | |
| 422 | E | A | -1.3559 | |
| 423 | Q | A | -1.7365 | |
| 424 | V | A | 0.0000 | |
| 425 | L | A | 0.0000 | |
| 426 | D | A | -2.8802 | |
| 427 | R | A | -3.0992 | |
| 428 | R | A | -2.0495 | |
| 429 | V | A | 0.0000 | |
| 430 | P | A | -2.6244 | |
| 431 | E | A | -2.8317 | |
| 432 | A | A | 0.0000 | |
| 433 | K | A | -2.8252 | |
| 434 | Y | A | 0.0000 | |
| 435 | T | A | -0.6521 | |
| 436 | S | A | 0.1945 | |
| 437 | V | A | 0.8909 | |
| 438 | Y | A | 1.1519 | |
| 439 | M | A | 0.0000 | |
| 440 | P | A | -0.9807 | |
| 441 | N | A | -1.9345 | |
| 442 | D | A | -2.5361 | |
| 443 | P | A | -1.7496 | |
| 444 | P | A | 0.0000 | |
| 445 | T | A | -0.9699 | |
| 446 | A | A | -0.5591 | |
| 447 | A | A | -0.6379 | |
| 448 | Q | A | -0.8972 | |
| 449 | R | A | -1.7334 | |
| 450 | E | A | -1.8199 | |
| 451 | A | A | -1.0576 | |
| 452 | L | A | 0.0000 | |
| 453 | W | A | 0.0000 | |
| 454 | Q | A | -1.5222 | |
| 455 | N | A | 0.0000 | |
| 456 | I | A | 0.0000 | |
| 457 | V | A | -0.7812 | |
| 458 | R | A | -1.2061 | |
| 459 | S | A | 0.0000 | |
| 460 | I | A | 0.0000 | |
| 461 | N | A | -0.8161 | |
| 462 | A | A | 0.0000 | |
| 463 | G | A | -0.4202 | |
| 464 | W | A | 0.0000 | |
| 465 | G | A | 0.0000 | |
| 466 | V | A | 0.0000 | |
| 467 | I | A | 0.0000 | |
| 468 | M | A | 0.0000 | |
| 469 | N | A | 0.0000 | |
| 470 | W | A | 0.0000 | |
| 471 | V | A | 0.0000 | |
| 472 | A | A | 0.0000 | |
| 473 | P | A | -0.4270 | |
| 474 | P | A | -0.7843 | |
| 475 | S | A | -0.5676 | |
| 476 | N | A | -0.7586 | |
| 477 | K | A | 0.0000 | |
| 478 | P | A | 0.0000 | |
| 479 | R | A | -2.1938 | |
| 480 | G | A | -1.6633 | |
| 481 | V | A | -1.0843 | |
| 482 | K | A | -1.7335 | |
| 483 | G | A | -1.3623 | |
| 484 | S | A | -1.3091 | |
| 485 | P | A | -1.8063 | |
| 486 | N | A | -2.5052 | |
| 487 | P | A | 0.0000 | |
| 488 | K | A | -2.4388 | |
| 489 | Y | A | 0.0000 | |
| 490 | S | A | -1.0067 | |
| 491 | G | A | -0.8727 | |
| 492 | G | A | -0.7449 | |
| 493 | T | A | -0.2729 | |
| 494 | T | A | 0.3081 | |
| 495 | Y | A | 1.0378 | |
| 496 | H | A | 0.0000 | |
| 497 | Y | A | 0.0000 | |
| 498 | V | A | 0.0000 | |
| 499 | A | A | 0.0000 | |
| 500 | C | A | 0.0000 | |
| 501 | M | A | 0.0000 | |
| 502 | G | A | 0.0000 | |
| 503 | Y | A | 0.0000 | |
| 504 | D | A | 0.0000 | |
| 505 | D | A | -1.6158 | |
| 506 | T | A | -1.3143 | |
| 507 | P | A | -1.0062 | |
| 508 | G | A | -1.0386 | |
| 509 | A | A | -1.1320 | |
| 510 | R | A | -1.7113 | |
| 511 | A | A | 0.0000 | |
| 512 | L | A | 0.0000 | |
| 513 | W | A | 0.0194 | |
| 514 | I | A | 0.0000 | |
| 515 | A | A | 0.0000 | |
| 516 | D | A | 0.0000 | |
| 517 | S | A | 0.0000 | |
| 518 | G | A | -0.6250 | |
| 519 | F | A | -0.8600 | |
| 520 | Q | A | -1.4614 | |
| 521 | P | A | -1.0606 | |
| 522 | F | A | -0.6542 | |
| 523 | N | A | -0.4975 | |
| 524 | Y | A | 0.0000 | |
| 525 | W | A | 0.0000 | |
| 526 | I | A | 0.0000 | |
| 527 | S | A | -1.2474 | |
| 528 | F | A | 0.0000 | |
| 529 | D | A | -2.1950 | |
| 530 | Q | A | -1.3785 | |
| 531 | A | A | 0.0000 | |
| 532 | A | A | 0.0000 | |
| 533 | T | A | -1.2077 | |
| 534 | L | A | 0.0000 | |
| 535 | I | A | 0.0000 | |
| 536 | P | A | 0.0000 | |
| 537 | P | A | -1.0301 | |
| 538 | K | A | -0.3462 | |
| 539 | G | A | 0.0000 | |
| 540 | Y | A | 0.0000 | |
| 541 | A | A | 0.0000 | |
| 542 | Y | A | 0.0000 | |
| 543 | A | A | 0.0000 | |
| 544 | A | A | -0.9605 | |
| 545 | T | A | -1.1438 | |
| 546 | T | A | -0.6981 | |
| 547 | A | A | -0.4751 | |
| 548 | T | A | -0.3362 | |
| 549 | A | A | -0.5261 | |
| 550 | P | A | -0.2830 | |
| 551 | A | A | -0.1375 | |
| 552 | P | A | -0.3245 | |
| 553 | A | A | -0.4818 | |
| 554 | P | A | -0.4854 | |
| 555 | A | A | -0.3945 | |
| 556 | P | A | -0.9140 | |
| 557 | V | A | -0.4519 | |
| 558 | D | A | -1.4527 | |
| 559 | A | A | 0.0000 | |
| 560 | A | A | 0.0000 | |
| 561 | P | A | -1.4222 | |
| 562 | I | A | 0.0000 | |
| 563 | L | A | 0.0000 | |
| 564 | A | A | 0.0000 | |
| 565 | R | A | -1.8404 | |
| 566 | A | A | 0.0000 | |
| 567 | A | A | 0.0000 | |
| 568 | G | A | -1.5778 | |
| 569 | I | A | -1.1016 | |
| 570 | S | A | -1.7930 | |
| 571 | E | A | -2.9173 | |
| 572 | A | A | -2.1149 | |
| 573 | K | A | -2.4232 | |
| 574 | A | A | 0.0000 | |
| 575 | R | A | -3.4538 | |
| 576 | E | A | -3.0161 | |
| 577 | I | A | 0.0000 | |
| 578 | L | A | -1.5445 | |
| 579 | P | A | -1.3125 | |
| 580 | T | A | 0.0000 | |
| 581 | F | A | 0.0000 | |
| 582 | R | A | -1.2370 | |
| 583 | D | A | -1.4619 | |
| 584 | G | A | 0.0000 | |
| 585 | L | A | 0.0000 | |
| 586 | R | A | -1.8504 | |
| 587 | L | A | -0.7536 | |
| 588 | A | A | 0.0000 | |
| 589 | E | A | -1.0051 | |
| 590 | C | A | 0.0000 | |
| 591 | N | A | -0.4336 | |
| 592 | N | A | -0.6837 | |
| 593 | V | A | -0.3695 | |
| 594 | P | A | -1.1754 | |
| 595 | R | A | -1.2215 | |
| 596 | I | A | 0.0000 | |
| 597 | A | A | 0.0000 | |
| 598 | M | A | 0.0000 | |
| 599 | F | A | 0.0000 | |
| 600 | I | A | 0.0000 | |
| 601 | A | A | 0.0000 | |
| 602 | Q | A | 0.0000 | |
| 603 | T | A | 0.0000 | |
| 604 | G | A | 0.0000 | |
| 605 | H | A | -0.8586 | |
| 606 | E | A | -1.2075 | |
| 607 | S | A | 0.0000 | |
| 608 | D | A | -2.0700 | |
| 609 | N | A | -1.6627 | |
| 610 | F | A | 0.0000 | |
| 611 | N | A | -1.9007 | |
| 612 | A | A | 0.0000 | |
| 613 | T | A | -0.9264 | |
| 614 | Q | A | -0.9564 | |
| 615 | E | A | -0.2878 | |
| 616 | Y | A | 0.6808 | |
| 617 | D | A | -0.6410 | |
| 618 | H | A | -1.5271 | |
| 619 | G | A | 0.0000 | |
| 620 | R | A | -2.8942 | |
| 621 | N | A | -1.9677 | |
| 622 | Y | A | -0.3852 | |
| 623 | G | A | -1.1948 | |
| 624 | D | A | -1.7320 | |
| 625 | P | A | -2.1587 | |
| 626 | N | A | -2.1234 | |
| 627 | E | A | -1.8318 | |
| 628 | A | A | -1.1598 | |
| 629 | T | A | -1.3314 | |
| 630 | D | A | -1.9091 | |
| 631 | R | A | -1.4350 | |
| 632 | W | A | 0.0000 | |
| 633 | K | A | -1.9053 | |
| 634 | Y | A | 0.0000 | |
| 635 | K | A | 0.0000 | |
| 636 | G | A | 0.0000 | |
| 637 | R | A | 0.0000 | |
| 638 | T | A | 0.0000 | |
| 639 | W | A | 0.0000 | |
| 640 | I | A | 0.0000 | |
| 641 | Q | A | -0.8767 | |
| 642 | I | A | 0.0000 | |
| 643 | T | A | -0.5415 | |
| 644 | W | A | -0.5332 | |
| 645 | R | A | -1.9250 | |
| 646 | G | A | -1.4553 | |
| 647 | N | A | -1.5122 | |
| 648 | Y | A | 0.0000 | |
| 649 | E | A | -2.3562 | |
| 650 | R | A | -2.5763 | |
| 651 | F | A | 0.0000 | |
| 652 | S | A | 0.0000 | |
| 653 | R | A | -1.9734 | |
| 654 | W | A | -1.4085 | |
| 655 | C | A | 0.0000 | |
| 656 | F | A | -0.9502 | |
| 657 | D | A | -2.4037 | |
| 658 | R | A | -2.3589 | |
| 659 | K | A | -2.1827 | |
| 660 | L | A | -0.5777 | |
| 661 | V | A | 0.0000 | |
| 662 | P | A | -0.4101 | |
| 663 | T | A | -0.4388 | |
| 664 | P | A | -1.0512 | |
| 665 | T | A | -0.9045 | |
| 666 | Y | A | -0.4969 | |
| 667 | F | A | 0.0000 | |
| 668 | V | A | -1.6402 | |
| 669 | D | A | -2.0799 | |
| 670 | N | A | -1.6662 | |
| 671 | P | A | -1.7197 | |
| 672 | R | A | -2.4218 | |
| 673 | A | A | -1.4573 | |
| 674 | L | A | 0.0000 | |
| 675 | A | A | -1.2449 | |
| 676 | D | A | -1.3597 | |
| 677 | V | A | -1.0836 | |
| 678 | R | A | -1.8534 | |
| 679 | W | A | -0.7684 | |
| 680 | A | A | 0.0000 | |
| 681 | G | A | 0.0000 | |
| 682 | I | A | 0.0000 | |
| 683 | G | A | 0.0000 | |
| 684 | A | A | 0.0000 | |
| 685 | A | A | 0.0000 | |
| 686 | W | A | 0.0000 | |
| 687 | Y | A | 0.0146 | |
| 688 | W | A | 0.0000 | |
| 689 | T | A | 0.1212 | |
| 690 | V | A | 0.4012 | |
| 691 | E | A | -0.3269 | |
| 692 | R | A | -0.4765 | |
| 693 | P | A | -0.5784 | |
| 694 | S | A | -0.8769 | |
| 695 | I | A | 0.0000 | |
| 696 | N | A | 0.0000 | |
| 697 | R | A | -2.9661 | |
| 698 | L | A | 0.0000 | |
| 699 | C | A | 0.0000 | |
| 700 | D | A | -3.0122 | |
| 701 | E | A | -3.7009 | |
| 702 | R | A | -3.5234 | |
| 703 | N | A | -2.4640 | |
| 704 | L | A | 0.0000 | |
| 705 | T | A | -0.9096 | |
| 706 | E | A | -1.0759 | |
| 707 | V | A | 0.0000 | |
| 708 | T | A | 0.0000 | |
| 709 | R | A | -1.5825 | |
| 710 | L | A | -1.0408 | |
| 711 | I | A | 0.0000 | |
| 712 | N | A | -1.6874 | |
| 713 | G | A | -1.4519 | |
| 714 | G | A | -1.1047 | |
| 715 | T | A | -0.7207 | |
| 716 | S | A | -0.8684 | |
| 717 | W | A | -0.8633 | |
| 718 | E | A | -1.6341 | |
| 719 | A | A | -0.8358 | |
| 720 | P | A | -0.8931 | |
| 721 | T | A | -0.6795 | |
| 722 | W | A | 0.0405 | |
| 723 | M | A | -1.2894 | |
| 724 | K | A | -2.6108 | |
| 725 | H | A | -2.3158 | |
| 726 | R | A | 0.0000 | |
| 727 | K | A | -3.1402 | |
| 728 | E | A | -3.9024 | |
| 729 | R | A | -2.8292 | |
| 730 | Y | A | 0.0000 | |
| 731 | D | A | -2.5450 | |
| 732 | R | A | -2.9375 | |
| 733 | A | A | 0.0000 | |
| 734 | L | A | -0.8171 | |
| 735 | A | A | -0.9224 | |
| 736 | V | A | 0.0000 | |
| 737 | G | A | -0.8160 | |
| 738 | N | A | -1.4750 | |
| 739 | D | A | -1.0844 | |
| 740 | L | A | 0.0000 | |
| 741 | L | A | -0.7993 | |
| 742 | K | A | -1.4921 | |
| 743 | L | A | 0.0000 | |
| 744 | L | A | -2.0006 | |
| 745 | D | A | -3.1013 | |
| 746 | G | A | -2.6110 | |
| 747 | E | A | -3.6658 | |
| 748 | E | A | -4.0778 | |
| 749 | E | A | -3.0088 | |
| 750 | G | A | -0.2929 | |
| 751 | F | A | 1.8211 | |
| 752 | L | A | 1.4401 | |
| 753 | S | A | -0.0632 | |
| 754 | A | A | -0.1854 | |
| 755 | L | A | -0.5576 | |
| 756 | T | A | -1.4515 | |
| 757 | P | A | -1.8839 | |
| 758 | K | A | -3.0521 | |
| 759 | E | A | -2.3256 | |
| 760 | Q | A | -2.2305 | |
| 761 | R | A | -3.5798 | |
| 762 | E | A | -3.6888 | |
| 763 | L | A | -1.6631 | |
| 764 | Y | A | -1.2847 | |
| 765 | D | A | -2.6690 | |
| 766 | E | A | -2.8506 | |
| 767 | I | A | -0.7722 | |
| 768 | M | A | -1.1051 | |
| 769 | K | A | -2.9001 | |
| 770 | R | A | -2.9019 | |
| 771 | G | A | -2.0452 | |
| 772 | P | A | -1.9149 | |
| 773 | S | A | -1.4337 | |
| 774 | R | A | -1.4398 | |
| 775 | S | A | 0.0704 | |
| 776 | F | A | 1.7875 | |
| 777 | L | A | 1.5736 | |
| 778 | A | A | -0.5853 | |
| 779 | D | A | -1.9946 | |
| 780 | D | A | -2.4758 | |
| 781 | G | A | -2.5139 | |
| 782 | R | A | -2.9362 | |
| 783 | Q | A | -2.4636 | |
| 784 | I | A | -0.2806 | |
| 785 | E | A | -0.7290 | |
| 786 | T | A | -0.4545 | |
| 787 | L | A | 0.8230 | |
| 788 | L | A | 1.6087 | |
| 789 | G | A | 0.0000 | |
| 790 | F | A | 1.5866 | |
| 791 | I | A | 2.0998 | |
| 792 | Y | A | 1.5088 | |
| 793 | N | A | 0.1791 | |
| 794 | I | A | 1.1873 | |
| 795 | D | A | -0.3555 | |
| 796 | G | A | -0.1989 | |
| 797 | N | A | -0.3855 | |
| 798 | A | A | 0.7088 | |
| 799 | W | A | 1.3491 | |
| 800 | N | A | 0.7134 | |
| 801 | I | A | 2.5081 | |
| 802 | V | A | 2.9769 | |
| 803 | N | A | 1.0773 | |
| 804 | I | A | 2.1118 | |
| 805 | L | A | 2.6271 | |
| 806 | G | A | 0.0000 | |
| 807 | C | A | 0.0000 | |
| 808 | L | A | 1.1112 | |
| 809 | I | A | 1.5395 | |
| 810 | G | A | 0.0080 | |
| 811 | V | A | 0.1034 | |
| 812 | P | A | -1.4024 | |
| 813 | E | A | -2.9471 | |
| 814 | C | A | -1.5320 | |
| 815 | V | A | -1.7565 | |
| 816 | D | A | -3.6703 | |
| 817 | D | A | -3.5630 | |
| 818 | I | A | 0.0000 | |
| 819 | R | A | -3.8280 | |
| 820 | D | A | -3.4332 | |
| 821 | V | A | -2.8639 | |
| 822 | A | A | 0.0000 | |
| 823 | E | A | -3.3613 | |
| 824 | N | A | -2.9184 | |
| 825 | G | A | -2.4565 | |
| 826 | V | A | -1.8636 | |
| 827 | R | A | -3.0812 | |
| 828 | K | A | -2.9621 | |
| 829 | G | A | -1.6746 | |
| 830 | S | A | -1.0691 | |
| 831 | Y | A | 0.3287 | |
| 832 | A | A | -0.2979 | |
| 833 | E | A | -1.5991 | |
| 834 | S | A | -0.6275 | |
| 835 | N | A | -0.3353 | |
| 836 | P | A | -0.1035 | |
| 837 | W | A | 1.1275 | |
| 838 | L | A | 0.9856 | |
| 839 | A | A | -0.0242 | |
| 840 | Q | A | -0.1906 | |
| 841 | F | A | 1.3807 | |
| 842 | G | A | 0.3836 | |
| 843 | Q | A | -1.6105 | |
| 844 | E | A | -1.7573 | |
| 845 | F | A | -0.3709 | |
| 846 | C | A | 0.0000 | |
| 847 | K | A | -3.0528 | |
| 848 | R | A | -2.5228 | |
| 849 | L | A | 0.0000 | |
| 850 | L | A | -1.1675 | |
| 851 | P | A | -0.9006 | |
| 852 | L | A | -0.0928 | |
| 853 | A | A | -0.0567 | |
| 854 | G | A | -0.0496 | |
| 855 | K | A | -0.9236 | |
| 856 | L | A | 0.5426 | |
| 857 | S | A | -0.1250 | |
| 858 | E | A | -1.3954 | |
| 859 | L | A | 0.5482 | |
| 860 | L | A | 0.3238 | |
| 861 | N | A | -1.3694 | |
| 862 | A | A | -0.7822 | |
| 863 | Q | A | -1.6441 | |
| 864 | E | A | -1.8791 | |
| 865 | F | A | -0.5589 | |
| 866 | K | A | -2.2417 | |
| 867 | V | A | -1.4190 | |
| 868 | T | A | -1.1565 | |
| 869 | H | A | -1.5846 | |
| 870 | N | A | -2.0813 | |
| 871 | R | A | -1.9767 | |
| 872 | I | A | 0.4204 | |
| 873 | I | A | 0.7160 | |
| 874 | E | A | -1.6374 | |
| 875 | Q | A | -1.4182 | |
| 876 | G | A | -0.5662 | |
| 877 | S | A | -0.7101 | |
| 878 | Y | A | -0.5170 | |
| 879 | A | A | -1.6975 | |
| 880 | R | A | -3.5802 | |
| 881 | K | A | -3.1785 | |
| 882 | A | A | -2.8468 | |
| 883 | R | A | -4.5266 | |
| 884 | R | A | -5.0138 | |
| 885 | Q | A | -4.3341 | |
| 886 | A | A | -3.3119 | |
| 887 | R | A | -4.1406 | |
| 888 | R | A | -3.7438 |
Calculations for various pH values
This page contains details and comparisons for all models calculated at different pH points.
Please find suggestions on interpreting the results below. More details can be found in the Tutorial.
The input structure is globular. Max score is recommended for pH analysis.
pH |
Average A4D Score |
Max A4D Score |
|||
| 4.0 | -0.4382 | 6.1266 | View | CSV | PDB |
| 4.5 | -0.507 | 6.1293 | View | CSV | PDB |
| 5.0 | -0.5907 | 6.1368 | View | CSV | PDB |
| 5.5 | -0.6768 | 6.1538 | View | CSV | PDB |
| 6.0 | -0.7535 | 6.1811 | View | CSV | PDB |
| 6.5 | -0.8121 | 6.2089 | View | CSV | PDB |
| 7.0 | -0.8503 | 6.2271 | View | CSV | PDB |
| 7.5 | -0.8723 | 6.2353 | View | CSV | PDB |
| 8.0 | -0.8832 | 6.2383 | View | CSV | PDB |
| 8.5 | -0.8844 | 6.2393 | View | CSV | PDB |
| 9.0 | -0.8746 | 6.2396 | 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