| Chain sequence(s) |
A: FDDTAFAATYYTALGNNTFRDLALAHFSQLAQSAFFNNAANAVNNAANFARRCVADPDAFGCDDSAQTAFGSRFCNVPNLSNTYGDAANCCSLNNPNRWQCFLSHADADPGHQSQQFDPQSAHAQYSSDSQAFRRSFFYRVASSYPFFDPTALFYYAQSFVGIFDQCHQSDNVSQCFFPSFGQLQGQIQQQNFGSYMYGYMIQHFGQQTLYMYYVVQYSGRFPSADFDYVQQYVSGATSVYVYNARGDYLAATAGAFSLTDWVCNNYDGISSGLSSCCKKSPYSRYYCIYTVSNDSIPKNVKPYSSSFVNDPNIISKYKKDPKGFLNRFAYSYARQNPDLANIYYMRYVSTYRSKLSSHGKKSDPYSHIKGVYSELDKYKEKFKPVVKKYCEEGKRYGEKGFTYYYYVRVTRKYPEVSVETYVEFSIKYGEYYSICCGYPEEKRYPCFYEYAYLVYTELCAYEYKNPRDPRLREICESSFYTMIENFLSLEPSDDYTPKPFDESKFTFTPKIFELSPEEQFKEKAKWLVELIKTYPNISDEKLEEVLKMFEEFLKKCGSSSDKEACFEKLNPEFIKKVKELHS
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] (00:00:00)
[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 globular. Max score is recommended for pH analysis. (00:00:02)
[INFO] FoldX: Starting FoldX energy minimization (00:00:02)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:15:01)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/f6af3a22614aac9/tmp/folded.pdb (00:15:01)
[INFO] Main: Simulation completed successfully. (00:20:12)
|
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 | F | A | 0.5837 | |
| 2 | D | A | -1.7344 | |
| 3 | D | A | -2.5494 | |
| 4 | T | A | -2.0356 | |
| 5 | A | A | -1.7079 | |
| 6 | F | A | 0.0000 | |
| 7 | A | A | 0.0000 | |
| 8 | A | A | -0.6278 | |
| 9 | T | A | -0.0155 | |
| 10 | Y | A | 0.0000 | |
| 11 | Y | A | -0.5107 | |
| 12 | T | A | -0.2032 | |
| 13 | A | A | -0.0554 | |
| 14 | L | A | 0.0000 | |
| 15 | G | A | -0.9408 | |
| 16 | N | A | -1.9810 | |
| 17 | N | A | -1.9182 | |
| 18 | T | A | 0.0000 | |
| 19 | F | A | 0.0000 | |
| 20 | R | A | -1.2945 | |
| 21 | D | A | 0.0000 | |
| 22 | L | A | 0.0000 | |
| 23 | A | A | 0.0000 | |
| 24 | L | A | 0.0000 | |
| 25 | A | A | 0.0000 | |
| 26 | H | A | 0.0000 | |
| 27 | F | A | 0.0000 | |
| 28 | S | A | 0.0000 | |
| 29 | Q | A | 0.0000 | |
| 30 | L | A | -0.0714 | |
| 31 | A | A | 0.0000 | |
| 32 | Q | A | -0.2863 | |
| 33 | S | A | 0.1781 | |
| 34 | A | A | 0.0000 | |
| 35 | F | A | 1.5423 | |
| 36 | F | A | 0.2217 | |
| 37 | N | A | -0.9880 | |
| 38 | N | A | -0.7725 | |
| 39 | A | A | 0.0000 | |
| 40 | A | A | -1.2234 | |
| 41 | N | A | -2.2103 | |
| 42 | A | A | -1.8261 | |
| 43 | V | A | 0.0000 | |
| 44 | N | A | -2.1575 | |
| 45 | N | A | -2.6090 | |
| 46 | A | A | 0.0000 | |
| 47 | A | A | 0.0000 | |
| 48 | N | A | -2.8013 | |
| 49 | F | A | 0.0000 | |
| 50 | A | A | 0.0000 | |
| 51 | R | A | -2.9905 | |
| 52 | R | A | -2.6769 | |
| 53 | C | A | 0.0000 | |
| 54 | V | A | -0.8110 | |
| 55 | A | A | -1.4487 | |
| 56 | D | A | -2.4865 | |
| 57 | P | A | -2.1166 | |
| 58 | D | A | -2.3497 | |
| 59 | A | A | -0.9641 | |
| 60 | F | A | 0.6434 | |
| 61 | G | A | -0.3028 | |
| 62 | C | A | 0.0000 | |
| 63 | D | A | -2.4588 | |
| 64 | D | A | -1.6256 | |
| 65 | S | A | -1.5980 | |
| 66 | A | A | -0.7569 | |
| 67 | Q | A | -0.8180 | |
| 68 | T | A | -0.9068 | |
| 69 | A | A | 0.0000 | |
| 70 | F | A | 0.0000 | |
| 71 | G | A | 0.0000 | |
| 72 | S | A | -0.6921 | |
| 73 | R | A | -0.9500 | |
| 74 | F | A | 0.0000 | |
| 75 | C | A | -0.8571 | |
| 76 | N | A | -1.4240 | |
| 77 | V | A | -1.0267 | |
| 78 | P | A | -1.2530 | |
| 79 | N | A | -1.9168 | |
| 80 | L | A | -1.5442 | |
| 81 | S | A | -1.8458 | |
| 82 | N | A | -2.0751 | |
| 83 | T | A | -1.0789 | |
| 84 | Y | A | -1.3509 | |
| 85 | G | A | -2.0590 | |
| 86 | D | A | -2.6348 | |
| 87 | A | A | -1.4806 | |
| 88 | A | A | -1.6415 | |
| 89 | N | A | -1.8366 | |
| 90 | C | A | 0.0000 | |
| 91 | C | A | -0.7920 | |
| 92 | S | A | -0.7019 | |
| 93 | L | A | -1.0064 | |
| 94 | N | A | -1.6977 | |
| 95 | N | A | -1.6645 | |
| 96 | P | A | -1.6122 | |
| 97 | N | A | -2.1023 | |
| 98 | R | A | -1.6904 | |
| 99 | W | A | 0.0000 | |
| 100 | Q | A | -1.8600 | |
| 101 | C | A | -1.2596 | |
| 102 | F | A | 0.0000 | |
| 103 | L | A | -0.8547 | |
| 104 | S | A | -0.9569 | |
| 105 | H | A | -1.5709 | |
| 106 | A | A | -0.9999 | |
| 107 | D | A | -2.0700 | |
| 108 | A | A | -1.3944 | |
| 109 | D | A | -2.3333 | |
| 110 | P | A | -1.9179 | |
| 111 | G | A | -2.0589 | |
| 112 | H | A | -2.2612 | |
| 113 | Q | A | -2.3804 | |
| 114 | S | A | -2.1917 | |
| 115 | Q | A | -2.6177 | |
| 116 | Q | A | -2.2743 | |
| 117 | F | A | -1.3491 | |
| 118 | D | A | -2.0339 | |
| 119 | P | A | 0.0000 | |
| 120 | Q | A | -2.1282 | |
| 121 | S | A | -1.3689 | |
| 122 | A | A | -1.1942 | |
| 123 | H | A | -1.6504 | |
| 124 | A | A | -0.9789 | |
| 125 | Q | A | -1.3541 | |
| 126 | Y | A | -1.3812 | |
| 127 | S | A | -1.2229 | |
| 128 | S | A | -1.2327 | |
| 129 | D | A | -1.8174 | |
| 130 | S | A | -1.6118 | |
| 131 | Q | A | -1.6996 | |
| 132 | A | A | -1.1622 | |
| 133 | F | A | 0.0000 | |
| 134 | R | A | -1.2801 | |
| 135 | R | A | -0.8215 | |
| 136 | S | A | -0.5762 | |
| 137 | F | A | 0.0000 | |
| 138 | F | A | 0.0000 | |
| 139 | Y | A | -0.2184 | |
| 140 | R | A | -1.3441 | |
| 141 | V | A | 0.0000 | |
| 142 | A | A | 0.0000 | |
| 143 | S | A | 0.0000 | |
| 144 | S | A | -1.1354 | |
| 145 | Y | A | -0.3663 | |
| 146 | P | A | 0.0000 | |
| 147 | F | A | 0.3303 | |
| 148 | F | A | 0.0000 | |
| 149 | D | A | 0.0000 | |
| 150 | P | A | 0.0000 | |
| 151 | T | A | 0.0000 | |
| 152 | A | A | 0.0000 | |
| 153 | L | A | 0.0000 | |
| 154 | F | A | 0.0000 | |
| 155 | Y | A | -0.0878 | |
| 156 | Y | A | 0.0000 | |
| 157 | A | A | 0.0000 | |
| 158 | Q | A | -1.1510 | |
| 159 | S | A | -0.7593 | |
| 160 | F | A | 0.0000 | |
| 161 | V | A | -1.1604 | |
| 162 | G | A | -1.3542 | |
| 163 | I | A | -0.7858 | |
| 164 | F | A | 0.0000 | |
| 165 | D | A | -2.6173 | |
| 166 | Q | A | -2.2372 | |
| 167 | C | A | 0.0000 | |
| 168 | H | A | -2.2408 | |
| 169 | Q | A | -2.5722 | |
| 170 | S | A | -2.5450 | |
| 171 | D | A | -2.7973 | |
| 172 | N | A | -2.7471 | |
| 173 | V | A | 0.0000 | |
| 174 | S | A | -1.2779 | |
| 175 | Q | A | -1.4342 | |
| 176 | C | A | -0.9181 | |
| 177 | F | A | 0.0000 | |
| 178 | F | A | 0.4906 | |
| 179 | P | A | -0.2293 | |
| 180 | S | A | -0.3930 | |
| 181 | F | A | -0.1741 | |
| 182 | G | A | -0.9051 | |
| 183 | Q | A | -1.5628 | |
| 184 | L | A | 0.0000 | |
| 185 | Q | A | -1.3126 | |
| 186 | G | A | -1.5301 | |
| 187 | Q | A | -1.4396 | |
| 188 | I | A | 0.0000 | |
| 189 | Q | A | -1.2709 | |
| 190 | Q | A | -1.3802 | |
| 191 | Q | A | -0.9744 | |
| 192 | N | A | -0.5200 | |
| 193 | F | A | 0.0000 | |
| 194 | G | A | -0.3063 | |
| 195 | S | A | 0.0000 | |
| 196 | Y | A | 0.1457 | |
| 197 | M | A | 0.0000 | |
| 198 | Y | A | -0.0069 | |
| 199 | G | A | -0.4257 | |
| 200 | Y | A | 0.0000 | |
| 201 | M | A | 0.0000 | |
| 202 | I | A | -1.0571 | |
| 203 | Q | A | -1.5449 | |
| 204 | H | A | -1.2202 | |
| 205 | F | A | -0.7628 | |
| 206 | G | A | -1.0263 | |
| 207 | Q | A | -1.4440 | |
| 208 | Q | A | -1.6517 | |
| 209 | T | A | 0.0000 | |
| 210 | L | A | 0.0000 | |
| 211 | Y | A | -0.6015 | |
| 212 | M | A | 0.0000 | |
| 213 | Y | A | 0.0000 | |
| 214 | Y | A | 0.0000 | |
| 215 | V | A | 0.0000 | |
| 216 | V | A | 0.0000 | |
| 217 | Q | A | -0.3067 | |
| 218 | Y | A | 0.0000 | |
| 219 | S | A | 0.0000 | |
| 220 | G | A | -1.0010 | |
| 221 | R | A | -1.1680 | |
| 222 | F | A | 0.0000 | |
| 223 | P | A | 0.0000 | |
| 224 | S | A | -1.1255 | |
| 225 | A | A | 0.0000 | |
| 226 | D | A | -2.3773 | |
| 227 | F | A | 0.0000 | |
| 228 | D | A | -2.8209 | |
| 229 | Y | A | -1.5575 | |
| 230 | V | A | 0.0000 | |
| 231 | Q | A | -2.0396 | |
| 232 | Q | A | -1.6068 | |
| 233 | Y | A | 0.0000 | |
| 234 | V | A | 0.0000 | |
| 235 | S | A | -0.5515 | |
| 236 | G | A | -0.4367 | |
| 237 | A | A | 0.0000 | |
| 238 | T | A | 0.0000 | |
| 239 | S | A | -0.0362 | |
| 240 | V | A | 0.0000 | |
| 241 | Y | A | 0.0000 | |
| 242 | V | A | -0.3151 | |
| 243 | Y | A | -0.1366 | |
| 244 | N | A | -0.2977 | |
| 245 | A | A | -0.6905 | |
| 246 | R | A | -1.7878 | |
| 247 | G | A | 0.0000 | |
| 248 | D | A | 0.0000 | |
| 249 | Y | A | 0.0000 | |
| 250 | L | A | 0.0000 | |
| 251 | A | A | 0.2388 | |
| 252 | A | A | 0.0000 | |
| 253 | T | A | 0.0000 | |
| 254 | A | A | 0.0000 | |
| 255 | G | A | 0.0652 | |
| 256 | A | A | 0.0000 | |
| 257 | F | A | -0.2802 | |
| 258 | S | A | -0.6256 | |
| 259 | L | A | 0.0000 | |
| 260 | T | A | 0.0000 | |
| 261 | D | A | -1.8655 | |
| 262 | W | A | -1.1270 | |
| 263 | V | A | 0.0000 | |
| 264 | C | A | -1.4939 | |
| 265 | N | A | -1.8799 | |
| 266 | N | A | -1.3859 | |
| 267 | Y | A | -1.0492 | |
| 268 | D | A | -2.0161 | |
| 269 | G | A | -1.6245 | |
| 270 | I | A | 0.0000 | |
| 271 | S | A | 0.0000 | |
| 272 | S | A | -0.8849 | |
| 273 | G | A | -0.7289 | |
| 274 | L | A | 0.0000 | |
| 275 | S | A | -1.0067 | |
| 276 | S | A | -0.8847 | |
| 277 | C | A | 0.0000 | |
| 278 | C | A | -1.5718 | |
| 279 | K | A | -2.2915 | |
| 280 | K | A | -1.9831 | |
| 281 | S | A | -1.0377 | |
| 282 | P | A | -0.7595 | |
| 283 | Y | A | -0.0719 | |
| 284 | S | A | -0.5941 | |
| 285 | R | A | -0.9587 | |
| 286 | Y | A | 0.0000 | |
| 287 | Y | A | 0.1978 | |
| 288 | C | A | 0.0745 | |
| 289 | I | A | 0.0000 | |
| 290 | Y | A | 0.2437 | |
| 291 | T | A | -0.0311 | |
| 292 | V | A | -0.1741 | |
| 293 | S | A | -0.8605 | |
| 294 | N | A | -1.7517 | |
| 295 | D | A | -1.0564 | |
| 296 | S | A | -0.5947 | |
| 297 | I | A | -0.2118 | |
| 298 | P | A | -1.1438 | |
| 299 | K | A | -2.2883 | |
| 300 | N | A | -2.3416 | |
| 301 | V | A | -1.6824 | |
| 302 | K | A | -2.2976 | |
| 303 | P | A | -1.1932 | |
| 304 | Y | A | 0.0000 | |
| 305 | S | A | -0.8679 | |
| 306 | S | A | -1.0384 | |
| 307 | S | A | -1.2014 | |
| 308 | F | A | 0.0000 | |
| 309 | V | A | 0.0000 | |
| 310 | N | A | -1.8534 | |
| 311 | D | A | -1.5211 | |
| 312 | P | A | -1.3733 | |
| 313 | N | A | -1.9266 | |
| 314 | I | A | 0.0000 | |
| 315 | I | A | 0.0000 | |
| 316 | S | A | -2.2435 | |
| 317 | K | A | -2.8633 | |
| 318 | Y | A | -2.8316 | |
| 319 | K | A | -3.3549 | |
| 320 | K | A | -3.5347 | |
| 321 | D | A | -3.0041 | |
| 322 | P | A | -2.7273 | |
| 323 | K | A | -3.0448 | |
| 324 | G | A | -2.1232 | |
| 325 | F | A | 0.0000 | |
| 326 | L | A | 0.0000 | |
| 327 | N | A | -1.5554 | |
| 328 | R | A | -2.4171 | |
| 329 | F | A | 0.0000 | |
| 330 | A | A | 0.0000 | |
| 331 | Y | A | 0.0000 | |
| 332 | S | A | -1.1517 | |
| 333 | Y | A | -0.5000 | |
| 334 | A | A | 0.0000 | |
| 335 | R | A | -0.6822 | |
| 336 | Q | A | -0.8964 | |
| 337 | N | A | -1.0133 | |
| 338 | P | A | -1.4080 | |
| 339 | D | A | -2.3266 | |
| 340 | L | A | -1.0658 | |
| 341 | A | A | -0.5448 | |
| 342 | N | A | -0.4582 | |
| 343 | I | A | 0.0000 | |
| 344 | Y | A | 0.0000 | |
| 345 | Y | A | 0.0000 | |
| 346 | M | A | 0.0000 | |
| 347 | R | A | -0.3803 | |
| 348 | Y | A | 0.0000 | |
| 349 | V | A | 0.0000 | |
| 350 | S | A | -0.7788 | |
| 351 | T | A | 0.0000 | |
| 352 | Y | A | 0.0000 | |
| 353 | R | A | -2.2524 | |
| 354 | S | A | -1.2631 | |
| 355 | K | A | -1.3325 | |
| 356 | L | A | 0.0000 | |
| 357 | S | A | -1.3954 | |
| 358 | S | A | -1.6019 | |
| 359 | H | A | -1.7668 | |
| 360 | G | A | -2.1010 | |
| 361 | K | A | -3.0341 | |
| 362 | K | A | -3.2095 | |
| 363 | S | A | -2.0303 | |
| 364 | D | A | -2.0977 | |
| 365 | P | A | -1.7208 | |
| 366 | Y | A | -1.0066 | |
| 367 | S | A | -1.1282 | |
| 368 | H | A | -1.0482 | |
| 369 | I | A | 0.0000 | |
| 370 | K | A | -1.4602 | |
| 371 | G | A | -0.7755 | |
| 372 | V | A | 0.0000 | |
| 373 | Y | A | -0.4012 | |
| 374 | S | A | -1.3687 | |
| 375 | E | A | -1.6163 | |
| 376 | L | A | 0.0000 | |
| 377 | D | A | -3.6063 | |
| 378 | K | A | -3.8603 | |
| 379 | Y | A | -2.8359 | |
| 380 | K | A | -3.4446 | |
| 381 | E | A | -3.9998 | |
| 382 | K | A | -3.3514 | |
| 383 | F | A | 0.0000 | |
| 384 | K | A | -3.0650 | |
| 385 | P | A | -1.6793 | |
| 386 | V | A | -1.1015 | |
| 387 | V | A | 0.0000 | |
| 388 | K | A | -2.2668 | |
| 389 | K | A | -2.5708 | |
| 390 | Y | A | 0.0000 | |
| 391 | C | A | 0.0000 | |
| 392 | E | A | -3.5129 | |
| 393 | E | A | -2.7093 | |
| 394 | G | A | 0.0000 | |
| 395 | K | A | -3.4661 | |
| 396 | R | A | -3.0336 | |
| 397 | Y | A | -1.5662 | |
| 398 | G | A | -2.2178 | |
| 399 | E | A | -2.8048 | |
| 400 | K | A | -2.3141 | |
| 401 | G | A | -1.4470 | |
| 402 | F | A | 0.0000 | |
| 403 | T | A | 0.0000 | |
| 404 | Y | A | -0.3830 | |
| 405 | Y | A | -0.3712 | |
| 406 | Y | A | 0.0000 | |
| 407 | Y | A | 0.0000 | |
| 408 | V | A | 0.0000 | |
| 409 | R | A | -1.7551 | |
| 410 | V | A | 0.0000 | |
| 411 | T | A | 0.0000 | |
| 412 | R | A | -2.0112 | |
| 413 | K | A | -1.7921 | |
| 414 | Y | A | 0.0000 | |
| 415 | P | A | 0.0000 | |
| 416 | E | A | -2.1134 | |
| 417 | V | A | 0.0000 | |
| 418 | S | A | -1.2441 | |
| 419 | V | A | -1.2431 | |
| 420 | E | A | -2.3025 | |
| 421 | T | A | -1.3259 | |
| 422 | Y | A | 0.0000 | |
| 423 | V | A | 0.0000 | |
| 424 | E | A | -1.3727 | |
| 425 | F | A | 0.0000 | |
| 426 | S | A | 0.0000 | |
| 427 | I | A | -0.6507 | |
| 428 | K | A | -0.6875 | |
| 429 | Y | A | 0.0000 | |
| 430 | G | A | 0.0000 | |
| 431 | E | A | -2.1192 | |
| 432 | Y | A | 0.0000 | |
| 433 | Y | A | -0.9435 | |
| 434 | S | A | -0.9462 | |
| 435 | I | A | 0.0921 | |
| 436 | C | A | 0.0000 | |
| 437 | C | A | -0.8082 | |
| 438 | G | A | -0.3306 | |
| 439 | Y | A | -0.5034 | |
| 440 | P | A | -1.6442 | |
| 441 | E | A | -3.1450 | |
| 442 | E | A | -3.2878 | |
| 443 | K | A | -2.3289 | |
| 444 | R | A | -1.6766 | |
| 445 | Y | A | 0.0000 | |
| 446 | P | A | 0.0000 | |
| 447 | C | A | -0.3524 | |
| 448 | F | A | 0.0000 | |
| 449 | Y | A | 0.0000 | |
| 450 | E | A | -0.1425 | |
| 451 | Y | A | -0.0960 | |
| 452 | A | A | 0.0000 | |
| 453 | Y | A | 0.0000 | |
| 454 | L | A | 0.0000 | |
| 455 | V | A | 0.0000 | |
| 456 | Y | A | 0.0000 | |
| 457 | T | A | 0.0000 | |
| 458 | E | A | -0.4096 | |
| 459 | L | A | 0.0000 | |
| 460 | C | A | 0.0000 | |
| 461 | A | A | -0.4502 | |
| 462 | Y | A | -0.8051 | |
| 463 | E | A | 0.0000 | |
| 464 | Y | A | -1.2106 | |
| 465 | K | A | -2.0019 | |
| 466 | N | A | -1.7041 | |
| 467 | P | A | -1.9381 | |
| 468 | R | A | -2.8160 | |
| 469 | D | A | 0.0000 | |
| 470 | P | A | -1.9072 | |
| 471 | R | A | -1.9312 | |
| 472 | L | A | 0.0000 | |
| 473 | R | A | -2.7894 | |
| 474 | E | A | -3.1821 | |
| 475 | I | A | 0.0000 | |
| 476 | C | A | 0.0000 | |
| 477 | E | A | -2.7786 | |
| 478 | S | A | -1.6194 | |
| 479 | S | A | -0.4988 | |
| 480 | F | A | 0.0000 | |
| 481 | Y | A | 0.1411 | |
| 482 | T | A | -0.0828 | |
| 483 | M | A | 0.0000 | |
| 484 | I | A | 0.0000 | |
| 485 | E | A | 0.0000 | |
| 486 | N | A | -0.7930 | |
| 487 | F | A | 0.0000 | |
| 488 | L | A | -0.1543 | |
| 489 | S | A | -0.7670 | |
| 490 | L | A | -0.9607 | |
| 491 | E | A | -2.3989 | |
| 492 | P | A | -2.3095 | |
| 493 | S | A | -2.3215 | |
| 494 | D | A | -3.1572 | |
| 495 | D | A | -2.6301 | |
| 496 | Y | A | -1.8029 | |
| 497 | T | A | -1.1766 | |
| 498 | P | A | -1.0767 | |
| 499 | K | A | -1.3008 | |
| 500 | P | A | -0.8803 | |
| 501 | F | A | -0.9824 | |
| 502 | D | A | -1.8277 | |
| 503 | E | A | -2.1839 | |
| 504 | S | A | -1.4582 | |
| 505 | K | A | -1.8042 | |
| 506 | F | A | 0.0000 | |
| 507 | T | A | -0.9846 | |
| 508 | F | A | 0.0000 | |
| 509 | T | A | -1.2361 | |
| 510 | P | A | -1.9953 | |
| 511 | K | A | -2.3561 | |
| 512 | I | A | 0.0000 | |
| 513 | F | A | -0.9483 | |
| 514 | E | A | -2.0548 | |
| 515 | L | A | -1.3506 | |
| 516 | S | A | -1.2083 | |
| 517 | P | A | -1.5516 | |
| 518 | E | A | -2.5444 | |
| 519 | E | A | -2.1294 | |
| 520 | Q | A | -2.1001 | |
| 521 | F | A | 0.0000 | |
| 522 | K | A | -2.4432 | |
| 523 | E | A | -2.1631 | |
| 524 | K | A | -1.7181 | |
| 525 | A | A | 0.0000 | |
| 526 | K | A | -1.8629 | |
| 527 | W | A | 0.0000 | |
| 528 | L | A | 0.0000 | |
| 529 | V | A | 0.0000 | |
| 530 | E | A | -0.7821 | |
| 531 | L | A | 0.0000 | |
| 532 | I | A | 0.0000 | |
| 533 | K | A | 0.0000 | |
| 534 | T | A | 0.0000 | |
| 535 | Y | A | 0.0000 | |
| 536 | P | A | -1.1665 | |
| 537 | N | A | -1.8809 | |
| 538 | I | A | -1.5820 | |
| 539 | S | A | -2.5640 | |
| 540 | D | A | -3.7947 | |
| 541 | E | A | -4.1177 | |
| 542 | K | A | -3.6906 | |
| 543 | L | A | 0.0000 | |
| 544 | E | A | -4.0104 | |
| 545 | E | A | -4.0133 | |
| 546 | V | A | 0.0000 | |
| 547 | L | A | -2.5976 | |
| 548 | K | A | -3.6691 | |
| 549 | M | A | -2.7239 | |
| 550 | F | A | 0.0000 | |
| 551 | E | A | -3.8263 | |
| 552 | E | A | -4.0166 | |
| 553 | F | A | 0.0000 | |
| 554 | L | A | -2.3019 | |
| 555 | K | A | -3.5709 | |
| 556 | K | A | -3.1442 | |
| 557 | C | A | 0.0000 | |
| 558 | G | A | -1.7109 | |
| 559 | S | A | -1.5734 | |
| 560 | S | A | -1.8423 | |
| 561 | S | A | -1.4672 | |
| 562 | D | A | -2.6164 | |
| 563 | K | A | -3.0505 | |
| 564 | E | A | -3.4930 | |
| 565 | A | A | -2.5796 | |
| 566 | C | A | -2.5037 | |
| 567 | F | A | 0.0000 | |
| 568 | E | A | -3.2992 | |
| 569 | K | A | -3.0698 | |
| 570 | L | A | -1.9577 | |
| 571 | N | A | 0.0000 | |
| 572 | P | A | -2.2215 | |
| 573 | E | A | -2.8059 | |
| 574 | F | A | 0.0000 | |
| 575 | I | A | -2.3762 | |
| 576 | K | A | -3.5587 | |
| 577 | K | A | -3.2980 | |
| 578 | V | A | 0.0000 | |
| 579 | K | A | -2.9944 | |
| 580 | E | A | -3.3458 | |
| 581 | L | A | -2.1376 | |
| 582 | H | A | -2.0497 | |
| 583 | S | A | -1.2841 |
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 | -0.8952 | 4.3132 | View | CSV | PDB |
| 4.5 | -0.9713 | 4.1392 | View | CSV | PDB |
| 5.0 | -1.0646 | 4.0311 | View | CSV | PDB |
| 5.5 | -1.1576 | 4.0311 | View | CSV | PDB |
| 6.0 | -1.2326 | 4.0311 | View | CSV | PDB |
| 6.5 | -1.2769 | 4.0311 | View | CSV | PDB |
| 7.0 | -1.2899 | 4.0311 | View | CSV | PDB |
| 7.5 | -1.2812 | 4.0311 | View | CSV | PDB |
| 8.0 | -1.2599 | 4.0311 | View | CSV | PDB |
| 8.5 | -1.2288 | 4.0311 | View | CSV | PDB |
| 9.0 | -1.1864 | 4.0311 | 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