| Chain sequence(s) |
A: MQPFLHDGYAVSWNTVEDSIIRTGFQGESGHDIKITAENTPLPIAGVLLPTIPGKLDVNKSKTHISVNGRKIRMRCRAIDGDVTFCRPKSPVYVGNGVHANLHVAFHRSSSEKIHSNEISSDSIGVLGYQKTVDHTKVNSKLSLFFEIKSEAAAKEAAAKEAAAKRKDFVVSFITGALVGSALGLYFKNKVYQKADDLKVKEQELSQKFEERKTQLEETVAYTKERVEGFLNKSKNEQAALKAQQAAIKEEASANNLSDTSQEAQEIQEAKKEAQAETDKSAAVSNEEPKAVALKAQQAAIKEEASANNLSDISQEAQEVQEAKKEAQAEKDSDTLTKDASAAKVEVSKPESQAERLANAAKQKQAKLTPGSKESQLTEALFAEKPVAKNDLKEIPQLVTKKNDVSETETVNIDNKDTVKQKEAKFENGVIEAAAKEAAAKEAAAKADKDKHYFESPLFKGKYSVNNSDLLSTYSKLTGEDEETAKENGITNQQLNLNTLFNNAQAQQSDYSKIAEKYSELIVDKLDDDNFDKGKKEEIKVNGEKYKVRPVTLTLSRADTKKITLAVLEEAKKDKDLKKLMEEQGATKDFEKDIKKAIDDVKETKKDEFAKIQSKIYTEKHTIVKREITITDKENNKTKIKGTNTLEDDKLKLDYALDFDQDKYTYAEAKYTIKGVSSKEKDNKYNDKYEFGKKTEYDESKIKLDNQEKVDGTKRQDKGKITVALDKYSDENEFTFENNIDSDVKNNTQKSTLNIGIKYAEEPINFILKSSTKLKADIDFDDSGAKDFNSLSSKDREKLEKEIEKNGGK
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] (00:00:02)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:02)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:02)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:02)
[INFO] PDB-Info: The input structure is partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:11)
[INFO] FoldX: Starting FoldX energy minimization (00:00:12)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:55:14)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/75e37ad1d7afc7d/tmp/folded.pdb (00:55:14)
[INFO] Main: Simulation completed successfully. (01:15:01)
|
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 | 0.6892 | |
| 2 | Q | A | -0.1578 | |
| 3 | P | A | 0.6059 | |
| 4 | F | A | 1.4235 | |
| 5 | L | A | 1.4754 | |
| 6 | H | A | 0.0896 | |
| 7 | D | A | -1.7295 | |
| 8 | G | A | -1.3810 | |
| 9 | Y | A | 0.0000 | |
| 10 | A | A | -0.0433 | |
| 11 | V | A | 0.0000 | |
| 12 | S | A | -0.4599 | |
| 13 | W | A | -0.9481 | |
| 14 | N | A | -1.4863 | |
| 15 | T | A | -0.4238 | |
| 16 | V | A | 0.5820 | |
| 17 | E | A | -1.2261 | |
| 18 | D | A | -1.5165 | |
| 19 | S | A | -0.8018 | |
| 20 | I | A | -0.8697 | |
| 21 | I | A | -0.9003 | |
| 22 | R | A | -1.6450 | |
| 23 | T | A | -1.0689 | |
| 24 | G | A | -0.8337 | |
| 25 | F | A | 0.3854 | |
| 26 | Q | A | -1.0103 | |
| 27 | G | A | -1.6536 | |
| 28 | E | A | -2.2665 | |
| 29 | S | A | -1.3827 | |
| 30 | G | A | -1.7718 | |
| 31 | H | A | -1.7650 | |
| 32 | D | A | -2.6121 | |
| 33 | I | A | 0.0000 | |
| 34 | K | A | -1.8391 | |
| 35 | I | A | 0.0000 | |
| 36 | T | A | -0.9875 | |
| 37 | A | A | 0.0000 | |
| 38 | E | A | -3.0184 | |
| 39 | N | A | -2.7235 | |
| 40 | T | A | -1.3894 | |
| 41 | P | A | -0.6989 | |
| 42 | L | A | 0.0000 | |
| 43 | P | A | 0.0000 | |
| 44 | I | A | 0.0000 | |
| 45 | A | A | 0.0000 | |
| 46 | G | A | 0.0000 | |
| 47 | V | A | 0.0000 | |
| 48 | L | A | 0.3481 | |
| 49 | L | A | 0.0000 | |
| 50 | P | A | -0.7495 | |
| 51 | T | A | 0.0000 | |
| 52 | I | A | -0.8554 | |
| 53 | P | A | -1.2703 | |
| 54 | G | A | -1.0858 | |
| 55 | K | A | -1.4894 | |
| 56 | L | A | -1.1780 | |
| 57 | D | A | -1.9645 | |
| 58 | V | A | 0.0000 | |
| 59 | N | A | -3.1697 | |
| 60 | K | A | -3.4655 | |
| 61 | S | A | -3.0247 | |
| 62 | K | A | -3.0295 | |
| 63 | T | A | 0.0000 | |
| 64 | H | A | -2.6200 | |
| 65 | I | A | 0.0000 | |
| 66 | S | A | -2.4811 | |
| 67 | V | A | -1.5175 | |
| 68 | N | A | -2.2782 | |
| 69 | G | A | -2.3331 | |
| 70 | R | A | -3.4133 | |
| 71 | K | A | -3.3040 | |
| 72 | I | A | -2.7502 | |
| 73 | R | A | -3.6858 | |
| 74 | M | A | 0.0000 | |
| 75 | R | A | -3.9851 | |
| 76 | C | A | -2.7973 | |
| 77 | R | A | -2.6272 | |
| 78 | A | A | -1.2635 | |
| 79 | I | A | -0.3685 | |
| 80 | D | A | -2.1203 | |
| 81 | G | A | -1.8629 | |
| 82 | D | A | -2.2008 | |
| 83 | V | A | -0.9783 | |
| 84 | T | A | 0.0000 | |
| 85 | F | A | -0.6156 | |
| 86 | C | A | 0.0000 | |
| 87 | R | A | -2.6582 | |
| 88 | P | A | 0.0000 | |
| 89 | K | A | -2.7874 | |
| 90 | S | A | -1.3367 | |
| 91 | P | A | -0.3288 | |
| 92 | V | A | 0.0000 | |
| 93 | Y | A | 1.1296 | |
| 94 | V | A | 0.0000 | |
| 95 | G | A | 0.0000 | |
| 96 | N | A | -2.4550 | |
| 97 | G | A | -1.5509 | |
| 98 | V | A | -0.5933 | |
| 99 | H | A | -1.0776 | |
| 100 | A | A | 0.0000 | |
| 101 | N | A | -2.0468 | |
| 102 | L | A | 0.0000 | |
| 103 | H | A | -1.7361 | |
| 104 | V | A | 0.0000 | |
| 105 | A | A | -1.5866 | |
| 106 | F | A | -1.6721 | |
| 107 | H | A | -2.3115 | |
| 108 | R | A | -1.8238 | |
| 109 | S | A | -1.4947 | |
| 110 | S | A | -1.6304 | |
| 111 | S | A | -1.7187 | |
| 112 | E | A | -3.0293 | |
| 113 | K | A | -2.7462 | |
| 114 | I | A | 0.0000 | |
| 115 | H | A | -2.7497 | |
| 116 | S | A | -2.2262 | |
| 117 | N | A | -2.5125 | |
| 118 | E | A | -2.6714 | |
| 119 | I | A | 0.0000 | |
| 120 | S | A | -1.4840 | |
| 121 | S | A | 0.0000 | |
| 122 | D | A | -1.6958 | |
| 123 | S | A | -0.9017 | |
| 124 | I | A | 0.0000 | |
| 125 | G | A | -0.0900 | |
| 126 | V | A | 0.0000 | |
| 127 | L | A | 0.3239 | |
| 128 | G | A | -0.0893 | |
| 129 | Y | A | 0.1670 | |
| 130 | Q | A | -1.5061 | |
| 131 | K | A | -1.9233 | |
| 132 | T | A | -1.0711 | |
| 133 | V | A | 0.2382 | |
| 134 | D | A | -1.5002 | |
| 135 | H | A | -1.6846 | |
| 136 | T | A | -1.2826 | |
| 137 | K | A | -1.4295 | |
| 138 | V | A | -0.1399 | |
| 139 | N | A | -1.3540 | |
| 140 | S | A | -1.0219 | |
| 141 | K | A | -0.9763 | |
| 142 | L | A | 1.0432 | |
| 143 | S | A | 1.4103 | |
| 144 | L | A | 2.9185 | |
| 145 | F | A | 3.0671 | |
| 146 | F | A | 2.7645 | |
| 147 | E | A | -0.1385 | |
| 148 | I | A | 0.5037 | |
| 149 | K | A | -1.7616 | |
| 150 | S | A | -1.5437 | |
| 151 | E | A | -2.2689 | |
| 152 | A | A | -1.5873 | |
| 153 | A | A | -1.3863 | |
| 154 | A | A | -1.8537 | |
| 155 | K | A | -2.7297 | |
| 156 | E | A | -2.9621 | |
| 157 | A | A | -2.0593 | |
| 158 | A | A | -1.8123 | |
| 159 | A | A | -1.7804 | |
| 160 | K | A | -2.7170 | |
| 161 | E | A | -2.8368 | |
| 162 | A | A | -2.0004 | |
| 163 | A | A | -1.7497 | |
| 164 | A | A | -1.8391 | |
| 165 | K | A | -2.6396 | |
| 166 | R | A | -2.0815 | |
| 167 | K | A | -1.9105 | |
| 168 | D | A | -1.8937 | |
| 169 | F | A | -0.0936 | |
| 170 | V | A | 0.0000 | |
| 171 | V | A | 0.0000 | |
| 172 | S | A | -0.3548 | |
| 173 | F | A | 0.7500 | |
| 174 | I | A | 0.0000 | |
| 175 | T | A | 0.0000 | |
| 176 | G | A | 0.0141 | |
| 177 | A | A | 0.1910 | |
| 178 | L | A | 0.5294 | |
| 179 | V | A | 0.7966 | |
| 180 | G | A | 0.5395 | |
| 181 | S | A | 0.6202 | |
| 182 | A | A | 1.0834 | |
| 183 | L | A | 1.4155 | |
| 184 | G | A | 1.0401 | |
| 185 | L | A | 1.2315 | |
| 186 | Y | A | 0.8435 | |
| 187 | F | A | 1.2965 | |
| 188 | K | A | -0.0605 | |
| 189 | N | A | -0.7630 | |
| 190 | K | A | -1.1472 | |
| 191 | V | A | 0.1497 | |
| 192 | Y | A | -0.3351 | |
| 193 | Q | A | -2.1323 | |
| 194 | K | A | -2.3132 | |
| 195 | A | A | -1.9453 | |
| 196 | D | A | -2.9009 | |
| 197 | D | A | -3.1429 | |
| 198 | L | A | -2.7213 | |
| 199 | K | A | -3.3844 | |
| 200 | V | A | -1.7511 | |
| 201 | K | A | -3.4893 | |
| 202 | E | A | -3.9382 | |
| 203 | Q | A | -3.6039 | |
| 204 | E | A | -3.7386 | |
| 205 | L | A | -3.2228 | |
| 206 | S | A | -3.2119 | |
| 207 | Q | A | -3.9904 | |
| 208 | K | A | -3.9116 | |
| 209 | F | A | -2.9638 | |
| 210 | E | A | -4.0709 | |
| 211 | E | A | -4.2629 | |
| 212 | R | A | -4.0720 | |
| 213 | K | A | -3.8474 | |
| 214 | T | A | -3.4224 | |
| 215 | Q | A | -3.3097 | |
| 216 | L | A | -1.8507 | |
| 217 | E | A | -2.6835 | |
| 218 | E | A | -2.5104 | |
| 219 | T | A | -0.9544 | |
| 220 | V | A | -0.4779 | |
| 221 | A | A | -0.8693 | |
| 222 | Y | A | -0.1470 | |
| 223 | T | A | -1.0987 | |
| 224 | K | A | -2.0170 | |
| 225 | E | A | -2.3798 | |
| 226 | R | A | -1.1250 | |
| 227 | V | A | -0.3035 | |
| 228 | E | A | -1.6541 | |
| 229 | G | A | -0.8660 | |
| 230 | F | A | 0.7185 | |
| 231 | L | A | 0.3835 | |
| 232 | N | A | -1.9938 | |
| 233 | K | A | -2.8994 | |
| 234 | S | A | -2.5334 | |
| 235 | K | A | -3.6121 | |
| 236 | N | A | -3.7131 | |
| 237 | E | A | -3.8772 | |
| 238 | Q | A | -3.0441 | |
| 239 | A | A | -2.0387 | |
| 240 | A | A | -1.5800 | |
| 241 | L | A | -0.8817 | |
| 242 | K | A | -1.9783 | |
| 243 | A | A | -1.0617 | |
| 244 | Q | A | -1.6145 | |
| 245 | Q | A | -2.1068 | |
| 246 | A | A | -1.9097 | |
| 247 | A | A | -1.8080 | |
| 248 | I | A | -1.7244 | |
| 249 | K | A | -3.0522 | |
| 250 | E | A | -3.6118 | |
| 251 | E | A | -3.3004 | |
| 252 | A | A | -2.1507 | |
| 253 | S | A | -2.1340 | |
| 254 | A | A | -2.0297 | |
| 255 | N | A | -2.1562 | |
| 256 | N | A | -1.7472 | |
| 257 | L | A | -0.2965 | |
| 258 | S | A | -0.9755 | |
| 259 | D | A | -2.1734 | |
| 260 | T | A | -1.6888 | |
| 261 | S | A | -2.3442 | |
| 262 | Q | A | -3.0260 | |
| 263 | E | A | -3.3489 | |
| 264 | A | A | -2.6806 | |
| 265 | Q | A | -3.5512 | |
| 266 | E | A | -3.6619 | |
| 267 | I | A | -1.9008 | |
| 268 | Q | A | -3.3262 | |
| 269 | E | A | -4.3117 | |
| 270 | A | A | -3.2984 | |
| 271 | K | A | -3.9908 | |
| 272 | K | A | -4.4426 | |
| 273 | E | A | -4.4349 | |
| 274 | A | A | -3.4324 | |
| 275 | Q | A | -3.8249 | |
| 276 | A | A | -3.4933 | |
| 277 | E | A | -3.8328 | |
| 278 | T | A | -2.9592 | |
| 279 | D | A | -3.5111 | |
| 280 | K | A | -3.1448 | |
| 281 | S | A | -1.5105 | |
| 282 | A | A | -0.5234 | |
| 283 | A | A | 0.4713 | |
| 284 | V | A | 1.4185 | |
| 285 | S | A | -0.5658 | |
| 286 | N | A | -2.3198 | |
| 287 | E | A | -3.6782 | |
| 288 | E | A | -3.3287 | |
| 289 | P | A | -1.7368 | |
| 290 | K | A | -1.9210 | |
| 291 | A | A | -0.6489 | |
| 292 | V | A | 0.5744 | |
| 293 | A | A | -0.0804 | |
| 294 | L | A | 0.2069 | |
| 295 | K | A | -1.0783 | |
| 296 | A | A | -0.6518 | |
| 297 | Q | A | -1.4622 | |
| 298 | Q | A | -1.9789 | |
| 299 | A | A | -1.9672 | |
| 300 | A | A | -1.8320 | |
| 301 | I | A | -1.5142 | |
| 302 | K | A | -2.9373 | |
| 303 | E | A | -3.5561 | |
| 304 | E | A | -3.3781 | |
| 305 | A | A | -2.1266 | |
| 306 | S | A | -2.1427 | |
| 307 | A | A | -2.1414 | |
| 308 | N | A | -2.1413 | |
| 309 | N | A | -1.5105 | |
| 310 | L | A | 0.1903 | |
| 311 | S | A | -0.4680 | |
| 312 | D | A | -1.2908 | |
| 313 | I | A | 0.2941 | |
| 314 | S | A | -1.3454 | |
| 315 | Q | A | -2.4653 | |
| 316 | E | A | -3.0517 | |
| 317 | A | A | -2.3275 | |
| 318 | Q | A | -3.1139 | |
| 319 | E | A | -3.5237 | |
| 320 | V | A | -1.8177 | |
| 321 | Q | A | -3.4746 | |
| 322 | E | A | -3.8990 | |
| 323 | A | A | -3.1828 | |
| 324 | K | A | -4.0037 | |
| 325 | K | A | -4.2605 | |
| 326 | E | A | -4.3160 | |
| 327 | A | A | -3.3123 | |
| 328 | Q | A | -3.3676 | |
| 329 | A | A | -3.1452 | |
| 330 | E | A | -3.7816 | |
| 331 | K | A | -3.9935 | |
| 332 | D | A | -3.5698 | |
| 333 | S | A | -2.7841 | |
| 334 | D | A | -2.2229 | |
| 335 | T | A | -0.2575 | |
| 336 | L | A | 0.7455 | |
| 337 | T | A | -0.5434 | |
| 338 | K | A | -2.3190 | |
| 339 | D | A | -2.6854 | |
| 340 | A | A | -1.3157 | |
| 341 | S | A | -0.6889 | |
| 342 | A | A | -0.2307 | |
| 343 | A | A | -0.5836 | |
| 344 | K | A | -1.1236 | |
| 345 | V | A | 0.5115 | |
| 346 | E | A | -0.8665 | |
| 347 | V | A | 0.5137 | |
| 348 | S | A | -0.8362 | |
| 349 | K | A | -2.2128 | |
| 350 | P | A | -2.1821 | |
| 351 | E | A | -3.6628 | |
| 352 | S | A | -2.6941 | |
| 353 | Q | A | -2.5395 | |
| 354 | A | A | -2.0124 | |
| 355 | E | A | -3.4153 | |
| 356 | R | A | -3.3479 | |
| 357 | L | A | -1.0080 | |
| 358 | A | A | -1.9924 | |
| 359 | N | A | -3.1471 | |
| 360 | A | A | -2.3452 | |
| 361 | A | A | -2.6082 | |
| 362 | K | A | -3.7694 | |
| 363 | Q | A | -3.4556 | |
| 364 | K | A | -3.5970 | |
| 365 | Q | A | -2.9963 | |
| 366 | A | A | -2.2916 | |
| 367 | K | A | -2.7477 | |
| 368 | L | A | -0.7797 | |
| 369 | T | A | -0.8695 | |
| 370 | P | A | -0.9578 | |
| 371 | G | A | -1.4856 | |
| 372 | S | A | -1.9089 | |
| 373 | K | A | -2.8213 | |
| 374 | E | A | -2.8213 | |
| 375 | S | A | -2.1344 | |
| 376 | Q | A | -2.3901 | |
| 377 | L | A | -0.5517 | |
| 378 | T | A | -0.4443 | |
| 379 | E | A | -0.9679 | |
| 380 | A | A | 0.1805 | |
| 381 | L | A | 1.5455 | |
| 382 | F | A | 1.5044 | |
| 383 | A | A | -0.2621 | |
| 384 | E | A | -1.5719 | |
| 385 | K | A | -1.7473 | |
| 386 | P | A | -0.8949 | |
| 387 | V | A | 0.3681 | |
| 388 | A | A | -0.6816 | |
| 389 | K | A | -2.1709 | |
| 390 | N | A | -2.4537 | |
| 391 | D | A | -2.7211 | |
| 392 | L | A | -0.8084 | |
| 393 | K | A | -2.0840 | |
| 394 | E | A | -1.7235 | |
| 395 | I | A | 0.7671 | |
| 396 | P | A | 0.0604 | |
| 397 | Q | A | 0.1985 | |
| 398 | L | A | 1.7909 | |
| 399 | V | A | 1.4483 | |
| 400 | T | A | -0.3266 | |
| 401 | K | A | -2.5150 | |
| 402 | K | A | -3.2379 | |
| 403 | N | A | -2.9758 | |
| 404 | D | A | -2.4963 | |
| 405 | V | A | -0.1384 | |
| 406 | S | A | -1.0705 | |
| 407 | E | A | -2.2503 | |
| 408 | T | A | -1.4967 | |
| 409 | E | A | -1.9653 | |
| 410 | T | A | -0.4955 | |
| 411 | V | A | 0.8593 | |
| 412 | N | A | -0.4530 | |
| 413 | I | A | 0.3378 | |
| 414 | D | A | -2.3866 | |
| 415 | N | A | -2.9433 | |
| 416 | K | A | -3.2414 | |
| 417 | D | A | -3.0595 | |
| 418 | T | A | -1.6062 | |
| 419 | V | A | -0.7051 | |
| 420 | K | A | -2.5517 | |
| 421 | Q | A | -2.8382 | |
| 422 | K | A | -3.5870 | |
| 423 | E | A | -3.7342 | |
| 424 | A | A | -2.3485 | |
| 425 | K | A | -2.8914 | |
| 426 | F | A | -2.0592 | |
| 427 | E | A | -2.9631 | |
| 428 | N | A | -2.9159 | |
| 429 | G | A | -1.3980 | |
| 430 | V | A | -0.6119 | |
| 431 | I | A | 0.8385 | |
| 432 | E | A | -1.8599 | |
| 433 | A | A | -0.9698 | |
| 434 | A | A | -1.7758 | |
| 435 | A | A | -1.7285 | |
| 436 | K | A | -2.7018 | |
| 437 | E | A | -2.7739 | |
| 438 | A | A | -1.5322 | |
| 439 | A | A | -1.4230 | |
| 440 | A | A | -2.0333 | |
| 441 | K | A | -2.5213 | |
| 442 | E | A | -2.7599 | |
| 443 | A | A | -0.8913 | |
| 444 | A | A | -0.8235 | |
| 445 | A | A | 0.0684 | |
| 446 | K | A | -0.6930 | |
| 447 | A | A | -0.8345 | |
| 448 | D | A | -1.9138 | |
| 449 | K | A | -3.2170 | |
| 450 | D | A | -3.2195 | |
| 451 | K | A | -2.3280 | |
| 452 | H | A | 0.0000 | |
| 453 | Y | A | -0.7045 | |
| 454 | F | A | 0.1078 | |
| 455 | E | A | -1.2543 | |
| 456 | S | A | -0.9503 | |
| 457 | P | A | -1.2533 | |
| 458 | L | A | -1.2974 | |
| 459 | F | A | -1.5273 | |
| 460 | K | A | -1.8205 | |
| 461 | G | A | -1.5706 | |
| 462 | K | A | -1.7110 | |
| 463 | Y | A | -0.9856 | |
| 464 | S | A | 0.0000 | |
| 465 | V | A | 0.0000 | |
| 466 | N | A | -1.7831 | |
| 467 | N | A | -1.8893 | |
| 468 | S | A | -1.2780 | |
| 469 | D | A | -1.0003 | |
| 470 | L | A | 0.0000 | |
| 471 | L | A | 0.0000 | |
| 472 | S | A | -1.0499 | |
| 473 | T | A | 0.0000 | |
| 474 | Y | A | -0.2215 | |
| 475 | S | A | 0.0000 | |
| 476 | K | A | -1.4860 | |
| 477 | L | A | -0.1867 | |
| 478 | T | A | -0.3477 | |
| 479 | G | A | -0.9616 | |
| 480 | E | A | -1.3712 | |
| 481 | D | A | -1.9703 | |
| 482 | E | A | -2.6204 | |
| 483 | E | A | -3.3101 | |
| 484 | T | A | -2.6477 | |
| 485 | A | A | 0.0000 | |
| 486 | K | A | -3.3759 | |
| 487 | E | A | -3.6478 | |
| 488 | N | A | -3.1368 | |
| 489 | G | A | -2.5423 | |
| 490 | I | A | -1.9311 | |
| 491 | T | A | -1.6379 | |
| 492 | N | A | -1.3682 | |
| 493 | Q | A | -1.4230 | |
| 494 | Q | A | -1.2550 | |
| 495 | L | A | -0.2341 | |
| 496 | N | A | -0.5041 | |
| 497 | L | A | 0.5318 | |
| 498 | N | A | -0.6569 | |
| 499 | T | A | -0.3256 | |
| 500 | L | A | 1.2959 | |
| 501 | F | A | 1.6997 | |
| 502 | N | A | -0.6609 | |
| 503 | N | A | -1.0294 | |
| 504 | A | A | -0.6163 | |
| 505 | Q | A | -1.8213 | |
| 506 | A | A | -1.9433 | |
| 507 | Q | A | -2.3833 | |
| 508 | Q | A | -2.3135 | |
| 509 | S | A | -1.7443 | |
| 510 | D | A | -2.0715 | |
| 511 | Y | A | -1.4123 | |
| 512 | S | A | -1.8588 | |
| 513 | K | A | -2.3515 | |
| 514 | I | A | 0.0000 | |
| 515 | A | A | -1.7158 | |
| 516 | E | A | -2.9907 | |
| 517 | K | A | -2.6255 | |
| 518 | Y | A | 0.0000 | |
| 519 | S | A | 0.0000 | |
| 520 | E | A | -3.1495 | |
| 521 | L | A | -1.8663 | |
| 522 | I | A | 0.0000 | |
| 523 | V | A | -1.7709 | |
| 524 | D | A | -2.5654 | |
| 525 | K | A | -2.3445 | |
| 526 | L | A | -2.3623 | |
| 527 | D | A | -3.5057 | |
| 528 | D | A | -3.6058 | |
| 529 | D | A | -3.3866 | |
| 530 | N | A | -2.3122 | |
| 531 | F | A | -2.0544 | |
| 532 | D | A | -3.0784 | |
| 533 | K | A | -3.3130 | |
| 534 | G | A | -3.0765 | |
| 535 | K | A | -4.1169 | |
| 536 | K | A | -4.5645 | |
| 537 | E | A | -3.9789 | |
| 538 | E | A | -4.4060 | |
| 539 | I | A | 0.0000 | |
| 540 | K | A | -4.1497 | |
| 541 | V | A | 0.0000 | |
| 542 | N | A | -2.8800 | |
| 543 | G | A | -2.8541 | |
| 544 | E | A | -3.8204 | |
| 545 | K | A | -4.4137 | |
| 546 | Y | A | 0.0000 | |
| 547 | K | A | -4.2702 | |
| 548 | V | A | 0.0000 | |
| 549 | R | A | -3.8912 | |
| 550 | P | A | 0.0000 | |
| 551 | V | A | -1.5100 | |
| 552 | T | A | -1.3131 | |
| 553 | L | A | 0.0000 | |
| 554 | T | A | -1.1200 | |
| 555 | L | A | 0.0000 | |
| 556 | S | A | -1.2087 | |
| 557 | R | A | -2.3432 | |
| 558 | A | A | -1.9271 | |
| 559 | D | A | -1.5893 | |
| 560 | T | A | 0.0000 | |
| 561 | K | A | -2.2393 | |
| 562 | K | A | -2.0356 | |
| 563 | I | A | 0.0000 | |
| 564 | T | A | -0.5000 | |
| 565 | L | A | -1.3396 | |
| 566 | A | A | -1.1019 | |
| 567 | V | A | 0.0000 | |
| 568 | L | A | -0.9992 | |
| 569 | E | A | -2.1850 | |
| 570 | E | A | -1.9568 | |
| 571 | A | A | 0.0000 | |
| 572 | K | A | -3.0007 | |
| 573 | K | A | -3.0898 | |
| 574 | D | A | 0.0000 | |
| 575 | K | A | -2.9818 | |
| 576 | D | A | -2.5365 | |
| 577 | L | A | -2.0563 | |
| 578 | K | A | -2.6380 | |
| 579 | K | A | -3.0062 | |
| 580 | L | A | 0.0000 | |
| 581 | M | A | -1.8352 | |
| 582 | E | A | -2.9829 | |
| 583 | E | A | -3.2336 | |
| 584 | Q | A | -1.8443 | |
| 585 | G | A | -2.3144 | |
| 586 | A | A | -1.8912 | |
| 587 | T | A | -2.4329 | |
| 588 | K | A | -3.2149 | |
| 589 | D | A | -3.6856 | |
| 590 | F | A | -2.8980 | |
| 591 | E | A | -3.5892 | |
| 592 | K | A | -4.1204 | |
| 593 | D | A | -3.4184 | |
| 594 | I | A | 0.0000 | |
| 595 | K | A | -4.1209 | |
| 596 | K | A | -4.1103 | |
| 597 | A | A | -2.9375 | |
| 598 | I | A | 0.0000 | |
| 599 | D | A | -4.4710 | |
| 600 | D | A | -4.2688 | |
| 601 | V | A | -3.5652 | |
| 602 | K | A | -4.3947 | |
| 603 | E | A | -4.1613 | |
| 604 | T | A | -3.6704 | |
| 605 | K | A | -4.0305 | |
| 606 | K | A | -4.0306 | |
| 607 | D | A | -4.1275 | |
| 608 | E | A | -3.7240 | |
| 609 | F | A | -2.5691 | |
| 610 | A | A | -2.2817 | |
| 611 | K | A | -1.8882 | |
| 612 | I | A | 0.0000 | |
| 613 | Q | A | -0.9210 | |
| 614 | S | A | 0.0000 | |
| 615 | K | A | -1.1980 | |
| 616 | I | A | 0.0000 | |
| 617 | Y | A | 0.0000 | |
| 618 | T | A | -1.6127 | |
| 619 | E | A | -2.1376 | |
| 620 | K | A | -2.4071 | |
| 621 | H | A | -2.3172 | |
| 622 | T | A | -1.2809 | |
| 623 | I | A | 0.0000 | |
| 624 | V | A | 0.0000 | |
| 625 | K | A | -1.0674 | |
| 626 | R | A | 0.0000 | |
| 627 | E | A | -1.0712 | |
| 628 | I | A | 0.0000 | |
| 629 | T | A | -0.8544 | |
| 630 | I | A | -0.7139 | |
| 631 | T | A | 0.0000 | |
| 632 | D | A | -3.1240 | |
| 633 | K | A | -4.3367 | |
| 634 | E | A | -4.1612 | |
| 635 | N | A | -3.8416 | |
| 636 | N | A | -3.4570 | |
| 637 | K | A | -2.8557 | |
| 638 | T | A | -1.2789 | |
| 639 | K | A | -1.2611 | |
| 640 | I | A | -0.4986 | |
| 641 | K | A | -1.3932 | |
| 642 | G | A | 0.0000 | |
| 643 | T | A | 0.0000 | |
| 644 | N | A | -0.4851 | |
| 645 | T | A | 0.0000 | |
| 646 | L | A | -0.3588 | |
| 647 | E | A | -2.7230 | |
| 648 | D | A | -3.4297 | |
| 649 | D | A | -3.5744 | |
| 650 | K | A | -2.4772 | |
| 651 | L | A | -0.7804 | |
| 652 | K | A | -1.1099 | |
| 653 | L | A | -0.5550 | |
| 654 | D | A | -1.3121 | |
| 655 | Y | A | -0.4119 | |
| 656 | A | A | -0.4934 | |
| 657 | L | A | -0.2750 | |
| 658 | D | A | -1.6115 | |
| 659 | F | A | -1.8430 | |
| 660 | D | A | -3.8663 | |
| 661 | Q | A | -3.5949 | |
| 662 | D | A | -3.5975 | |
| 663 | K | A | -2.4756 | |
| 664 | Y | A | -0.0151 | |
| 665 | T | A | -0.2875 | |
| 666 | Y | A | 0.4004 | |
| 667 | A | A | -1.3324 | |
| 668 | E | A | -3.1620 | |
| 669 | A | A | -2.0861 | |
| 670 | K | A | -1.9373 | |
| 671 | Y | A | -0.4495 | |
| 672 | T | A | -0.6363 | |
| 673 | I | A | -0.2611 | |
| 674 | K | A | -1.4401 | |
| 675 | G | A | -1.0574 | |
| 676 | V | A | -0.6208 | |
| 677 | S | A | -1.0622 | |
| 678 | S | A | -2.4497 | |
| 679 | K | A | -3.6322 | |
| 680 | E | A | -4.1939 | |
| 681 | K | A | -3.8557 | |
| 682 | D | A | -3.7884 | |
| 683 | N | A | -3.0192 | |
| 684 | K | A | -3.2235 | |
| 685 | Y | A | -2.3900 | |
| 686 | N | A | -1.8313 | |
| 687 | D | A | -1.2645 | |
| 688 | K | A | -1.8327 | |
| 689 | Y | A | -1.0197 | |
| 690 | E | A | -1.0877 | |
| 691 | F | A | -0.0288 | |
| 692 | G | A | -0.8234 | |
| 693 | K | A | -1.4477 | |
| 694 | K | A | -2.9719 | |
| 695 | T | A | -2.0699 | |
| 696 | E | A | -2.0247 | |
| 697 | Y | A | -0.6195 | |
| 698 | D | A | -1.6403 | |
| 699 | E | A | -2.2788 | |
| 700 | S | A | -1.1890 | |
| 701 | K | A | -1.1075 | |
| 702 | I | A | 0.1572 | |
| 703 | K | A | -1.0208 | |
| 704 | L | A | -0.3767 | |
| 705 | D | A | -1.5498 | |
| 706 | N | A | -1.8051 | |
| 707 | Q | A | -2.3608 | |
| 708 | E | A | 0.0000 | |
| 709 | K | A | -2.6310 | |
| 710 | V | A | -2.0696 | |
| 711 | D | A | -3.1311 | |
| 712 | G | A | -1.9888 | |
| 713 | T | A | -1.4646 | |
| 714 | K | A | -2.8070 | |
| 715 | R | A | -2.7554 | |
| 716 | Q | A | -2.5406 | |
| 717 | D | A | 0.0000 | |
| 718 | K | A | -2.7913 | |
| 719 | G | A | -1.6026 | |
| 720 | K | A | -1.1526 | |
| 721 | I | A | -0.3595 | |
| 722 | T | A | 0.0000 | |
| 723 | V | A | -0.7029 | |
| 724 | A | A | 0.0000 | |
| 725 | L | A | 0.1356 | |
| 726 | D | A | -1.3458 | |
| 727 | K | A | -1.9999 | |
| 728 | Y | A | -0.3176 | |
| 729 | S | A | -1.1656 | |
| 730 | D | A | -2.8168 | |
| 731 | E | A | -3.1220 | |
| 732 | N | A | -2.4045 | |
| 733 | E | A | -2.3562 | |
| 734 | F | A | -0.5517 | |
| 735 | T | A | -0.8933 | |
| 736 | F | A | -0.5334 | |
| 737 | E | A | -1.5715 | |
| 738 | N | A | -1.1800 | |
| 739 | N | A | -1.8746 | |
| 740 | I | A | -1.7392 | |
| 741 | D | A | -2.0841 | |
| 742 | S | A | -1.6299 | |
| 743 | D | A | -1.5375 | |
| 744 | V | A | -0.3043 | |
| 745 | K | A | -1.7694 | |
| 746 | N | A | -2.3038 | |
| 747 | N | A | -1.7924 | |
| 748 | T | A | -2.0265 | |
| 749 | Q | A | -1.7223 | |
| 750 | K | A | -2.5545 | |
| 751 | S | A | -1.4084 | |
| 752 | T | A | -0.5012 | |
| 753 | L | A | 0.2445 | |
| 754 | N | A | 0.3001 | |
| 755 | I | A | 0.8591 | |
| 756 | G | A | 0.0000 | |
| 757 | I | A | -0.8463 | |
| 758 | K | A | -2.4853 | |
| 759 | Y | A | -0.6251 | |
| 760 | A | A | -0.9723 | |
| 761 | E | A | -2.7671 | |
| 762 | E | A | -2.8714 | |
| 763 | P | A | -1.7483 | |
| 764 | I | A | -0.3486 | |
| 765 | N | A | -0.0744 | |
| 766 | F | A | 1.7735 | |
| 767 | I | A | 1.5903 | |
| 768 | L | A | 1.2651 | |
| 769 | K | A | -1.0812 | |
| 770 | S | A | -1.6425 | |
| 771 | S | A | -2.2811 | |
| 772 | T | A | -2.1925 | |
| 773 | K | A | -2.5779 | |
| 774 | L | A | -1.6756 | |
| 775 | K | A | -2.2890 | |
| 776 | A | A | -1.8619 | |
| 777 | D | A | -1.9039 | |
| 778 | I | A | -0.4065 | |
| 779 | D | A | -1.9756 | |
| 780 | F | A | 0.0000 | |
| 781 | D | A | -2.9917 | |
| 782 | D | A | -3.0262 | |
| 783 | S | A | -1.9371 | |
| 784 | G | A | -1.6875 | |
| 785 | A | A | -1.7116 | |
| 786 | K | A | -1.6725 | |
| 787 | D | A | -1.2193 | |
| 788 | F | A | 0.0000 | |
| 789 | N | A | -1.1504 | |
| 790 | S | A | -0.9245 | |
| 791 | L | A | 0.0000 | |
| 792 | S | A | -1.8143 | |
| 793 | S | A | -2.4450 | |
| 794 | K | A | -3.4867 | |
| 795 | D | A | -3.7760 | |
| 796 | R | A | -3.5986 | |
| 797 | E | A | -4.2066 | |
| 798 | K | A | -4.5442 | |
| 799 | L | A | 0.0000 | |
| 800 | E | A | -3.6983 | |
| 801 | K | A | -4.4926 | |
| 802 | E | A | -3.3920 | |
| 803 | I | A | -2.8401 | |
| 804 | E | A | -4.0791 | |
| 805 | K | A | -3.8527 | |
| 806 | N | A | -2.6834 | |
| 807 | G | A | -2.4405 | |
| 808 | G | A | -2.5399 | |
| 809 | K | A | -2.6856 |
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 partially or entirely disordered. Average score is recommended for pH analysis.
pH |
Average A4D Score |
Max A4D Score |
|||
| 4.0 | -1.435 | 6.7064 | View | CSV | PDB |
| 4.5 | -1.5817 | 6.5696 | View | CSV | PDB |
| 5.0 | -1.7661 | 6.4232 | View | CSV | PDB |
| 5.5 | -1.9492 | 6.3165 | View | CSV | PDB |
| 6.0 | -2.0847 | 6.2158 | View | CSV | PDB |
| 6.5 | -2.1362 | 6.138 | View | CSV | PDB |
| 7.0 | -2.1003 | 6.0927 | View | CSV | PDB |
| 7.5 | -2.004 | 6.0731 | View | CSV | PDB |
| 8.0 | -1.8756 | 6.066 | View | CSV | PDB |
| 8.5 | -1.7277 | 6.0637 | View | CSV | PDB |
| 9.0 | -1.5621 | 6.063 | 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