| Chain sequence(s) |
A: MADLVSSCKDKLAYFRIKELKDILNQLGLPKQGKKQDLIDRVLALLTDEQGQRHHGWGRKNSLTKEAVAKIVDDTYRKMQIQCAPDLATRSHSGSDFSFRPIEEAYDSFQPEAKVRCICSSTMVNDSMIQCEDQRCQVWQHLNCVLIPDKPGESAEVPPVFYCELCRLSRADPFWVTAGNPLLPVKFVSSGVTNDGTSVPQSVEKSFQLSRSDRETVQRQEYDLQVWCMLLNDKVQFRMQWPQYAELHVNGISVRVVTRPGSQLLGINGRDDGPLITTCSREGINKICLSRVDARTFCFGVRIAKRRTVAQVLNLVPKEAEGESFEHALARVRRCLGGGDTAENADSDSDLEVVAESVTVNLRCPNSGSRMRIAGRFKPCIHMGCFDLETFVELNQRSRKWQCPICLKNYSLESLMIDPYFNRITSLLRNCNEDVNEVDVKPDGSWRVKGDAASRELSQWHMPDGTLCNPKEDVKPAMQNGNEQMMEGTSDGQKSLKIGIKRNPNGIWEVSSKADDKKPSVVGNRMQNNSGFRALNNIMHMSNSPTSSYRDGEDPSVNQESNRHVDLSLNNGNNEFDSFSLNFGQACNTDDRPQQQHNATDVIVLSDSDEENDAMVCPPAVYDNTTTANGSGFPFTTNGIGYTERYQEDAGVGTSGLGLLSNNVDDFEMNNWQMHSSYQQPEQGFQFFGNDTDVHNTFVGSHNSFGLAPNDYSLDCNVGVEEASVTPALSVCRNSNEMHGSLVDNPLALVGDDPSLQIFLPSQPSSVPLQEELSERANAPNGVQSDDWISLTLAAGGGGNEEPAPADVNSQPQIPSTETGIEPLTDAASAFLSTNIERRSGADLNPRRIENIFSHPRQPRSVRPRLCLSIDTDSE
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 partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:04)
[INFO] FoldX: Starting FoldX energy minimization (00:00:04)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:09:10)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/46dd624fb0fac96/tmp/folded.pdb (00:09:10)
[INFO] Main: Simulation completed successfully. (00:12:40)
|
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 | 0.6386 | |
| 2 | A | A | -0.1351 | |
| 3 | D | A | -1.3340 | |
| 4 | L | A | -0.5329 | |
| 5 | V | A | -0.4038 | |
| 6 | S | A | -1.2808 | |
| 7 | S | A | -1.5087 | |
| 8 | C | A | 0.0000 | |
| 9 | K | A | -2.0155 | |
| 10 | D | A | -2.1652 | |
| 11 | K | A | -1.3637 | |
| 12 | L | A | 0.0000 | |
| 13 | A | A | -0.7135 | |
| 14 | Y | A | 0.4586 | |
| 15 | F | A | 0.0000 | |
| 16 | R | A | -2.1957 | |
| 17 | I | A | -2.3126 | |
| 18 | K | A | -2.5057 | |
| 19 | E | A | 0.0000 | |
| 20 | L | A | 0.0000 | |
| 21 | K | A | -2.5930 | |
| 22 | D | A | -2.1307 | |
| 23 | I | A | 0.0000 | |
| 24 | L | A | 0.0000 | |
| 25 | N | A | -2.5003 | |
| 26 | Q | A | -1.9211 | |
| 27 | L | A | 0.0000 | |
| 28 | G | A | -1.4982 | |
| 29 | L | A | -1.0376 | |
| 30 | P | A | -1.3318 | |
| 31 | K | A | -2.5247 | |
| 32 | Q | A | -2.4154 | |
| 33 | G | A | -2.7361 | |
| 34 | K | A | -3.1543 | |
| 35 | K | A | -3.1278 | |
| 36 | Q | A | -2.9611 | |
| 37 | D | A | -3.3549 | |
| 38 | L | A | 0.0000 | |
| 39 | I | A | 0.0000 | |
| 40 | D | A | -2.2520 | |
| 41 | R | A | -1.3282 | |
| 42 | V | A | 0.0000 | |
| 43 | L | A | -0.7992 | |
| 44 | A | A | -0.8510 | |
| 45 | L | A | -0.3986 | |
| 46 | L | A | 0.0000 | |
| 47 | T | A | -1.1109 | |
| 48 | D | A | -2.9692 | |
| 49 | E | A | -3.4334 | |
| 50 | Q | A | -3.2630 | |
| 51 | G | A | -2.9306 | |
| 52 | Q | A | -3.0711 | |
| 53 | R | A | -3.4863 | |
| 54 | H | A | -2.7270 | |
| 55 | H | A | -2.0590 | |
| 56 | G | A | -1.1003 | |
| 57 | W | A | -0.1524 | |
| 58 | G | A | -1.2648 | |
| 59 | R | A | -2.9906 | |
| 60 | K | A | -3.2018 | |
| 61 | N | A | -2.3977 | |
| 62 | S | A | -1.0559 | |
| 63 | L | A | -0.1618 | |
| 64 | T | A | -0.7093 | |
| 65 | K | A | -1.2140 | |
| 66 | E | A | -2.2616 | |
| 67 | A | A | -1.4313 | |
| 68 | V | A | 0.0000 | |
| 69 | A | A | 0.0000 | |
| 70 | K | A | -2.8301 | |
| 71 | I | A | -2.0081 | |
| 72 | V | A | 0.0000 | |
| 73 | D | A | -2.6882 | |
| 74 | D | A | -3.0570 | |
| 75 | T | A | 0.0000 | |
| 76 | Y | A | -1.6337 | |
| 77 | R | A | -2.9868 | |
| 78 | K | A | -2.2260 | |
| 79 | M | A | -1.1644 | |
| 80 | Q | A | -1.3033 | |
| 81 | I | A | 0.1197 | |
| 82 | Q | A | -1.1484 | |
| 83 | C | A | 0.3151 | |
| 84 | A | A | -0.2525 | |
| 85 | P | A | -0.6501 | |
| 86 | D | A | -1.2513 | |
| 87 | L | A | 0.4120 | |
| 88 | A | A | -0.3028 | |
| 89 | T | A | -0.8882 | |
| 90 | R | A | -2.0577 | |
| 91 | S | A | -1.7093 | |
| 92 | H | A | -1.7745 | |
| 93 | S | A | -1.2103 | |
| 94 | G | A | -1.1223 | |
| 95 | S | A | -0.9199 | |
| 96 | D | A | -0.9009 | |
| 97 | F | A | 1.3299 | |
| 98 | S | A | 0.7368 | |
| 99 | F | A | 1.4256 | |
| 100 | R | A | -0.7609 | |
| 101 | P | A | -0.4613 | |
| 102 | I | A | 0.2895 | |
| 103 | E | A | -1.8239 | |
| 104 | E | A | -2.0496 | |
| 105 | A | A | -0.9034 | |
| 106 | Y | A | 0.0316 | |
| 107 | D | A | -1.0999 | |
| 108 | S | A | -0.1378 | |
| 109 | F | A | 0.6827 | |
| 110 | Q | A | -1.1248 | |
| 111 | P | A | -1.4309 | |
| 112 | E | A | -2.3978 | |
| 113 | A | A | -1.6940 | |
| 114 | K | A | -2.0251 | |
| 115 | V | A | -0.4151 | |
| 116 | R | A | -0.1700 | |
| 117 | C | A | 0.0000 | |
| 118 | I | A | 0.0000 | |
| 119 | C | A | 0.4851 | |
| 120 | S | A | 0.1839 | |
| 121 | S | A | 0.5058 | |
| 122 | T | A | 0.6059 | |
| 123 | M | A | 1.7230 | |
| 124 | V | A | 1.5637 | |
| 125 | N | A | -0.2632 | |
| 126 | D | A | -1.6445 | |
| 127 | S | A | -0.8866 | |
| 128 | M | A | -0.1309 | |
| 129 | I | A | 0.0000 | |
| 130 | Q | A | -0.7752 | |
| 131 | C | A | 0.0000 | |
| 132 | E | A | -2.1169 | |
| 133 | D | A | 0.0000 | |
| 134 | Q | A | -2.7226 | |
| 135 | R | A | -2.7800 | |
| 136 | C | A | -1.9617 | |
| 137 | Q | A | -2.2236 | |
| 138 | V | A | 0.0000 | |
| 139 | W | A | -0.2802 | |
| 140 | Q | A | 0.0000 | |
| 141 | H | A | 0.0000 | |
| 142 | L | A | -0.2330 | |
| 143 | N | A | -0.9698 | |
| 144 | C | A | -0.2455 | |
| 145 | V | A | 0.0000 | |
| 146 | L | A | -0.3240 | |
| 147 | I | A | -1.1909 | |
| 148 | P | A | -2.5473 | |
| 149 | D | A | -3.3391 | |
| 150 | K | A | -3.3339 | |
| 151 | P | A | -2.2183 | |
| 152 | G | A | -2.1783 | |
| 153 | E | A | -3.2714 | |
| 154 | S | A | -2.1098 | |
| 155 | A | A | -1.8650 | |
| 156 | E | A | -1.6643 | |
| 157 | V | A | 0.6383 | |
| 158 | P | A | 0.5675 | |
| 159 | P | A | 0.5158 | |
| 160 | V | A | 1.3404 | |
| 161 | F | A | 0.4910 | |
| 162 | Y | A | -0.0902 | |
| 163 | C | A | 0.0000 | |
| 164 | E | A | 0.0000 | |
| 165 | L | A | 0.3048 | |
| 166 | C | A | 0.0000 | |
| 167 | R | A | -0.1935 | |
| 168 | L | A | 0.0000 | |
| 169 | S | A | 0.0523 | |
| 170 | R | A | 0.0000 | |
| 171 | A | A | 0.0000 | |
| 172 | D | A | 0.0000 | |
| 173 | P | A | 0.0000 | |
| 174 | F | A | 0.0000 | |
| 175 | W | A | -0.5568 | |
| 176 | V | A | -0.0188 | |
| 177 | T | A | -0.1279 | |
| 178 | A | A | -0.1426 | |
| 179 | G | A | -0.2376 | |
| 180 | N | A | -0.2558 | |
| 181 | P | A | -0.3795 | |
| 182 | L | A | 0.1541 | |
| 183 | L | A | 0.9290 | |
| 184 | P | A | 0.0000 | |
| 185 | V | A | 0.5058 | |
| 186 | K | A | 0.3558 | |
| 187 | F | A | 0.0000 | |
| 188 | V | A | 1.5435 | |
| 189 | S | A | 0.5785 | |
| 190 | S | A | 0.7220 | |
| 191 | G | A | 0.5163 | |
| 192 | V | A | 1.0053 | |
| 193 | T | A | -0.4358 | |
| 194 | N | A | -1.9271 | |
| 195 | D | A | -2.3750 | |
| 196 | G | A | -1.1653 | |
| 197 | T | A | -0.3930 | |
| 198 | S | A | 0.6459 | |
| 199 | V | A | 1.6670 | |
| 200 | P | A | 0.6976 | |
| 201 | Q | A | 0.0000 | |
| 202 | S | A | -0.5271 | |
| 203 | V | A | 0.0000 | |
| 204 | E | A | -2.6112 | |
| 205 | K | A | -2.1411 | |
| 206 | S | A | -1.3701 | |
| 207 | F | A | 0.0000 | |
| 208 | Q | A | -1.3888 | |
| 209 | L | A | 0.0000 | |
| 210 | S | A | -2.0691 | |
| 211 | R | A | -3.3046 | |
| 212 | S | A | -2.2944 | |
| 213 | D | A | -2.4931 | |
| 214 | R | A | -3.2504 | |
| 215 | E | A | -3.4528 | |
| 216 | T | A | -2.6548 | |
| 217 | V | A | 0.0000 | |
| 218 | Q | A | -3.1393 | |
| 219 | R | A | -3.4786 | |
| 220 | Q | A | -2.9415 | |
| 221 | E | A | -2.8439 | |
| 222 | Y | A | -2.1279 | |
| 223 | D | A | -1.2857 | |
| 224 | L | A | 0.0000 | |
| 225 | Q | A | 0.0000 | |
| 226 | V | A | 0.0000 | |
| 227 | W | A | 0.0000 | |
| 228 | C | A | 0.0000 | |
| 229 | M | A | 0.0000 | |
| 230 | L | A | 0.0000 | |
| 231 | L | A | 0.0000 | |
| 232 | N | A | -1.3198 | |
| 233 | D | A | -1.4455 | |
| 234 | K | A | -1.8640 | |
| 235 | V | A | 0.0000 | |
| 236 | Q | A | -1.3896 | |
| 237 | F | A | -0.6838 | |
| 238 | R | A | 0.0000 | |
| 239 | M | A | 0.0000 | |
| 240 | Q | A | 0.0000 | |
| 241 | W | A | 0.0000 | |
| 242 | P | A | 0.0000 | |
| 243 | Q | A | 0.1154 | |
| 244 | Y | A | 0.6247 | |
| 245 | A | A | 0.0000 | |
| 246 | E | A | -1.8854 | |
| 247 | L | A | 0.0000 | |
| 248 | H | A | -1.1590 | |
| 249 | V | A | 0.0000 | |
| 250 | N | A | -0.9059 | |
| 251 | G | A | -0.3113 | |
| 252 | I | A | 0.7937 | |
| 253 | S | A | -0.3672 | |
| 254 | V | A | -0.7321 | |
| 255 | R | A | -1.7808 | |
| 256 | V | A | 0.0000 | |
| 257 | V | A | -0.1552 | |
| 258 | T | A | -0.3932 | |
| 259 | R | A | -0.3456 | |
| 260 | P | A | -0.7290 | |
| 261 | G | A | -0.8236 | |
| 262 | S | A | -0.6706 | |
| 263 | Q | A | -1.1200 | |
| 264 | L | A | 0.4038 | |
| 265 | L | A | 0.0000 | |
| 266 | G | A | -0.0424 | |
| 267 | I | A | 0.3321 | |
| 268 | N | A | -1.0004 | |
| 269 | G | A | -0.5610 | |
| 270 | R | A | -0.8180 | |
| 271 | D | A | 0.0000 | |
| 272 | D | A | -1.1661 | |
| 273 | G | A | 0.0000 | |
| 274 | P | A | -0.1888 | |
| 275 | L | A | 0.3953 | |
| 276 | I | A | 0.0000 | |
| 277 | T | A | -0.3846 | |
| 278 | T | A | -0.3743 | |
| 279 | C | A | -0.0674 | |
| 280 | S | A | 0.0000 | |
| 281 | R | A | -2.4087 | |
| 282 | E | A | -2.4140 | |
| 283 | G | A | -0.8304 | |
| 284 | I | A | 0.4805 | |
| 285 | N | A | 0.0000 | |
| 286 | K | A | -2.1339 | |
| 287 | I | A | 0.0000 | |
| 288 | C | A | -1.7437 | |
| 289 | L | A | 0.0000 | |
| 290 | S | A | -0.8289 | |
| 291 | R | A | 0.0000 | |
| 292 | V | A | 0.6193 | |
| 293 | D | A | 0.0000 | |
| 294 | A | A | 0.2089 | |
| 295 | R | A | -0.6187 | |
| 296 | T | A | -0.2242 | |
| 297 | F | A | 0.0000 | |
| 298 | C | A | 0.0000 | |
| 299 | F | A | 0.0000 | |
| 300 | G | A | 0.0000 | |
| 301 | V | A | 0.0000 | |
| 302 | R | A | 0.0000 | |
| 303 | I | A | 0.0000 | |
| 304 | A | A | 0.0000 | |
| 305 | K | A | -1.7232 | |
| 306 | R | A | -2.0823 | |
| 307 | R | A | -1.4592 | |
| 308 | T | A | -1.1053 | |
| 309 | V | A | -0.7453 | |
| 310 | A | A | -0.7683 | |
| 311 | Q | A | -1.4066 | |
| 312 | V | A | 0.0000 | |
| 313 | L | A | -0.7244 | |
| 314 | N | A | -1.3184 | |
| 315 | L | A | -0.4678 | |
| 316 | V | A | -1.0226 | |
| 317 | P | A | -1.8137 | |
| 318 | K | A | -2.6025 | |
| 319 | E | A | -1.8949 | |
| 320 | A | A | -1.6498 | |
| 321 | E | A | -2.6340 | |
| 322 | G | A | -1.8750 | |
| 323 | E | A | 0.0000 | |
| 324 | S | A | -1.2405 | |
| 325 | F | A | -1.2016 | |
| 326 | E | A | -2.1626 | |
| 327 | H | A | -1.6036 | |
| 328 | A | A | 0.0000 | |
| 329 | L | A | -1.5093 | |
| 330 | A | A | -1.6560 | |
| 331 | R | A | -1.2098 | |
| 332 | V | A | 0.0000 | |
| 333 | R | A | -2.4641 | |
| 334 | R | A | -2.8043 | |
| 335 | C | A | -1.0432 | |
| 336 | L | A | -1.1186 | |
| 337 | G | A | -1.8840 | |
| 338 | G | A | -1.8035 | |
| 339 | G | A | -2.4697 | |
| 340 | D | A | -3.1828 | |
| 341 | T | A | -1.9434 | |
| 342 | A | A | -1.8979 | |
| 343 | E | A | -3.3835 | |
| 344 | N | A | -3.4451 | |
| 345 | A | A | -2.4104 | |
| 346 | D | A | -2.9360 | |
| 347 | S | A | -2.5060 | |
| 348 | D | A | -2.7445 | |
| 349 | S | A | -2.0988 | |
| 350 | D | A | -1.9676 | |
| 351 | L | A | 0.2592 | |
| 352 | E | A | -0.2117 | |
| 353 | V | A | 1.7817 | |
| 354 | V | A | 1.7823 | |
| 355 | A | A | 0.3902 | |
| 356 | E | A | -1.2329 | |
| 357 | S | A | -0.5979 | |
| 358 | V | A | 0.5379 | |
| 359 | T | A | -0.2453 | |
| 360 | V | A | -0.5682 | |
| 361 | N | A | -1.5416 | |
| 362 | L | A | 0.0000 | |
| 363 | R | A | -2.3583 | |
| 364 | C | A | 0.0000 | |
| 365 | P | A | -0.9685 | |
| 366 | N | A | -0.7553 | |
| 367 | S | A | -0.7871 | |
| 368 | G | A | -1.0550 | |
| 369 | S | A | -1.6084 | |
| 370 | R | A | -2.2441 | |
| 371 | M | A | 0.0000 | |
| 372 | R | A | -2.3469 | |
| 373 | I | A | -0.7243 | |
| 374 | A | A | 0.0000 | |
| 375 | G | A | 0.0000 | |
| 376 | R | A | 0.0000 | |
| 377 | F | A | 0.0000 | |
| 378 | K | A | -1.6535 | |
| 379 | P | A | -0.6632 | |
| 380 | C | A | 0.0000 | |
| 381 | I | A | 1.2529 | |
| 382 | H | A | 0.1142 | |
| 383 | M | A | 0.0000 | |
| 384 | G | A | -0.0311 | |
| 385 | C | A | 0.0000 | |
| 386 | F | A | 0.0000 | |
| 387 | D | A | 0.0000 | |
| 388 | L | A | 0.0000 | |
| 389 | E | A | -0.8568 | |
| 390 | T | A | -0.7483 | |
| 391 | F | A | 0.0000 | |
| 392 | V | A | 0.0000 | |
| 393 | E | A | -1.2260 | |
| 394 | L | A | -0.7163 | |
| 395 | N | A | 0.0000 | |
| 396 | Q | A | -1.4958 | |
| 397 | R | A | -2.3247 | |
| 398 | S | A | -1.7294 | |
| 399 | R | A | -1.5751 | |
| 400 | K | A | -1.3566 | |
| 401 | W | A | 0.0000 | |
| 402 | Q | A | 0.0000 | |
| 403 | C | A | 0.0000 | |
| 404 | P | A | 0.2840 | |
| 405 | I | A | 0.5563 | |
| 406 | C | A | 0.7987 | |
| 407 | L | A | 0.7893 | |
| 408 | K | A | -1.1043 | |
| 409 | N | A | -0.7827 | |
| 410 | Y | A | -0.8814 | |
| 411 | S | A | 0.0000 | |
| 412 | L | A | 0.0000 | |
| 413 | E | A | -1.8612 | |
| 414 | S | A | -1.4672 | |
| 415 | L | A | 0.0000 | |
| 416 | M | A | 0.0000 | |
| 417 | I | A | -0.7165 | |
| 418 | D | A | 0.0000 | |
| 419 | P | A | 0.0000 | |
| 420 | Y | A | 0.0000 | |
| 421 | F | A | 0.0000 | |
| 422 | N | A | -0.6254 | |
| 423 | R | A | -0.8641 | |
| 424 | I | A | 0.0000 | |
| 425 | T | A | 0.0000 | |
| 426 | S | A | -1.2088 | |
| 427 | L | A | -0.5448 | |
| 428 | L | A | 0.0000 | |
| 429 | R | A | -3.1422 | |
| 430 | N | A | -2.5489 | |
| 431 | C | A | 0.0000 | |
| 432 | N | A | -3.0057 | |
| 433 | E | A | -3.3976 | |
| 434 | D | A | -2.9830 | |
| 435 | V | A | -2.3209 | |
| 436 | N | A | 0.0000 | |
| 437 | E | A | -1.8487 | |
| 438 | V | A | 0.0000 | |
| 439 | D | A | -0.8934 | |
| 440 | V | A | 0.0000 | |
| 441 | K | A | -1.3177 | |
| 442 | P | A | -1.5774 | |
| 443 | D | A | -1.8802 | |
| 444 | G | A | 0.0000 | |
| 445 | S | A | 0.0000 | |
| 446 | W | A | 0.0000 | |
| 447 | R | A | -1.2361 | |
| 448 | V | A | 0.0000 | |
| 449 | K | A | -2.2491 | |
| 450 | G | A | -2.2218 | |
| 451 | D | A | -2.7106 | |
| 452 | A | A | -1.4898 | |
| 453 | A | A | -1.4677 | |
| 454 | S | A | -2.1461 | |
| 455 | R | A | -3.1570 | |
| 456 | E | A | -2.4636 | |
| 457 | L | A | 0.0000 | |
| 458 | S | A | -2.4474 | |
| 459 | Q | A | -2.0590 | |
| 460 | W | A | -0.4858 | |
| 461 | H | A | 0.0000 | |
| 462 | M | A | -0.0901 | |
| 463 | P | A | 0.0000 | |
| 464 | D | A | -1.2287 | |
| 465 | G | A | -0.3736 | |
| 466 | T | A | -0.0476 | |
| 467 | L | A | -0.0915 | |
| 468 | C | A | -0.5516 | |
| 469 | N | A | -2.2224 | |
| 470 | P | A | -2.1948 | |
| 471 | K | A | -3.2910 | |
| 472 | E | A | -3.5261 | |
| 473 | D | A | -2.9927 | |
| 474 | V | A | -1.0121 | |
| 475 | K | A | -1.8001 | |
| 476 | P | A | -0.5930 | |
| 477 | A | A | -0.1619 | |
| 478 | M | A | -0.1249 | |
| 479 | Q | A | -1.4261 | |
| 480 | N | A | -2.3457 | |
| 481 | G | A | -2.3975 | |
| 482 | N | A | -2.9232 | |
| 483 | E | A | -3.0585 | |
| 484 | Q | A | -1.6084 | |
| 485 | M | A | 0.1554 | |
| 486 | M | A | 0.3412 | |
| 487 | E | A | -1.3078 | |
| 488 | G | A | -1.0686 | |
| 489 | T | A | -1.1951 | |
| 490 | S | A | -1.5574 | |
| 491 | D | A | -2.4216 | |
| 492 | G | A | -2.2930 | |
| 493 | Q | A | -2.5305 | |
| 494 | K | A | -2.2816 | |
| 495 | S | A | -0.7816 | |
| 496 | L | A | 0.5009 | |
| 497 | K | A | -0.2051 | |
| 498 | I | A | 1.6564 | |
| 499 | G | A | 0.2695 | |
| 500 | I | A | 0.4301 | |
| 501 | K | A | -1.6166 | |
| 502 | R | A | -2.2168 | |
| 503 | N | A | -1.6890 | |
| 504 | P | A | -1.3459 | |
| 505 | N | A | -1.4122 | |
| 506 | G | A | -1.0780 | |
| 507 | I | A | 0.1801 | |
| 508 | W | A | 0.2526 | |
| 509 | E | A | -0.5518 | |
| 510 | V | A | 1.2234 | |
| 511 | S | A | 0.0958 | |
| 512 | S | A | -0.5061 | |
| 513 | K | A | -2.2144 | |
| 514 | A | A | -2.0748 | |
| 515 | D | A | -3.3360 | |
| 516 | D | A | -3.8601 | |
| 517 | K | A | -3.8378 | |
| 518 | K | A | -3.0469 | |
| 519 | P | A | -1.1260 | |
| 520 | S | A | 0.6541 | |
| 521 | V | A | 2.3378 | |
| 522 | V | A | 2.0217 | |
| 523 | G | A | -0.0492 | |
| 524 | N | A | -1.8819 | |
| 525 | R | A | -2.4000 | |
| 526 | M | A | -1.0250 | |
| 527 | Q | A | -1.8936 | |
| 528 | N | A | -2.3747 | |
| 529 | N | A | -2.4465 | |
| 530 | S | A | -1.0488 | |
| 531 | G | A | -0.2528 | |
| 532 | F | A | 0.7748 | |
| 533 | R | A | -0.5954 | |
| 534 | A | A | -0.1166 | |
| 535 | L | A | 0.2398 | |
| 536 | N | A | -0.6940 | |
| 537 | N | A | -0.3255 | |
| 538 | I | A | 1.4783 | |
| 539 | M | A | 1.5091 | |
| 540 | H | A | 0.4858 | |
| 541 | M | A | 0.6287 | |
| 542 | S | A | -0.5922 | |
| 543 | N | A | -1.2954 | |
| 544 | S | A | -1.0178 | |
| 545 | P | A | -0.7168 | |
| 546 | T | A | -0.3957 | |
| 547 | S | A | -0.1067 | |
| 548 | S | A | -0.1038 | |
| 549 | Y | A | -0.1119 | |
| 550 | R | A | -2.5464 | |
| 551 | D | A | -3.1522 | |
| 552 | G | A | -2.9681 | |
| 553 | E | A | -3.5855 | |
| 554 | D | A | -2.9682 | |
| 555 | P | A | -1.2181 | |
| 556 | S | A | 0.0610 | |
| 557 | V | A | 0.7541 | |
| 558 | N | A | -1.6118 | |
| 559 | Q | A | -2.6041 | |
| 560 | E | A | -3.1915 | |
| 561 | S | A | -2.6262 | |
| 562 | N | A | -2.8608 | |
| 563 | R | A | -2.6227 | |
| 564 | H | A | -1.7208 | |
| 565 | V | A | 0.2428 | |
| 566 | D | A | -0.3236 | |
| 567 | L | A | 1.2795 | |
| 568 | S | A | 0.7549 | |
| 569 | L | A | 0.7925 | |
| 570 | N | A | -1.2477 | |
| 571 | N | A | -2.0291 | |
| 572 | G | A | -2.3039 | |
| 573 | N | A | -2.6171 | |
| 574 | N | A | -2.7200 | |
| 575 | E | A | -2.4407 | |
| 576 | F | A | -0.1348 | |
| 577 | D | A | -1.2166 | |
| 578 | S | A | 0.1921 | |
| 579 | F | A | 1.8049 | |
| 580 | S | A | 1.0587 | |
| 581 | L | A | 1.7152 | |
| 582 | N | A | 0.3321 | |
| 583 | F | A | 1.1790 | |
| 584 | G | A | -0.2266 | |
| 585 | Q | A | -1.0857 | |
| 586 | A | A | -0.2953 | |
| 587 | C | A | -0.1996 | |
| 588 | N | A | -1.4717 | |
| 589 | T | A | -1.9618 | |
| 590 | D | A | -3.3042 | |
| 591 | D | A | -3.5887 | |
| 592 | R | A | -3.3787 | |
| 593 | P | A | -2.3635 | |
| 594 | Q | A | -2.5811 | |
| 595 | Q | A | -2.6767 | |
| 596 | Q | A | -2.8195 | |
| 597 | H | A | -2.4438 | |
| 598 | N | A | -1.9856 | |
| 599 | A | A | -1.2082 | |
| 600 | T | A | -0.6163 | |
| 601 | D | A | -0.2393 | |
| 602 | V | A | 2.4897 | |
| 603 | I | A | 3.6367 | |
| 604 | V | A | 3.4939 | |
| 605 | L | A | 2.4962 | |
| 606 | S | A | 0.1406 | |
| 607 | D | A | -1.9831 | |
| 608 | S | A | -2.5192 | |
| 609 | D | A | -3.8593 | |
| 610 | E | A | -4.3699 | |
| 611 | E | A | -4.2931 | |
| 612 | N | A | -3.6135 | |
| 613 | D | A | -2.8615 | |
| 614 | A | A | -0.4008 | |
| 615 | M | A | 1.5885 | |
| 616 | V | A | 2.5765 | |
| 617 | C | A | 1.5955 | |
| 618 | P | A | 0.4641 | |
| 619 | P | A | 0.5406 | |
| 620 | A | A | 0.9072 | |
| 621 | V | A | 1.7815 | |
| 622 | Y | A | 1.0180 | |
| 623 | D | A | -1.3156 | |
| 624 | N | A | -1.6996 | |
| 625 | T | A | -1.1820 | |
| 626 | T | A | -0.5832 | |
| 627 | T | A | -0.3442 | |
| 628 | A | A | -0.7200 | |
| 629 | N | A | -1.5434 | |
| 630 | G | A | -1.3148 | |
| 631 | S | A | -0.5016 | |
| 632 | G | A | 0.3261 | |
| 633 | F | A | 1.8871 | |
| 634 | P | A | 1.4887 | |
| 635 | F | A | 2.1433 | |
| 636 | T | A | 0.4124 | |
| 637 | T | A | -0.4225 | |
| 638 | N | A | -1.1296 | |
| 639 | G | A | -0.2020 | |
| 640 | I | A | 1.4775 | |
| 641 | G | A | 0.8843 | |
| 642 | Y | A | 1.0985 | |
| 643 | T | A | -0.7989 | |
| 644 | E | A | -2.2160 | |
| 645 | R | A | -2.3495 | |
| 646 | Y | A | -0.9764 | |
| 647 | Q | A | -2.1077 | |
| 648 | E | A | -3.0933 | |
| 649 | D | A | -3.1375 | |
| 650 | A | A | -1.0399 | |
| 651 | G | A | -0.0404 | |
| 652 | V | A | 1.3190 | |
| 653 | G | A | 0.2161 | |
| 654 | T | A | -0.1112 | |
| 655 | S | A | -0.2619 | |
| 656 | G | A | 0.0560 | |
| 657 | L | A | 1.4287 | |
| 658 | G | A | 1.2434 | |
| 659 | L | A | 2.4325 | |
| 660 | L | A | 1.8815 | |
| 661 | S | A | -0.0233 | |
| 662 | N | A | -1.3484 | |
| 663 | N | A | -1.3762 | |
| 664 | V | A | -0.4454 | |
| 665 | D | A | -1.8093 | |
| 666 | D | A | -1.8550 | |
| 667 | F | A | 0.0917 | |
| 668 | E | A | -1.0661 | |
| 669 | M | A | -0.4118 | |
| 670 | N | A | -1.7340 | |
| 671 | N | A | -1.5768 | |
| 672 | W | A | 0.0762 | |
| 673 | Q | A | -0.4756 | |
| 674 | M | A | 0.2811 | |
| 675 | H | A | -0.7411 | |
| 676 | S | A | -0.4693 | |
| 677 | S | A | -0.1085 | |
| 678 | Y | A | 0.0381 | |
| 679 | Q | A | -1.3244 | |
| 680 | Q | A | -1.9598 | |
| 681 | P | A | -2.1628 | |
| 682 | E | A | -3.0354 | |
| 683 | Q | A | -1.9927 | |
| 684 | G | A | -0.7685 | |
| 685 | F | A | 1.3157 | |
| 686 | Q | A | 1.2183 | |
| 687 | F | A | 2.5336 | |
| 688 | F | A | 2.0973 | |
| 689 | G | A | -0.1416 | |
| 690 | N | A | -2.0930 | |
| 691 | D | A | -3.0117 | |
| 692 | T | A | -1.8143 | |
| 693 | D | A | -1.5300 | |
| 694 | V | A | 0.1593 | |
| 695 | H | A | -1.1439 | |
| 696 | N | A | -0.8315 | |
| 697 | T | A | 0.2922 | |
| 698 | F | A | 2.4074 | |
| 699 | V | A | 2.3550 | |
| 700 | G | A | 0.5209 | |
| 701 | S | A | -0.8248 | |
| 702 | H | A | -1.8967 | |
| 703 | N | A | -1.5319 | |
| 704 | S | A | -0.2576 | |
| 705 | F | A | 1.6423 | |
| 706 | G | A | 1.3625 | |
| 707 | L | A | 1.7269 | |
| 708 | A | A | 0.3036 | |
| 709 | P | A | -0.8787 | |
| 710 | N | A | -2.1354 | |
| 711 | D | A | -1.9882 | |
| 712 | Y | A | 0.4381 | |
| 713 | S | A | 0.3428 | |
| 714 | L | A | 0.8017 | |
| 715 | D | A | -0.9283 | |
| 716 | C | A | -0.3109 | |
| 717 | N | A | -0.2594 | |
| 718 | V | A | 1.5092 | |
| 719 | G | A | 0.7159 | |
| 720 | V | A | 0.5662 | |
| 721 | E | A | -2.0903 | |
| 722 | E | A | -2.5049 | |
| 723 | A | A | -0.9587 | |
| 724 | S | A | 0.0354 | |
| 725 | V | A | 1.5888 | |
| 726 | T | A | 0.8048 | |
| 727 | P | A | 0.4454 | |
| 728 | A | A | 0.8151 | |
| 729 | L | A | 1.9320 | |
| 730 | S | A | 1.3610 | |
| 731 | V | A | 1.7875 | |
| 732 | C | A | 0.4506 | |
| 733 | R | A | -1.8581 | |
| 734 | N | A | -2.3720 | |
| 735 | S | A | -2.2130 | |
| 736 | N | A | -2.5213 | |
| 737 | E | A | -2.3770 | |
| 738 | M | A | -0.7387 | |
| 739 | H | A | -1.1663 | |
| 740 | G | A | -0.6854 | |
| 741 | S | A | 0.4298 | |
| 742 | L | A | 1.8281 | |
| 743 | V | A | 1.2552 | |
| 744 | D | A | -1.1897 | |
| 745 | N | A | -1.4856 | |
| 746 | P | A | -0.4783 | |
| 747 | L | A | 1.4646 | |
| 748 | A | A | 1.7745 | |
| 749 | L | A | 2.6384 | |
| 750 | V | A | 1.9574 | |
| 751 | G | A | -0.5279 | |
| 752 | D | A | -2.4734 | |
| 753 | D | A | -2.7910 | |
| 754 | P | A | -1.3212 | |
| 755 | S | A | -0.3024 | |
| 756 | L | A | 1.4037 | |
| 757 | Q | A | 1.0994 | |
| 758 | I | A | 3.1004 | |
| 759 | F | A | 3.4904 | |
| 760 | L | A | 2.5814 | |
| 761 | P | A | 0.6372 | |
| 762 | S | A | -0.1444 | |
| 763 | Q | A | -1.3809 | |
| 764 | P | A | -0.8911 | |
| 765 | S | A | -0.3805 | |
| 766 | S | A | 0.4821 | |
| 767 | V | A | 1.7590 | |
| 768 | P | A | 0.6831 | |
| 769 | L | A | 0.5857 | |
| 770 | Q | A | -1.4396 | |
| 771 | E | A | -2.5398 | |
| 772 | E | A | -2.2778 | |
| 773 | L | A | -0.3831 | |
| 774 | S | A | -1.2820 | |
| 775 | E | A | -2.6753 | |
| 776 | R | A | -3.0559 | |
| 777 | A | A | -1.8231 | |
| 778 | N | A | -1.6884 | |
| 779 | A | A | -1.1306 | |
| 780 | P | A | -1.1958 | |
| 781 | N | A | -1.2301 | |
| 782 | G | A | -0.3761 | |
| 783 | V | A | 0.6214 | |
| 784 | Q | A | -1.2002 | |
| 785 | S | A | -1.6941 | |
| 786 | D | A | -2.6162 | |
| 787 | D | A | -1.8794 | |
| 788 | W | A | 0.7600 | |
| 789 | I | A | 2.2811 | |
| 790 | S | A | 1.9095 | |
| 791 | L | A | 2.1494 | |
| 792 | T | A | 1.3747 | |
| 793 | L | A | 1.8595 | |
| 794 | A | A | 0.7371 | |
| 795 | A | A | 0.1046 | |
| 796 | G | A | -0.7592 | |
| 797 | G | A | -1.0142 | |
| 798 | G | A | -1.2882 | |
| 799 | G | A | -1.7679 | |
| 800 | N | A | -2.8359 | |
| 801 | E | A | -3.4619 | |
| 802 | E | A | -3.0600 | |
| 803 | P | A | -1.6725 | |
| 804 | A | A | -0.5655 | |
| 805 | P | A | -0.5835 | |
| 806 | A | A | -0.5923 | |
| 807 | D | A | -1.1575 | |
| 808 | V | A | 0.2553 | |
| 809 | N | A | -1.1286 | |
| 810 | S | A | -1.1631 | |
| 811 | Q | A | -1.9725 | |
| 812 | P | A | -1.1925 | |
| 813 | Q | A | -0.7326 | |
| 814 | I | A | 1.2366 | |
| 815 | P | A | 0.4588 | |
| 816 | S | A | -0.3259 | |
| 817 | T | A | -1.0958 | |
| 818 | E | A | -2.0240 | |
| 819 | T | A | -0.8502 | |
| 820 | G | A | -0.2562 | |
| 821 | I | A | 0.8762 | |
| 822 | E | A | -0.7470 | |
| 823 | P | A | -0.0408 | |
| 824 | L | A | 0.5951 | |
| 825 | T | A | -0.1174 | |
| 826 | D | A | -1.4642 | |
| 827 | A | A | -0.9692 | |
| 828 | A | A | -0.3855 | |
| 829 | S | A | 0.2653 | |
| 830 | A | A | 1.3641 | |
| 831 | F | A | 2.6202 | |
| 832 | L | A | 2.2188 | |
| 833 | S | A | 0.7612 | |
| 834 | T | A | -0.1150 | |
| 835 | N | A | -0.6224 | |
| 836 | I | A | -0.0528 | |
| 837 | E | A | -2.1983 | |
| 838 | R | A | -3.2835 | |
| 839 | R | A | -3.3447 | |
| 840 | S | A | -1.9548 | |
| 841 | G | A | -1.6792 | |
| 842 | A | A | -0.8546 | |
| 843 | D | A | -1.5259 | |
| 844 | L | A | -0.2407 | |
| 845 | N | A | -1.7211 | |
| 846 | P | A | -1.8378 | |
| 847 | R | A | -2.6070 | |
| 848 | R | A | -2.6284 | |
| 849 | I | A | -0.2780 | |
| 850 | E | A | -1.4359 | |
| 851 | N | A | -0.4298 | |
| 852 | I | A | 1.9984 | |
| 853 | F | A | 1.9302 | |
| 854 | S | A | 0.2822 | |
| 855 | H | A | -0.9915 | |
| 856 | P | A | -1.8107 | |
| 857 | R | A | -3.1877 | |
| 858 | Q | A | -2.9801 | |
| 859 | P | A | -2.0552 | |
| 860 | R | A | -2.5469 | |
| 861 | S | A | -1.0330 | |
| 862 | V | A | 0.0151 | |
| 863 | R | A | -1.6824 | |
| 864 | P | A | -1.0667 | |
| 865 | R | A | -1.0233 | |
| 866 | L | A | 1.1192 | |
| 867 | C | A | 1.8693 | |
| 868 | L | A | 2.3192 | |
| 869 | S | A | 1.4088 | |
| 870 | I | A | 1.3108 | |
| 871 | D | A | -1.2436 | |
| 872 | T | A | -1.5854 | |
| 873 | D | A | -2.5727 | |
| 874 | S | A | -2.2137 | |
| 875 | E | A | -2.3050 |
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 | -0.228 | 6.81 | View | CSV | PDB |
| 4.5 | -0.3209 | 6.81 | View | CSV | PDB |
| 5.0 | -0.4355 | 6.81 | View | CSV | PDB |
| 5.5 | -0.5538 | 6.81 | View | CSV | PDB |
| 6.0 | -0.6591 | 6.81 | View | CSV | PDB |
| 6.5 | -0.7408 | 6.81 | View | CSV | PDB |
| 7.0 | -0.7975 | 6.81 | View | CSV | PDB |
| 7.5 | -0.8362 | 6.81 | View | CSV | PDB |
| 8.0 | -0.8638 | 6.81 | View | CSV | PDB |
| 8.5 | -0.8807 | 6.81 | View | CSV | PDB |
| 9.0 | -0.8835 | 6.81 | 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