| Chain sequence(s) |
A: KQEEKVLQKVTEFVEIKPYVQLGLIRDNLSLSEIIYKNDNNPEYLRKILAKLKEHNNNKSVDNNTSTTKFQEEDLKSDPNSNGSEQDSFEKAKENFLSFFDLRSRLIPIPDLPLYYLKVNSINFDRNIEENEKEKLLKNEQVVLKVDFSLKKVVSDIRAPYLVSSQVRSNYPPVLKASLAKIGKGSNSKVVLLDLGNLSSRFKVQLDYSAKQREIINTLLKENPEREKELQAKIESKTFSPIDLNNDDLLAIEFQYEDNPEGDWITLGRMEKLVKEVIQYKKEGKTFLDDEVAKTLYYLDFHHLPQSKKDLEEYKEKHKNKFINEIKPATPTSQAKTSQAKTSQAKNEKEVKPESAQAESSSSNSSDSNSKTTSSSSMAGTTQNKSTETTNSSSNSTPTSSTTSSTTSSTTQAATTSASSAKVKTTKFQEQVKEQEQEKGKETNQLLDSSKTNKENLGLGLILWDFLVNSKYKTLPGTTWDFLVEPDSFNDRLKITGILKENTSQAKSNPDSKNLTSLTRNLIIKGV
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] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] PDB-Info: The input structure is partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:03)
[INFO] FoldX: Starting FoldX energy minimization (00:00:04)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:19:01)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/439a9c178a1264/tmp/folded.pdb (00:19:01)
[INFO] Main: Simulation completed successfully. (00:24:22)
|
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 | K | A | -3.4541 | |
| 2 | Q | A | -3.4593 | |
| 3 | E | A | -4.2206 | |
| 4 | E | A | -4.1781 | |
| 5 | K | A | -3.3699 | |
| 6 | V | A | -2.5617 | |
| 7 | L | A | -2.8226 | |
| 8 | Q | A | -2.7749 | |
| 9 | K | A | -2.1954 | |
| 10 | V | A | 0.0000 | |
| 11 | T | A | -1.3116 | |
| 12 | E | A | -2.4245 | |
| 13 | F | A | -1.7017 | |
| 14 | V | A | 0.0000 | |
| 15 | E | A | -1.3724 | |
| 16 | I | A | 0.0000 | |
| 17 | K | A | -0.5411 | |
| 18 | P | A | -0.8358 | |
| 19 | Y | A | 0.0000 | |
| 20 | V | A | 0.0000 | |
| 21 | Q | A | 0.0000 | |
| 22 | L | A | 0.0000 | |
| 23 | G | A | 0.0000 | |
| 24 | L | A | 0.0000 | |
| 25 | I | A | 0.0000 | |
| 26 | R | A | -1.2848 | |
| 27 | D | A | -1.5461 | |
| 28 | N | A | -1.4685 | |
| 29 | L | A | -0.7434 | |
| 30 | S | A | 0.0000 | |
| 31 | L | A | 0.0000 | |
| 32 | S | A | 0.0000 | |
| 33 | E | A | -1.4448 | |
| 34 | I | A | 0.0000 | |
| 35 | I | A | 0.0000 | |
| 36 | Y | A | 0.0000 | |
| 37 | K | A | -2.2716 | |
| 38 | N | A | -3.1272 | |
| 39 | D | A | -3.1385 | |
| 40 | N | A | -2.6324 | |
| 41 | N | A | -2.6197 | |
| 42 | P | A | 0.0000 | |
| 43 | E | A | -2.4799 | |
| 44 | Y | A | -1.4092 | |
| 45 | L | A | 0.0000 | |
| 46 | R | A | -2.0618 | |
| 47 | K | A | -1.7750 | |
| 48 | I | A | 0.0000 | |
| 49 | L | A | 0.0000 | |
| 50 | A | A | -1.5520 | |
| 51 | K | A | -1.9446 | |
| 52 | L | A | 0.0000 | |
| 53 | K | A | -2.2789 | |
| 54 | E | A | -2.8359 | |
| 55 | H | A | -2.5097 | |
| 56 | N | A | -2.4579 | |
| 57 | N | A | -2.6765 | |
| 58 | N | A | -2.7026 | |
| 59 | K | A | -2.9251 | |
| 60 | S | A | -2.5137 | |
| 61 | V | A | -0.6658 | |
| 62 | D | A | -2.4257 | |
| 63 | N | A | -2.2201 | |
| 64 | N | A | -2.0952 | |
| 65 | T | A | -1.3830 | |
| 66 | S | A | -0.9421 | |
| 67 | T | A | -0.7807 | |
| 68 | T | A | -1.4893 | |
| 69 | K | A | -2.2327 | |
| 70 | F | A | -0.4494 | |
| 71 | Q | A | -2.1359 | |
| 72 | E | A | -3.1177 | |
| 73 | E | A | -3.6818 | |
| 74 | D | A | -3.4145 | |
| 75 | L | A | -3.0733 | |
| 76 | K | A | -3.7366 | |
| 77 | S | A | -3.3455 | |
| 78 | D | A | -3.0431 | |
| 79 | P | A | -2.3923 | |
| 80 | N | A | -2.4846 | |
| 81 | S | A | -2.2731 | |
| 82 | N | A | -2.5043 | |
| 83 | G | A | -2.2895 | |
| 84 | S | A | -2.2027 | |
| 85 | E | A | -3.2959 | |
| 86 | Q | A | -2.9809 | |
| 87 | D | A | -3.1393 | |
| 88 | S | A | -3.0363 | |
| 89 | F | A | 0.0000 | |
| 90 | E | A | -3.9905 | |
| 91 | K | A | -3.7165 | |
| 92 | A | A | -2.5525 | |
| 93 | K | A | -2.3281 | |
| 94 | E | A | -3.1165 | |
| 95 | N | A | -2.1201 | |
| 96 | F | A | 0.0000 | |
| 97 | L | A | -1.0554 | |
| 98 | S | A | 0.0000 | |
| 99 | F | A | 0.0000 | |
| 100 | F | A | 0.0000 | |
| 101 | D | A | -1.4848 | |
| 102 | L | A | -1.5659 | |
| 103 | R | A | -2.2755 | |
| 104 | S | A | -1.2696 | |
| 105 | R | A | -0.8638 | |
| 106 | L | A | -0.2183 | |
| 107 | I | A | 0.0000 | |
| 108 | P | A | -0.0777 | |
| 109 | I | A | 0.0000 | |
| 110 | P | A | -0.8455 | |
| 111 | D | A | -1.3512 | |
| 112 | L | A | 0.1386 | |
| 113 | P | A | 0.1255 | |
| 114 | L | A | 0.8886 | |
| 115 | Y | A | 0.7549 | |
| 116 | Y | A | 0.4941 | |
| 117 | L | A | 0.0000 | |
| 118 | K | A | -0.9214 | |
| 119 | V | A | 0.0000 | |
| 120 | N | A | -1.3665 | |
| 121 | S | A | -1.1633 | |
| 122 | I | A | 0.0000 | |
| 123 | N | A | -1.7265 | |
| 124 | F | A | 0.0000 | |
| 125 | D | A | 0.0000 | |
| 126 | R | A | -1.9490 | |
| 127 | N | A | -2.1451 | |
| 128 | I | A | -2.5364 | |
| 129 | E | A | -3.8898 | |
| 130 | E | A | -4.4139 | |
| 131 | N | A | -4.0645 | |
| 132 | E | A | -3.8498 | |
| 133 | K | A | -4.3333 | |
| 134 | E | A | -4.4766 | |
| 135 | K | A | -4.3191 | |
| 136 | L | A | 0.0000 | |
| 137 | L | A | -2.7048 | |
| 138 | K | A | -3.5213 | |
| 139 | N | A | -3.2459 | |
| 140 | E | A | -2.0780 | |
| 141 | Q | A | -1.8435 | |
| 142 | V | A | 0.0000 | |
| 143 | V | A | 0.0000 | |
| 144 | L | A | 0.0000 | |
| 145 | K | A | -2.1022 | |
| 146 | V | A | 0.0000 | |
| 147 | D | A | -1.5933 | |
| 148 | F | A | 0.0000 | |
| 149 | S | A | 0.0000 | |
| 150 | L | A | -0.0791 | |
| 151 | K | A | -0.0920 | |
| 152 | K | A | 0.3481 | |
| 153 | V | A | 0.8219 | |
| 154 | V | A | 0.3015 | |
| 155 | S | A | -0.8834 | |
| 156 | D | A | -2.5082 | |
| 157 | I | A | -1.7204 | |
| 158 | R | A | -2.1530 | |
| 159 | A | A | -0.9083 | |
| 160 | P | A | 0.3869 | |
| 161 | Y | A | 0.5482 | |
| 162 | L | A | 0.4648 | |
| 163 | V | A | 1.2948 | |
| 164 | S | A | 0.5066 | |
| 165 | S | A | -0.5604 | |
| 166 | Q | A | -1.2383 | |
| 167 | V | A | -0.4208 | |
| 168 | R | A | -1.2780 | |
| 169 | S | A | -1.6433 | |
| 170 | N | A | -1.7952 | |
| 171 | Y | A | -0.9030 | |
| 172 | P | A | -0.5690 | |
| 173 | P | A | -0.4020 | |
| 174 | V | A | 0.2824 | |
| 175 | L | A | -0.3426 | |
| 176 | K | A | -1.1139 | |
| 177 | A | A | -0.5649 | |
| 178 | S | A | 0.0000 | |
| 179 | L | A | 0.0000 | |
| 180 | A | A | -1.0385 | |
| 181 | K | A | -1.8110 | |
| 182 | I | A | -1.0572 | |
| 183 | G | A | -1.7066 | |
| 184 | K | A | -2.0741 | |
| 185 | G | A | -1.7113 | |
| 186 | S | A | -1.7744 | |
| 187 | N | A | -2.0451 | |
| 188 | S | A | -1.5378 | |
| 189 | K | A | -2.3872 | |
| 190 | V | A | -0.0602 | |
| 191 | V | A | 0.0000 | |
| 192 | L | A | 0.9084 | |
| 193 | L | A | 0.0000 | |
| 194 | D | A | -0.4974 | |
| 195 | L | A | 0.0902 | |
| 196 | G | A | -0.4801 | |
| 197 | N | A | -1.2972 | |
| 198 | L | A | -0.2236 | |
| 199 | S | A | -1.0378 | |
| 200 | S | A | -1.4185 | |
| 201 | R | A | -2.8146 | |
| 202 | F | A | 0.0000 | |
| 203 | K | A | -2.2320 | |
| 204 | V | A | 0.0000 | |
| 205 | Q | A | -0.8101 | |
| 206 | L | A | -0.1741 | |
| 207 | D | A | 0.0000 | |
| 208 | Y | A | -0.2816 | |
| 209 | S | A | 0.0000 | |
| 210 | A | A | -0.9525 | |
| 211 | K | A | -1.4110 | |
| 212 | Q | A | 0.0000 | |
| 213 | R | A | 0.0000 | |
| 214 | E | A | -1.8945 | |
| 215 | I | A | 0.0000 | |
| 216 | I | A | 0.0000 | |
| 217 | N | A | -1.7849 | |
| 218 | T | A | -1.5955 | |
| 219 | L | A | 0.0000 | |
| 220 | L | A | 0.0000 | |
| 221 | K | A | -3.2474 | |
| 222 | E | A | -3.1685 | |
| 223 | N | A | -2.5756 | |
| 224 | P | A | -2.8800 | |
| 225 | E | A | -3.0704 | |
| 226 | R | A | -2.7548 | |
| 227 | E | A | -3.0428 | |
| 228 | K | A | -3.3972 | |
| 229 | E | A | -2.4985 | |
| 230 | L | A | 0.0000 | |
| 231 | Q | A | -1.9272 | |
| 232 | A | A | -1.7268 | |
| 233 | K | A | -1.8549 | |
| 234 | I | A | 0.0000 | |
| 235 | E | A | -2.2090 | |
| 236 | S | A | -1.6372 | |
| 237 | K | A | -2.2105 | |
| 238 | T | A | -1.5592 | |
| 239 | F | A | 0.0000 | |
| 240 | S | A | -0.2684 | |
| 241 | P | A | 0.0834 | |
| 242 | I | A | 1.0215 | |
| 243 | D | A | -0.7642 | |
| 244 | L | A | 0.0000 | |
| 245 | N | A | -1.6690 | |
| 246 | N | A | -1.4560 | |
| 247 | D | A | -1.5637 | |
| 248 | D | A | -1.4753 | |
| 249 | L | A | 0.0000 | |
| 250 | L | A | 0.0000 | |
| 251 | A | A | 0.0000 | |
| 252 | I | A | -0.5307 | |
| 253 | E | A | -1.9570 | |
| 254 | F | A | -1.5661 | |
| 255 | Q | A | -2.4516 | |
| 256 | Y | A | 0.0000 | |
| 257 | E | A | -2.7067 | |
| 258 | D | A | -2.3787 | |
| 259 | N | A | -1.9294 | |
| 260 | P | A | -1.8462 | |
| 261 | E | A | -2.2857 | |
| 262 | G | A | -1.4678 | |
| 263 | D | A | -1.2397 | |
| 264 | W | A | -0.3178 | |
| 265 | I | A | 0.0000 | |
| 266 | T | A | -0.5654 | |
| 267 | L | A | -0.9770 | |
| 268 | G | A | -1.2773 | |
| 269 | R | A | -1.6750 | |
| 270 | M | A | 0.0000 | |
| 271 | E | A | -2.4014 | |
| 272 | K | A | -3.0153 | |
| 273 | L | A | 0.0000 | |
| 274 | V | A | 0.0000 | |
| 275 | K | A | -2.8206 | |
| 276 | E | A | -2.8100 | |
| 277 | V | A | 0.0000 | |
| 278 | I | A | 0.0000 | |
| 279 | Q | A | -2.8152 | |
| 280 | Y | A | -2.6918 | |
| 281 | K | A | -2.6584 | |
| 282 | K | A | -3.4189 | |
| 283 | E | A | -3.3602 | |
| 284 | G | A | -2.4470 | |
| 285 | K | A | -2.2577 | |
| 286 | T | A | -0.9090 | |
| 287 | F | A | 0.0000 | |
| 288 | L | A | -0.8069 | |
| 289 | D | A | -1.2266 | |
| 290 | D | A | -2.2600 | |
| 291 | E | A | -2.4990 | |
| 292 | V | A | 0.0000 | |
| 293 | A | A | 0.0000 | |
| 294 | K | A | -1.5931 | |
| 295 | T | A | 0.0000 | |
| 296 | L | A | 0.0000 | |
| 297 | Y | A | 0.0000 | |
| 298 | Y | A | 0.0000 | |
| 299 | L | A | 0.0000 | |
| 300 | D | A | 0.1791 | |
| 301 | F | A | 0.1686 | |
| 302 | H | A | 0.0000 | |
| 303 | H | A | -0.1711 | |
| 304 | L | A | 0.6885 | |
| 305 | P | A | -0.9875 | |
| 306 | Q | A | -1.6662 | |
| 307 | S | A | -2.4309 | |
| 308 | K | A | -3.7310 | |
| 309 | K | A | -3.8850 | |
| 310 | D | A | -3.2046 | |
| 311 | L | A | 0.0000 | |
| 312 | E | A | -4.2489 | |
| 313 | E | A | -4.0600 | |
| 314 | Y | A | 0.0000 | |
| 315 | K | A | -3.2544 | |
| 316 | E | A | -4.0226 | |
| 317 | K | A | -3.7747 | |
| 318 | H | A | -2.4659 | |
| 319 | K | A | -2.5179 | |
| 320 | N | A | -2.4358 | |
| 321 | K | A | -1.6990 | |
| 322 | F | A | 0.0000 | |
| 323 | I | A | -1.1760 | |
| 324 | N | A | -1.8214 | |
| 325 | E | A | -1.4091 | |
| 326 | I | A | -1.0367 | |
| 327 | K | A | -1.8885 | |
| 328 | P | A | -1.3142 | |
| 329 | A | A | -0.8695 | |
| 330 | T | A | -0.7324 | |
| 331 | P | A | -0.6142 | |
| 332 | T | A | -0.6396 | |
| 333 | S | A | -1.2265 | |
| 334 | Q | A | -1.8609 | |
| 335 | A | A | -1.4980 | |
| 336 | K | A | -2.3713 | |
| 337 | T | A | -1.5712 | |
| 338 | S | A | -1.6454 | |
| 339 | Q | A | -2.0977 | |
| 340 | A | A | -1.4906 | |
| 341 | K | A | -2.3628 | |
| 342 | T | A | -1.5573 | |
| 343 | S | A | -1.6207 | |
| 344 | Q | A | -2.2901 | |
| 345 | A | A | -2.1054 | |
| 346 | K | A | -3.5382 | |
| 347 | N | A | -3.9624 | |
| 348 | E | A | -4.0780 | |
| 349 | K | A | -3.8118 | |
| 350 | E | A | -3.0591 | |
| 351 | V | A | -1.1448 | |
| 352 | K | A | -2.3424 | |
| 353 | P | A | -1.8627 | |
| 354 | E | A | -2.4189 | |
| 355 | S | A | -1.6810 | |
| 356 | A | A | -1.3382 | |
| 357 | Q | A | -1.8571 | |
| 358 | A | A | -1.6161 | |
| 359 | E | A | -2.2407 | |
| 360 | S | A | -1.4680 | |
| 361 | S | A | -0.8918 | |
| 362 | S | A | -0.7696 | |
| 363 | S | A | -1.0725 | |
| 364 | N | A | -1.5940 | |
| 365 | S | A | -1.4603 | |
| 366 | S | A | -1.6191 | |
| 367 | D | A | -2.3310 | |
| 368 | S | A | -1.9041 | |
| 369 | N | A | -2.2295 | |
| 370 | S | A | -1.8219 | |
| 371 | K | A | -2.1310 | |
| 372 | T | A | -1.0838 | |
| 373 | T | A | -0.6209 | |
| 374 | S | A | -0.4217 | |
| 375 | S | A | -0.4977 | |
| 376 | S | A | -0.2601 | |
| 377 | S | A | 0.1991 | |
| 378 | M | A | 0.8321 | |
| 379 | A | A | 0.3065 | |
| 380 | G | A | -0.2751 | |
| 381 | T | A | -0.6025 | |
| 382 | T | A | -1.1067 | |
| 383 | Q | A | -2.2585 | |
| 384 | N | A | -2.8383 | |
| 385 | K | A | -2.7519 | |
| 386 | S | A | -1.7629 | |
| 387 | T | A | -1.4784 | |
| 388 | E | A | -1.9516 | |
| 389 | T | A | -1.3201 | |
| 390 | T | A | -1.1925 | |
| 391 | N | A | -1.4843 | |
| 392 | S | A | -1.0599 | |
| 393 | S | A | -0.9962 | |
| 394 | S | A | -1.0898 | |
| 395 | N | A | -1.5766 | |
| 396 | S | A | -0.9777 | |
| 397 | T | A | -0.6731 | |
| 398 | P | A | -0.5787 | |
| 399 | T | A | -0.4012 | |
| 400 | S | A | -0.4390 | |
| 401 | S | A | -0.4394 | |
| 402 | T | A | -0.3577 | |
| 403 | T | A | -0.3561 | |
| 404 | S | A | -0.4222 | |
| 405 | S | A | -0.4236 | |
| 406 | T | A | -0.3620 | |
| 407 | T | A | -0.3620 | |
| 408 | S | A | -0.4261 | |
| 409 | S | A | -0.5576 | |
| 410 | T | A | -0.6132 | |
| 411 | T | A | -0.7444 | |
| 412 | Q | A | -1.2454 | |
| 413 | A | A | -0.5540 | |
| 414 | A | A | -0.3565 | |
| 415 | T | A | -0.2878 | |
| 416 | T | A | -0.1948 | |
| 417 | S | A | -0.3301 | |
| 418 | A | A | -0.2316 | |
| 419 | S | A | -0.5960 | |
| 420 | S | A | -0.5502 | |
| 421 | A | A | -0.6293 | |
| 422 | K | A | -1.4258 | |
| 423 | V | A | 0.0686 | |
| 424 | K | A | -1.6678 | |
| 425 | T | A | -1.0958 | |
| 426 | T | A | -1.0538 | |
| 427 | K | A | -1.9544 | |
| 428 | F | A | 0.0616 | |
| 429 | Q | A | -1.4071 | |
| 430 | E | A | -3.1325 | |
| 431 | Q | A | -3.0991 | |
| 432 | V | A | -2.3437 | |
| 433 | K | A | -4.6508 | |
| 434 | E | A | -5.3819 | |
| 435 | Q | A | -5.0250 | |
| 436 | E | A | -5.6055 | |
| 437 | Q | A | -5.7121 | |
| 438 | E | A | -5.8268 | |
| 439 | K | A | -5.5628 | |
| 440 | G | A | -4.7778 | |
| 441 | K | A | -4.8964 | |
| 442 | E | A | -4.0814 | |
| 443 | T | A | -2.7779 | |
| 444 | N | A | -2.8522 | |
| 445 | Q | A | -2.3209 | |
| 446 | L | A | -0.2817 | |
| 447 | L | A | -0.3526 | |
| 448 | D | A | -2.0538 | |
| 449 | S | A | -1.3282 | |
| 450 | S | A | -1.7587 | |
| 451 | K | A | -2.8184 | |
| 452 | T | A | -2.6134 | |
| 453 | N | A | -3.4138 | |
| 454 | K | A | -3.9588 | |
| 455 | E | A | -3.5952 | |
| 456 | N | A | -2.7155 | |
| 457 | L | A | -1.2054 | |
| 458 | G | A | -0.3314 | |
| 459 | L | A | 0.0000 | |
| 460 | G | A | 0.0000 | |
| 461 | L | A | 0.0000 | |
| 462 | I | A | 0.0536 | |
| 463 | L | A | 0.0000 | |
| 464 | W | A | 0.0000 | |
| 465 | D | A | -0.3706 | |
| 466 | F | A | 0.0000 | |
| 467 | L | A | 0.0000 | |
| 468 | V | A | 0.0000 | |
| 469 | N | A | -0.9911 | |
| 470 | S | A | -1.2935 | |
| 471 | K | A | -1.3968 | |
| 472 | Y | A | 0.0000 | |
| 473 | K | A | -1.9597 | |
| 474 | T | A | -1.0556 | |
| 475 | L | A | 0.0000 | |
| 476 | P | A | -0.9876 | |
| 477 | G | A | -1.4348 | |
| 478 | T | A | -1.4527 | |
| 479 | T | A | -1.0657 | |
| 480 | W | A | -0.7955 | |
| 481 | D | A | -0.3757 | |
| 482 | F | A | 0.0000 | |
| 483 | L | A | 0.3785 | |
| 484 | V | A | -0.6340 | |
| 485 | E | A | -1.1046 | |
| 486 | P | A | -1.0751 | |
| 487 | D | A | -0.9616 | |
| 488 | S | A | -0.4980 | |
| 489 | F | A | 0.6326 | |
| 490 | N | A | -1.3628 | |
| 491 | D | A | -1.8603 | |
| 492 | R | A | -2.1948 | |
| 493 | L | A | 0.0000 | |
| 494 | K | A | -1.0595 | |
| 495 | I | A | 0.0000 | |
| 496 | T | A | 0.0000 | |
| 497 | G | A | 0.0000 | |
| 498 | I | A | 0.0867 | |
| 499 | L | A | 0.0000 | |
| 500 | K | A | -1.5219 | |
| 501 | E | A | -2.1262 | |
| 502 | N | A | -2.2304 | |
| 503 | T | A | -1.5920 | |
| 504 | S | A | -1.5543 | |
| 505 | Q | A | -2.2149 | |
| 506 | A | A | -2.4581 | |
| 507 | K | A | -2.7185 | |
| 508 | S | A | -1.7093 | |
| 509 | N | A | -1.8956 | |
| 510 | P | A | -1.7275 | |
| 511 | D | A | -2.2923 | |
| 512 | S | A | -2.4626 | |
| 513 | K | A | -2.5436 | |
| 514 | N | A | -1.6511 | |
| 515 | L | A | 0.0000 | |
| 516 | T | A | -1.0259 | |
| 517 | S | A | -0.6744 | |
| 518 | L | A | 0.0000 | |
| 519 | T | A | -0.3460 | |
| 520 | R | A | 0.0000 | |
| 521 | N | A | 0.0000 | |
| 522 | L | A | 0.0000 | |
| 523 | I | A | 0.0000 | |
| 524 | I | A | 0.0000 | |
| 525 | K | A | -2.5745 | |
| 526 | G | A | -2.1400 | |
| 527 | V | A | -1.5661 |
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 | -1.3492 | 3.3442 | View | CSV | PDB |
| 4.5 | -1.4452 | 3.1251 | View | CSV | PDB |
| 5.0 | -1.565 | 3.0036 | View | CSV | PDB |
| 5.5 | -1.6811 | 2.9055 | View | CSV | PDB |
| 6.0 | -1.7615 | 2.8039 | View | CSV | PDB |
| 6.5 | -1.7824 | 2.7012 | View | CSV | PDB |
| 7.0 | -1.7438 | 2.5985 | View | CSV | PDB |
| 7.5 | -1.6652 | 2.4968 | View | CSV | PDB |
| 8.0 | -1.5662 | 2.4379 | View | CSV | PDB |
| 8.5 | -1.4561 | 2.7423 | View | CSV | PDB |
| 9.0 | -1.3374 | 3.0448 | 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