| Chain sequence(s) |
A: MKVLFYILLWSILFIHLVSVSKAETLFSYLYTHYSEQESLGSLLTDFAFTQGYSAIISPAVRGNVSGFFKDENPYQFLEGMRSAFGVMWYMLGKTMYFYTQAELQRVFISPQVMTVERLYHILLNSSVISPQLPIQLNGDMIILSGPPHYIEQVLQAVSIFEVSQLSNITMRVFPLKYASADDIVIQSMDKTVTVPGIASILRAMLNGQQETATTIVEQPATVNKLNGEGLASKGKEKTEKGNEVKQQAAGVNIMADPRMNAVVINDAAYRMPYYEEVIHDLDKPLELVEIHAAIVDIDSEFKRDLGFTLQQGSSKKSMTMGGDFSTTQQSLPLEITKGTVEGGGLTYSTIYSKGVEFFLARVQALETEGEARVLGKPSVLTVDNIQATLENTSTYYIQVQGYQTVDLFKVESGTVLRVTPHIIYNNDGTKSIKLVVAIEDNQNDNSTDPTVGSNVVLPPIKQTRINTQGVVNTGQSLLIGGYYYEQQGVNDKGIPILKDIPIIGYLFKTNTKTSKKMERLILITPRIIMPNTVTPIPAHVDDPSFHRSAVQDTYDDIKPKSSTGGGCSRKRRAPVIEEQRLG
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 (00:09:17)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/1090bdecee2d0c0/tmp/folded.pdb (00:09:17)
[INFO] Main: Simulation completed successfully. (00:14:02)
|
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 | 1.4128 | |
| 2 | K | A | 0.7986 | |
| 3 | V | A | 3.1355 | |
| 4 | L | A | 3.9359 | |
| 5 | F | A | 3.7655 | |
| 6 | Y | A | 3.8103 | |
| 7 | I | A | 4.6216 | |
| 8 | L | A | 4.7027 | |
| 9 | L | A | 4.1428 | |
| 10 | W | A | 4.2949 | |
| 11 | S | A | 3.7427 | |
| 12 | I | A | 4.2841 | |
| 13 | L | A | 4.1873 | |
| 14 | F | A | 4.4938 | |
| 15 | I | A | 4.1834 | |
| 16 | H | A | 2.3396 | |
| 17 | L | A | 3.0984 | |
| 18 | V | A | 3.2343 | |
| 19 | S | A | 1.5805 | |
| 20 | V | A | 1.8843 | |
| 21 | S | A | -0.2235 | |
| 22 | K | A | -1.7841 | |
| 23 | A | A | -1.3605 | |
| 24 | E | A | -2.2646 | |
| 25 | T | A | -0.9716 | |
| 26 | L | A | -0.0840 | |
| 27 | F | A | 0.0000 | |
| 28 | S | A | 0.4081 | |
| 29 | Y | A | 1.4571 | |
| 30 | L | A | 0.8437 | |
| 31 | Y | A | 0.0000 | |
| 32 | T | A | -0.5658 | |
| 33 | H | A | 0.0174 | |
| 34 | Y | A | 1.1772 | |
| 35 | S | A | 0.0000 | |
| 36 | E | A | -2.3034 | |
| 37 | Q | A | -2.8185 | |
| 38 | E | A | -1.9989 | |
| 39 | S | A | -1.8421 | |
| 40 | L | A | 0.0000 | |
| 41 | G | A | -0.7925 | |
| 42 | S | A | -0.7792 | |
| 43 | L | A | 0.0000 | |
| 44 | L | A | 0.0000 | |
| 45 | T | A | 0.0598 | |
| 46 | D | A | -0.8984 | |
| 47 | F | A | 0.0000 | |
| 48 | A | A | 0.0000 | |
| 49 | F | A | 1.3418 | |
| 50 | T | A | 0.8027 | |
| 51 | Q | A | 0.0000 | |
| 52 | G | A | 0.1450 | |
| 53 | Y | A | 0.0443 | |
| 54 | S | A | 0.1750 | |
| 55 | A | A | 0.7596 | |
| 56 | I | A | 1.7181 | |
| 57 | I | A | 0.9272 | |
| 58 | S | A | 0.0033 | |
| 59 | P | A | -0.3748 | |
| 60 | A | A | -0.7537 | |
| 61 | V | A | 0.0000 | |
| 62 | R | A | -2.1533 | |
| 63 | G | A | -1.8337 | |
| 64 | N | A | -2.5742 | |
| 65 | V | A | 0.0000 | |
| 66 | S | A | -1.2600 | |
| 67 | G | A | 0.1131 | |
| 68 | F | A | 1.2165 | |
| 69 | F | A | -0.0542 | |
| 70 | K | A | -1.9569 | |
| 71 | D | A | -2.2745 | |
| 72 | E | A | -1.8380 | |
| 73 | N | A | -1.5619 | |
| 74 | P | A | 0.0000 | |
| 75 | Y | A | -0.3015 | |
| 76 | Q | A | -1.8174 | |
| 77 | F | A | 0.0000 | |
| 78 | L | A | 0.0000 | |
| 79 | E | A | -1.9167 | |
| 80 | G | A | -1.2969 | |
| 81 | M | A | 0.0000 | |
| 82 | R | A | -2.1865 | |
| 83 | S | A | -1.1231 | |
| 84 | A | A | -0.4651 | |
| 85 | F | A | -0.6865 | |
| 86 | G | A | -1.1503 | |
| 87 | V | A | 0.0000 | |
| 88 | M | A | -0.6438 | |
| 89 | W | A | 0.0193 | |
| 90 | Y | A | 0.0000 | |
| 91 | M | A | 0.0000 | |
| 92 | L | A | -0.5135 | |
| 93 | G | A | -1.1727 | |
| 94 | K | A | -1.8852 | |
| 95 | T | A | -0.3696 | |
| 96 | M | A | 0.0000 | |
| 97 | Y | A | 0.8365 | |
| 98 | F | A | 0.0000 | |
| 99 | Y | A | 0.0000 | |
| 100 | T | A | -0.8840 | |
| 101 | Q | A | -1.3670 | |
| 102 | A | A | -0.6881 | |
| 103 | E | A | -0.8486 | |
| 104 | L | A | -0.9217 | |
| 105 | Q | A | -1.9078 | |
| 106 | R | A | -1.9124 | |
| 107 | V | A | -0.4469 | |
| 108 | F | A | 0.6692 | |
| 109 | I | A | 0.0000 | |
| 110 | S | A | -0.5846 | |
| 111 | P | A | -1.1231 | |
| 112 | Q | A | -1.2511 | |
| 113 | V | A | 0.0000 | |
| 114 | M | A | -0.9368 | |
| 115 | T | A | -1.6312 | |
| 116 | V | A | 0.0000 | |
| 117 | E | A | -2.9353 | |
| 118 | R | A | -2.8021 | |
| 119 | L | A | 0.0000 | |
| 120 | Y | A | -1.1713 | |
| 121 | H | A | -1.6069 | |
| 122 | I | A | -0.4808 | |
| 123 | L | A | 0.0000 | |
| 124 | L | A | 0.3653 | |
| 125 | N | A | -0.7811 | |
| 126 | S | A | -0.2830 | |
| 127 | S | A | -0.1723 | |
| 128 | V | A | 0.1056 | |
| 129 | I | A | 0.1644 | |
| 130 | S | A | 0.0000 | |
| 131 | P | A | -0.4495 | |
| 132 | Q | A | -0.7755 | |
| 133 | L | A | 0.0000 | |
| 134 | P | A | -0.6514 | |
| 135 | I | A | 0.0000 | |
| 136 | Q | A | -1.0763 | |
| 137 | L | A | -0.9403 | |
| 138 | N | A | -1.6007 | |
| 139 | G | A | -1.9796 | |
| 140 | D | A | -2.3353 | |
| 141 | M | A | -1.0447 | |
| 142 | I | A | 0.0000 | |
| 143 | I | A | 0.0000 | |
| 144 | L | A | 0.0000 | |
| 145 | S | A | -1.0900 | |
| 146 | G | A | 0.0000 | |
| 147 | P | A | 0.0000 | |
| 148 | P | A | -1.6483 | |
| 149 | H | A | -1.8342 | |
| 150 | Y | A | 0.0000 | |
| 151 | I | A | 0.0000 | |
| 152 | E | A | -2.5502 | |
| 153 | Q | A | -1.9052 | |
| 154 | V | A | 0.0000 | |
| 155 | L | A | -0.5492 | |
| 156 | Q | A | -0.8843 | |
| 157 | A | A | 0.0000 | |
| 158 | V | A | 0.0000 | |
| 159 | S | A | 1.0335 | |
| 160 | I | A | 2.4521 | |
| 161 | F | A | 1.9488 | |
| 162 | E | A | 0.0000 | |
| 163 | V | A | 2.5185 | |
| 164 | S | A | 1.3045 | |
| 165 | Q | A | 0.8625 | |
| 166 | L | A | 1.1633 | |
| 167 | S | A | 0.2769 | |
| 168 | N | A | -0.3187 | |
| 169 | I | A | 0.5706 | |
| 170 | T | A | 0.1907 | |
| 171 | M | A | 0.3188 | |
| 172 | R | A | -1.0686 | |
| 173 | V | A | -0.1686 | |
| 174 | F | A | 0.0000 | |
| 175 | P | A | -0.5632 | |
| 176 | L | A | 0.0000 | |
| 177 | K | A | -1.9394 | |
| 178 | Y | A | -0.4488 | |
| 179 | A | A | -0.4934 | |
| 180 | S | A | -0.6654 | |
| 181 | A | A | 0.0000 | |
| 182 | D | A | -1.1315 | |
| 183 | D | A | -0.2306 | |
| 184 | I | A | 1.1977 | |
| 185 | V | A | 1.5832 | |
| 186 | I | A | 0.9496 | |
| 187 | Q | A | -0.3914 | |
| 188 | S | A | -0.7465 | |
| 189 | M | A | -0.5954 | |
| 190 | D | A | -1.9665 | |
| 191 | K | A | -1.4618 | |
| 192 | T | A | -0.1443 | |
| 193 | V | A | 0.0000 | |
| 194 | T | A | 1.2280 | |
| 195 | V | A | 0.6150 | |
| 196 | P | A | -0.1725 | |
| 197 | G | A | 0.0000 | |
| 198 | I | A | 0.0000 | |
| 199 | A | A | 0.0000 | |
| 200 | S | A | 0.0000 | |
| 201 | I | A | -0.1658 | |
| 202 | L | A | 0.0000 | |
| 203 | R | A | -1.0723 | |
| 204 | A | A | -1.4170 | |
| 205 | M | A | -0.5042 | |
| 206 | L | A | -0.0727 | |
| 207 | N | A | -1.3304 | |
| 208 | G | A | -1.7248 | |
| 209 | Q | A | -2.6236 | |
| 210 | Q | A | -2.7396 | |
| 211 | E | A | -2.7449 | |
| 212 | T | A | -1.2953 | |
| 213 | A | A | -0.5609 | |
| 214 | T | A | 0.2768 | |
| 215 | T | A | 0.5056 | |
| 216 | I | A | 1.1229 | |
| 217 | V | A | 0.4976 | |
| 218 | E | A | -1.7846 | |
| 219 | Q | A | -2.0193 | |
| 220 | P | A | -1.2031 | |
| 221 | A | A | -0.5770 | |
| 222 | T | A | -0.0849 | |
| 223 | V | A | 0.8257 | |
| 224 | N | A | -1.0149 | |
| 225 | K | A | -1.3201 | |
| 226 | L | A | -0.0578 | |
| 227 | N | A | -1.8262 | |
| 228 | G | A | -1.7559 | |
| 229 | E | A | -2.1710 | |
| 230 | G | A | -1.1401 | |
| 231 | L | A | 0.3460 | |
| 232 | A | A | -0.5312 | |
| 233 | S | A | -1.7451 | |
| 234 | K | A | -2.6304 | |
| 235 | G | A | -2.6373 | |
| 236 | K | A | -3.8099 | |
| 237 | E | A | -4.2422 | |
| 238 | K | A | -3.9584 | |
| 239 | T | A | -3.1869 | |
| 240 | E | A | -3.8074 | |
| 241 | K | A | -3.7750 | |
| 242 | G | A | -2.7566 | |
| 243 | N | A | -2.8965 | |
| 244 | E | A | -2.7558 | |
| 245 | V | A | -0.8224 | |
| 246 | K | A | -2.3338 | |
| 247 | Q | A | -1.9861 | |
| 248 | Q | A | -1.5279 | |
| 249 | A | A | -0.9343 | |
| 250 | A | A | -0.5184 | |
| 251 | G | A | -0.3106 | |
| 252 | V | A | -0.5450 | |
| 253 | N | A | -0.9274 | |
| 254 | I | A | 0.0000 | |
| 255 | M | A | 0.1088 | |
| 256 | A | A | -0.3942 | |
| 257 | D | A | -0.7129 | |
| 258 | P | A | -1.3751 | |
| 259 | R | A | -1.7373 | |
| 260 | M | A | -0.1842 | |
| 261 | N | A | -1.0619 | |
| 262 | A | A | 0.0000 | |
| 263 | V | A | 0.0000 | |
| 264 | V | A | -0.0554 | |
| 265 | I | A | 0.0000 | |
| 266 | N | A | -0.2030 | |
| 267 | D | A | 0.0000 | |
| 268 | A | A | 0.0000 | |
| 269 | A | A | 0.0090 | |
| 270 | Y | A | 0.3465 | |
| 271 | R | A | 0.0628 | |
| 272 | M | A | -0.4615 | |
| 273 | P | A | -0.6609 | |
| 274 | Y | A | -0.3226 | |
| 275 | Y | A | 0.0000 | |
| 276 | E | A | -2.3367 | |
| 277 | E | A | -2.7015 | |
| 278 | V | A | -1.5443 | |
| 279 | I | A | 0.0000 | |
| 280 | H | A | -2.9592 | |
| 281 | D | A | -2.9085 | |
| 282 | L | A | -1.2561 | |
| 283 | D | A | -1.5915 | |
| 284 | K | A | -1.9476 | |
| 285 | P | A | -0.4074 | |
| 286 | L | A | 0.6748 | |
| 287 | E | A | 0.2832 | |
| 288 | L | A | 0.6415 | |
| 289 | V | A | 0.0000 | |
| 290 | E | A | -0.2311 | |
| 291 | I | A | 0.0000 | |
| 292 | H | A | -0.8570 | |
| 293 | A | A | 0.0000 | |
| 294 | A | A | -0.5629 | |
| 295 | I | A | 0.0000 | |
| 296 | V | A | 0.0000 | |
| 297 | D | A | -0.7804 | |
| 298 | I | A | -1.0703 | |
| 299 | D | A | -1.7100 | |
| 300 | S | A | -1.7167 | |
| 301 | E | A | -2.1899 | |
| 302 | F | A | -1.0218 | |
| 303 | K | A | -2.7198 | |
| 304 | R | A | -3.0899 | |
| 305 | D | A | -2.2989 | |
| 306 | L | A | 0.0209 | |
| 307 | G | A | 0.2509 | |
| 308 | F | A | 2.0969 | |
| 309 | T | A | 0.9438 | |
| 310 | L | A | 1.0420 | |
| 311 | Q | A | -0.9786 | |
| 312 | Q | A | -1.6941 | |
| 313 | G | A | -1.5112 | |
| 314 | S | A | -1.4801 | |
| 315 | S | A | -1.7789 | |
| 316 | K | A | -2.7770 | |
| 317 | K | A | -2.4469 | |
| 318 | S | A | -1.1065 | |
| 319 | M | A | 0.6987 | |
| 320 | T | A | 0.5165 | |
| 321 | M | A | 0.7133 | |
| 322 | G | A | -0.2527 | |
| 323 | G | A | -0.9254 | |
| 324 | D | A | -1.1137 | |
| 325 | F | A | 0.7969 | |
| 326 | S | A | 0.0678 | |
| 327 | T | A | -0.3524 | |
| 328 | T | A | -0.8674 | |
| 329 | Q | A | -1.7493 | |
| 330 | Q | A | -1.5187 | |
| 331 | S | A | -0.2130 | |
| 332 | L | A | 0.9796 | |
| 333 | P | A | 0.9333 | |
| 334 | L | A | 1.3255 | |
| 335 | E | A | -0.1570 | |
| 336 | I | A | 0.9733 | |
| 337 | T | A | -0.3660 | |
| 338 | K | A | -1.4994 | |
| 339 | G | A | -0.7757 | |
| 340 | T | A | -0.4210 | |
| 341 | V | A | 0.3007 | |
| 342 | E | A | -1.4097 | |
| 343 | G | A | -1.2894 | |
| 344 | G | A | -1.1666 | |
| 345 | G | A | -0.5069 | |
| 346 | L | A | 0.8127 | |
| 347 | T | A | 1.0401 | |
| 348 | Y | A | 1.6554 | |
| 349 | S | A | 1.1211 | |
| 350 | T | A | 1.5599 | |
| 351 | I | A | 2.5673 | |
| 352 | Y | A | 1.7526 | |
| 353 | S | A | -0.0125 | |
| 354 | K | A | -1.1331 | |
| 355 | G | A | 0.2604 | |
| 356 | V | A | 0.0750 | |
| 357 | E | A | -1.0130 | |
| 358 | F | A | 0.6863 | |
| 359 | F | A | 0.3348 | |
| 360 | L | A | -0.2133 | |
| 361 | A | A | -0.4384 | |
| 362 | R | A | -0.7861 | |
| 363 | V | A | 0.0000 | |
| 364 | Q | A | -1.9105 | |
| 365 | A | A | -1.4750 | |
| 366 | L | A | -1.9360 | |
| 367 | E | A | -2.5544 | |
| 368 | T | A | -2.0160 | |
| 369 | E | A | -2.4924 | |
| 370 | G | A | -2.2744 | |
| 371 | E | A | -2.0297 | |
| 372 | A | A | 0.0000 | |
| 373 | R | A | -2.2030 | |
| 374 | V | A | -0.9898 | |
| 375 | L | A | -0.2263 | |
| 376 | G | A | -0.8582 | |
| 377 | K | A | -1.6875 | |
| 378 | P | A | -1.1306 | |
| 379 | S | A | -0.2914 | |
| 380 | V | A | 0.5383 | |
| 381 | L | A | 0.9539 | |
| 382 | T | A | 0.0000 | |
| 383 | V | A | 0.4629 | |
| 384 | D | A | -0.5585 | |
| 385 | N | A | -1.2858 | |
| 386 | I | A | -0.4839 | |
| 387 | Q | A | -0.5873 | |
| 388 | A | A | 0.0000 | |
| 389 | T | A | -0.3955 | |
| 390 | L | A | -0.6120 | |
| 391 | E | A | -1.7740 | |
| 392 | N | A | -1.8938 | |
| 393 | T | A | -1.3542 | |
| 394 | S | A | -0.7524 | |
| 395 | T | A | -0.1059 | |
| 396 | Y | A | 1.2276 | |
| 397 | Y | A | 1.2828 | |
| 398 | I | A | 1.0120 | |
| 399 | Q | A | 0.1932 | |
| 400 | V | A | 0.8976 | |
| 401 | Q | A | -0.4642 | |
| 402 | G | A | 0.0997 | |
| 403 | Y | A | 0.6625 | |
| 404 | Q | A | -0.4496 | |
| 405 | T | A | 0.1407 | |
| 406 | V | A | 1.3942 | |
| 407 | D | A | 0.6142 | |
| 408 | L | A | 1.1859 | |
| 409 | F | A | 1.6780 | |
| 410 | K | A | 0.2204 | |
| 411 | V | A | 0.2752 | |
| 412 | E | A | -1.0632 | |
| 413 | S | A | -1.4223 | |
| 414 | G | A | -1.5718 | |
| 415 | T | A | -1.4694 | |
| 416 | V | A | 0.0000 | |
| 417 | L | A | 0.0000 | |
| 418 | R | A | -0.9686 | |
| 419 | V | A | 0.0000 | |
| 420 | T | A | -0.6325 | |
| 421 | P | A | 0.0000 | |
| 422 | H | A | -0.6204 | |
| 423 | I | A | 0.0000 | |
| 424 | I | A | 0.6073 | |
| 425 | Y | A | 0.4202 | |
| 426 | N | A | -1.1475 | |
| 427 | N | A | -2.2048 | |
| 428 | D | A | -2.6637 | |
| 429 | G | A | -1.7221 | |
| 430 | T | A | -1.1735 | |
| 431 | K | A | -0.7878 | |
| 432 | S | A | 0.0000 | |
| 433 | I | A | 0.0000 | |
| 434 | K | A | -0.2469 | |
| 435 | L | A | 0.0000 | |
| 436 | V | A | 0.0486 | |
| 437 | V | A | 0.0000 | |
| 438 | A | A | -1.1113 | |
| 439 | I | A | 0.0000 | |
| 440 | E | A | -1.7450 | |
| 441 | D | A | 0.0000 | |
| 442 | N | A | -2.1476 | |
| 443 | Q | A | -2.3234 | |
| 444 | N | A | -2.4292 | |
| 445 | D | A | -2.4836 | |
| 446 | N | A | -2.4402 | |
| 447 | S | A | -1.7396 | |
| 448 | T | A | -1.2336 | |
| 449 | D | A | -1.3668 | |
| 450 | P | A | -0.0835 | |
| 451 | T | A | 0.7846 | |
| 452 | V | A | 1.8528 | |
| 453 | G | A | 0.4164 | |
| 454 | S | A | -0.1563 | |
| 455 | N | A | -0.1648 | |
| 456 | V | A | 1.5387 | |
| 457 | V | A | 1.8276 | |
| 458 | L | A | 0.9480 | |
| 459 | P | A | -0.9710 | |
| 460 | P | A | -1.3706 | |
| 461 | I | A | -1.6360 | |
| 462 | K | A | -2.5590 | |
| 463 | Q | A | -2.6410 | |
| 464 | T | A | -1.8863 | |
| 465 | R | A | -2.5314 | |
| 466 | I | A | 0.0000 | |
| 467 | N | A | -1.8409 | |
| 468 | T | A | -0.8997 | |
| 469 | Q | A | -0.7924 | |
| 470 | G | A | 0.3566 | |
| 471 | V | A | 1.1534 | |
| 472 | V | A | 0.0000 | |
| 473 | N | A | -0.3903 | |
| 474 | T | A | -1.0192 | |
| 475 | G | A | -1.5282 | |
| 476 | Q | A | -0.6491 | |
| 477 | S | A | -0.0657 | |
| 478 | L | A | 1.3286 | |
| 479 | L | A | 1.0409 | |
| 480 | I | A | 0.1751 | |
| 481 | G | A | -0.0245 | |
| 482 | G | A | 0.0681 | |
| 483 | Y | A | 0.8536 | |
| 484 | Y | A | 1.0703 | |
| 485 | Y | A | -0.2617 | |
| 486 | E | A | -2.7053 | |
| 487 | Q | A | -3.0912 | |
| 488 | Q | A | -2.7646 | |
| 489 | G | A | -1.4579 | |
| 490 | V | A | -0.8462 | |
| 491 | N | A | -2.7678 | |
| 492 | D | A | -3.8904 | |
| 493 | K | A | -3.0474 | |
| 494 | G | A | -0.7997 | |
| 495 | I | A | 1.7702 | |
| 496 | P | A | 1.0271 | |
| 497 | I | A | 2.0831 | |
| 498 | L | A | 1.8260 | |
| 499 | K | A | 0.4597 | |
| 500 | D | A | -0.2824 | |
| 501 | I | A | 1.3742 | |
| 502 | P | A | 1.0794 | |
| 503 | I | A | 2.6639 | |
| 504 | I | A | 2.4763 | |
| 505 | G | A | 0.0000 | |
| 506 | Y | A | 2.2429 | |
| 507 | L | A | 2.9331 | |
| 508 | F | A | 1.6962 | |
| 509 | K | A | -0.8092 | |
| 510 | T | A | -1.7974 | |
| 511 | N | A | -2.9794 | |
| 512 | T | A | -2.3743 | |
| 513 | K | A | -2.4388 | |
| 514 | T | A | -1.8063 | |
| 515 | S | A | -2.4957 | |
| 516 | K | A | -3.1107 | |
| 517 | K | A | -2.2069 | |
| 518 | M | A | -0.9706 | |
| 519 | E | A | -0.1330 | |
| 520 | R | A | -0.0980 | |
| 521 | L | A | 0.0000 | |
| 522 | I | A | 0.0000 | |
| 523 | L | A | 0.0000 | |
| 524 | I | A | 0.0000 | |
| 525 | T | A | -0.5926 | |
| 526 | P | A | 0.0000 | |
| 527 | R | A | -1.8523 | |
| 528 | I | A | -0.5863 | |
| 529 | I | A | 0.2176 | |
| 530 | M | A | 0.2669 | |
| 531 | P | A | -0.1650 | |
| 532 | N | A | -0.9198 | |
| 533 | T | A | -0.0137 | |
| 534 | V | A | 1.1701 | |
| 535 | T | A | 0.7798 | |
| 536 | P | A | 0.9426 | |
| 537 | I | A | 2.0364 | |
| 538 | P | A | 1.1875 | |
| 539 | A | A | 0.4241 | |
| 540 | H | A | 0.1440 | |
| 541 | V | A | 1.0812 | |
| 542 | D | A | -1.0375 | |
| 543 | D | A | -1.1901 | |
| 544 | P | A | -0.9905 | |
| 545 | S | A | -0.6010 | |
| 546 | F | A | -0.1511 | |
| 547 | H | A | -1.5202 | |
| 548 | R | A | -2.3534 | |
| 549 | S | A | -1.1692 | |
| 550 | A | A | -0.6872 | |
| 551 | V | A | 0.4902 | |
| 552 | Q | A | -1.5634 | |
| 553 | D | A | -2.2385 | |
| 554 | T | A | -0.8645 | |
| 555 | Y | A | -0.3843 | |
| 556 | D | A | -2.2923 | |
| 557 | D | A | -1.8606 | |
| 558 | I | A | -0.2778 | |
| 559 | K | A | -2.1077 | |
| 560 | P | A | -1.6616 | |
| 561 | K | A | -2.1385 | |
| 562 | S | A | -1.5573 | |
| 563 | S | A | -1.0546 | |
| 564 | T | A | -0.8615 | |
| 565 | G | A | -0.8434 | |
| 566 | G | A | -0.8270 | |
| 567 | G | A | -0.4842 | |
| 568 | C | A | -0.3562 | |
| 569 | S | A | -1.4138 | |
| 570 | R | A | -3.2488 | |
| 571 | K | A | -3.9274 | |
| 572 | R | A | -4.0687 | |
| 573 | R | A | -3.1793 | |
| 574 | A | A | -0.9271 | |
| 575 | P | A | 0.2906 | |
| 576 | V | A | 1.7898 | |
| 577 | I | A | 1.4199 | |
| 578 | E | A | -1.7529 | |
| 579 | E | A | -3.0239 | |
| 580 | Q | A | -2.9047 | |
| 581 | R | A | -2.4588 | |
| 582 | L | A | 0.0012 | |
| 583 | G | A | -0.0806 |
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 | -0.0923 | 7.6043 | View | CSV | PDB |
| 4.5 | -0.1596 | 7.6043 | View | CSV | PDB |
| 5.0 | -0.2396 | 7.6043 | View | CSV | PDB |
| 5.5 | -0.3156 | 7.6043 | View | CSV | PDB |
| 6.0 | -0.3714 | 7.6043 | View | CSV | PDB |
| 6.5 | -0.3976 | 7.6043 | View | CSV | PDB |
| 7.0 | -0.3963 | 7.6043 | View | CSV | PDB |
| 7.5 | -0.3772 | 7.6042 | View | CSV | PDB |
| 8.0 | -0.348 | 7.6041 | View | CSV | PDB |
| 8.5 | -0.3113 | 7.6038 | View | CSV | PDB |
| 9.0 | -0.2659 | 7.6029 | 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