| Chain sequence(s) | MEVAMVSAESSGCNSHMPYGYAAQARARERERLAHSRAAAAAAVAAATAAVEGTGGSGGGPHHHHQTRGAYSSHDPQGSRGSREEEATRTEKKKKLHHRQSSFPHCSDLMPSGSEEKILRELSEEEEDEEEEEEEEEEGRFYYSEEDHGDGCSYTDLLPQDDGGGGGYSSVRYSDCCERVVINVSGLRFETQMKTLAQFPETLLGDPEKRTQYFDPLRNEYFFDRNRPSFDAILYYYQSGGRLKRPVNVPFDIFTEEVKFYQLGEEALLKFREDEGFVREEEDRALPENEFKKQIWLLFEYPESSSPARGIAIVSVLVILISIVIFCLETLPEFRDDRDLIMALSAGGHSRLLNDTSAPHLENSGHTIFNDPFFIVETVCIVWFSFEFVVRCFACPSQALFFKNIMNIIDIVSILPYFITLGTDLAQQQGGGNGQQQQAMSFAILRIIRLVRVFRIFKLSRHSKGLQILGHTLRASMRELGLLIFFLFIGVILFSSAVYFAEADEPTTHFQSIPDAFWWAVVTMTTVGYGDMKPITVGGKIVGSLCAIAGVLTIALPVPVIVSNFNYFYHRETENEEQTQLTQNAVSCPYLPSNLLKKFRSSTSSSLGDKSEYLEMEEGVKESLCGKEEKCQGKGDDSETDKNNCSNAKAVETDV input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| 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. (00:00:06)
[INFO] FoldX: Starting FoldX energy minimization (00:00:07)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:29:14)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/7e5450733380ee/tmp/folded.pdb (00:29:14)
[INFO] Main: Simulation completed successfully. (00:32:28)
|
The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan3D score | mutation |
|---|---|---|---|---|
| residue index | residue name | chain | Aggrescan3D score | |
| 1 | M | A | 0.6405 | |
| 2 | E | A | -0.0549 | |
| 3 | V | A | 1.8009 | |
| 4 | A | A | 1.5145 | |
| 5 | M | A | 1.8090 | |
| 6 | V | A | 2.0366 | |
| 7 | S | A | 0.4470 | |
| 8 | A | A | -0.3459 | |
| 9 | E | A | -1.6537 | |
| 10 | S | A | -1.2752 | |
| 11 | S | A | -0.8213 | |
| 12 | G | A | -0.7888 | |
| 13 | C | A | -0.2162 | |
| 14 | N | A | -1.2436 | |
| 15 | S | A | -0.9816 | |
| 16 | H | A | -0.8913 | |
| 17 | M | A | 0.3922 | |
| 18 | P | A | 0.0808 | |
| 19 | Y | A | 0.2286 | |
| 20 | G | A | 0.1921 | |
| 21 | Y | A | -0.0794 | |
| 22 | A | A | -0.8392 | |
| 23 | A | A | -1.2103 | |
| 24 | Q | A | -1.8242 | |
| 25 | A | A | -2.2569 | |
| 26 | R | A | -3.0404 | |
| 27 | A | A | -2.9930 | |
| 28 | R | A | -3.8844 | |
| 29 | E | A | 0.0000 | |
| 30 | R | A | -4.2047 | |
| 31 | E | A | -4.6037 | |
| 32 | R | A | -4.2640 | |
| 33 | L | A | -2.6522 | |
| 34 | A | A | -2.7019 | |
| 35 | H | A | -2.7750 | |
| 36 | S | A | -2.1006 | |
| 37 | R | A | -2.3418 | |
| 38 | A | A | -0.9035 | |
| 39 | A | A | -0.3538 | |
| 40 | A | A | 0.0000 | |
| 41 | A | A | 0.1555 | |
| 42 | A | A | 0.4434 | |
| 43 | A | A | 1.0545 | |
| 44 | V | A | 1.9254 | |
| 45 | A | A | 0.9917 | |
| 46 | A | A | 0.9447 | |
| 47 | A | A | 1.2192 | |
| 48 | T | A | 0.6083 | |
| 49 | A | A | 0.1735 | |
| 50 | A | A | 0.3677 | |
| 51 | V | A | 0.7588 | |
| 52 | E | A | -1.3570 | |
| 53 | G | A | -1.0060 | |
| 54 | T | A | -0.6962 | |
| 55 | G | A | -1.0957 | |
| 56 | G | A | -1.2717 | |
| 57 | S | A | -0.9442 | |
| 58 | G | A | -1.0612 | |
| 59 | G | A | -1.0863 | |
| 60 | G | A | -1.2958 | |
| 61 | P | A | -1.3193 | |
| 62 | H | A | -1.8968 | |
| 63 | H | A | -2.2516 | |
| 64 | H | A | -2.3997 | |
| 65 | H | A | -2.2828 | |
| 66 | Q | A | -2.3117 | |
| 67 | T | A | -1.9261 | |
| 68 | R | A | -2.3552 | |
| 69 | G | A | -1.1099 | |
| 70 | A | A | -0.0279 | |
| 71 | Y | A | 1.0869 | |
| 72 | S | A | 0.2175 | |
| 73 | S | A | -0.9353 | |
| 74 | H | A | -2.0439 | |
| 75 | D | A | -2.6443 | |
| 76 | P | A | -1.9489 | |
| 77 | Q | A | -1.9385 | |
| 78 | G | A | -1.6301 | |
| 79 | S | A | -1.7035 | |
| 80 | R | A | -2.3175 | |
| 81 | G | A | -1.8589 | |
| 82 | S | A | -2.0949 | |
| 83 | R | A | -3.4285 | |
| 84 | E | A | -4.1475 | |
| 85 | E | A | -3.9651 | |
| 86 | E | A | -3.1031 | |
| 87 | A | A | -1.6580 | |
| 88 | T | A | -1.3470 | |
| 89 | R | A | -2.2936 | |
| 90 | T | A | -2.2129 | |
| 91 | E | A | -3.4370 | |
| 92 | K | A | -3.8222 | |
| 93 | K | A | -4.1360 | |
| 94 | K | A | -3.4518 | |
| 95 | K | A | -2.3868 | |
| 96 | L | A | -0.3732 | |
| 97 | H | A | -1.4233 | |
| 98 | H | A | -2.3595 | |
| 99 | R | A | -3.1785 | |
| 100 | Q | A | -2.4368 | |
| 101 | S | A | -0.8550 | |
| 102 | S | A | 0.3110 | |
| 103 | F | A | 1.4279 | |
| 104 | P | A | 0.3807 | |
| 105 | H | A | -0.3391 | |
| 106 | C | A | -0.2885 | |
| 107 | S | A | -0.4980 | |
| 108 | D | A | -0.7823 | |
| 109 | L | A | 1.0593 | |
| 110 | M | A | 1.1462 | |
| 111 | P | A | 0.2517 | |
| 112 | S | A | -0.7931 | |
| 113 | G | A | -1.7084 | |
| 114 | S | A | -1.9224 | |
| 115 | E | A | -2.9387 | |
| 116 | E | A | -3.3576 | |
| 117 | K | A | -3.0482 | |
| 118 | I | A | -0.9872 | |
| 119 | L | A | -1.0541 | |
| 120 | R | A | -3.4200 | |
| 121 | E | A | -3.3626 | |
| 122 | L | A | -2.4107 | |
| 123 | S | A | -3.3062 | |
| 124 | E | A | -5.0754 | |
| 125 | E | A | -5.6643 | |
| 126 | E | A | -5.8420 | |
| 127 | E | A | -6.6413 | |
| 128 | D | A | -7.1276 | |
| 129 | E | A | -7.3730 | |
| 130 | E | A | -7.6352 | |
| 131 | E | A | -7.7863 | |
| 132 | E | A | -7.8167 | |
| 133 | E | A | -7.6460 | |
| 134 | E | A | -7.6509 | |
| 135 | E | A | -7.0494 | |
| 136 | E | A | -6.4200 | |
| 137 | E | A | -5.7379 | |
| 138 | E | A | -4.2309 | |
| 139 | G | A | -2.6877 | |
| 140 | R | A | -2.5023 | |
| 141 | F | A | 0.1105 | |
| 142 | Y | A | 0.4952 | |
| 143 | Y | A | 0.2810 | |
| 144 | S | A | -0.8914 | |
| 145 | E | A | -2.5947 | |
| 146 | E | A | -3.3554 | |
| 147 | D | A | -3.8285 | |
| 148 | H | A | -3.4502 | |
| 149 | G | A | -2.8642 | |
| 150 | D | A | -2.5825 | |
| 151 | G | A | -1.1423 | |
| 152 | C | A | 0.2824 | |
| 153 | S | A | 0.2181 | |
| 154 | Y | A | 1.1325 | |
| 155 | T | A | 0.2370 | |
| 156 | D | A | -0.3870 | |
| 157 | L | A | 1.3782 | |
| 158 | L | A | 1.1339 | |
| 159 | P | A | -0.5716 | |
| 160 | Q | A | -2.1239 | |
| 161 | D | A | -3.2787 | |
| 162 | D | A | -3.3315 | |
| 163 | G | A | -2.2658 | |
| 164 | G | A | -1.6449 | |
| 165 | G | A | -1.1263 | |
| 166 | G | A | -0.7698 | |
| 167 | G | A | -0.2347 | |
| 168 | Y | A | 1.0539 | |
| 169 | S | A | 0.3069 | |
| 170 | S | A | 0.4970 | |
| 171 | V | A | 1.2136 | |
| 172 | R | A | -0.8705 | |
| 173 | Y | A | 0.4303 | |
| 174 | S | A | -0.9147 | |
| 175 | D | A | -2.4850 | |
| 176 | C | A | -1.3444 | |
| 177 | C | A | -1.3242 | |
| 178 | E | A | -3.1698 | |
| 179 | R | A | -3.3401 | |
| 180 | V | A | 0.0000 | |
| 181 | V | A | -1.2437 | |
| 182 | I | A | 0.0000 | |
| 183 | N | A | 0.0000 | |
| 184 | V | A | 0.0000 | |
| 185 | S | A | -1.1966 | |
| 186 | G | A | -0.8258 | |
| 187 | L | A | -0.3433 | |
| 188 | R | A | -1.2580 | |
| 189 | F | A | -1.3223 | |
| 190 | E | A | -2.3142 | |
| 191 | T | A | 0.0000 | |
| 192 | Q | A | -2.3352 | |
| 193 | M | A | -2.2203 | |
| 194 | K | A | -2.6809 | |
| 195 | T | A | 0.0000 | |
| 196 | L | A | 0.0000 | |
| 197 | A | A | -1.4839 | |
| 198 | Q | A | -2.0376 | |
| 199 | F | A | -1.3209 | |
| 200 | P | A | -1.4530 | |
| 201 | E | A | -2.3256 | |
| 202 | T | A | 0.0000 | |
| 203 | L | A | 0.0000 | |
| 204 | L | A | 0.0000 | |
| 205 | G | A | 0.0000 | |
| 206 | D | A | -1.8496 | |
| 207 | P | A | -1.7963 | |
| 208 | E | A | -2.5249 | |
| 209 | K | A | -2.1534 | |
| 210 | R | A | 0.0000 | |
| 211 | T | A | -1.2105 | |
| 212 | Q | A | -1.2797 | |
| 213 | Y | A | -0.0153 | |
| 214 | F | A | 0.2600 | |
| 215 | D | A | -0.5847 | |
| 216 | P | A | -0.5155 | |
| 217 | L | A | 0.1849 | |
| 218 | R | A | -1.4895 | |
| 219 | N | A | -1.5317 | |
| 220 | E | A | 0.0000 | |
| 221 | Y | A | 0.0000 | |
| 222 | F | A | 0.1685 | |
| 223 | F | A | 0.0000 | |
| 224 | D | A | -2.0112 | |
| 225 | R | A | -1.6035 | |
| 226 | N | A | -1.4859 | |
| 227 | R | A | -2.0413 | |
| 228 | P | A | -1.2391 | |
| 229 | S | A | 0.0000 | |
| 230 | F | A | 0.0000 | |
| 231 | D | A | -1.9809 | |
| 232 | A | A | 0.0000 | |
| 233 | I | A | 0.0000 | |
| 234 | L | A | -0.8078 | |
| 235 | Y | A | -1.0088 | |
| 236 | Y | A | 0.0000 | |
| 237 | Y | A | 0.0000 | |
| 238 | Q | A | -1.7757 | |
| 239 | S | A | -1.2526 | |
| 240 | G | A | -1.4943 | |
| 241 | G | A | -1.8540 | |
| 242 | R | A | -2.7084 | |
| 243 | L | A | 0.0000 | |
| 244 | K | A | -2.6338 | |
| 245 | R | A | -1.1566 | |
| 246 | P | A | -0.4537 | |
| 247 | V | A | 0.7114 | |
| 248 | N | A | -0.5338 | |
| 249 | V | A | 0.0000 | |
| 250 | P | A | -0.2596 | |
| 251 | F | A | 0.0000 | |
| 252 | D | A | -1.7816 | |
| 253 | I | A | -0.6280 | |
| 254 | F | A | 0.0000 | |
| 255 | T | A | 0.0000 | |
| 256 | E | A | -2.6637 | |
| 257 | E | A | 0.0000 | |
| 258 | V | A | 0.0000 | |
| 259 | K | A | -2.4706 | |
| 260 | F | A | -1.1117 | |
| 261 | Y | A | 0.0000 | |
| 262 | Q | A | -1.9541 | |
| 263 | L | A | 0.0000 | |
| 264 | G | A | -2.2650 | |
| 265 | E | A | -3.4138 | |
| 266 | E | A | -3.1079 | |
| 267 | A | A | -2.6537 | |
| 268 | L | A | 0.0000 | |
| 269 | L | A | -2.3552 | |
| 270 | K | A | -3.6842 | |
| 271 | F | A | 0.0000 | |
| 272 | R | A | -2.1597 | |
| 273 | E | A | -2.4397 | |
| 274 | D | A | -2.9503 | |
| 275 | E | A | -1.6733 | |
| 276 | G | A | -0.9651 | |
| 277 | F | A | -0.8290 | |
| 278 | V | A | -0.6497 | |
| 279 | R | A | -3.3182 | |
| 280 | E | A | -4.2293 | |
| 281 | E | A | -4.8747 | |
| 282 | E | A | -5.1899 | |
| 283 | D | A | -4.8571 | |
| 284 | R | A | -3.6991 | |
| 285 | A | A | -2.2375 | |
| 286 | L | A | -1.4767 | |
| 287 | P | A | 0.0000 | |
| 288 | E | A | -2.5071 | |
| 289 | N | A | -2.4031 | |
| 290 | E | A | -2.3194 | |
| 291 | F | A | -0.2211 | |
| 292 | K | A | -0.8347 | |
| 293 | K | A | -1.7068 | |
| 294 | Q | A | -1.1466 | |
| 295 | I | A | 0.1619 | |
| 296 | W | A | 0.2158 | |
| 297 | L | A | -0.2628 | |
| 298 | L | A | -0.5447 | |
| 299 | F | A | 0.0000 | |
| 300 | E | A | -0.0970 | |
| 301 | Y | A | -0.5423 | |
| 302 | P | A | -1.4726 | |
| 303 | E | A | -2.3480 | |
| 304 | S | A | -1.3613 | |
| 305 | S | A | -1.2394 | |
| 306 | S | A | -1.3854 | |
| 307 | P | A | -1.0376 | |
| 308 | A | A | 0.0000 | |
| 309 | R | A | -2.0217 | |
| 310 | G | A | -0.5934 | |
| 311 | I | A | 0.5232 | |
| 312 | A | A | 0.3347 | |
| 313 | I | A | 1.6421 | |
| 314 | V | A | 2.1954 | |
| 315 | S | A | 0.0000 | |
| 316 | V | A | 2.4177 | |
| 317 | L | A | 3.0598 | |
| 318 | V | A | 2.6488 | |
| 319 | I | A | 0.0000 | |
| 320 | L | A | 2.9364 | |
| 321 | I | A | 3.0663 | |
| 322 | S | A | 0.0000 | |
| 323 | I | A | 2.4994 | |
| 324 | V | A | 2.7578 | |
| 325 | I | A | 2.0078 | |
| 326 | F | A | 1.7042 | |
| 327 | C | A | 1.6843 | |
| 328 | L | A | 1.0602 | |
| 329 | E | A | 0.1279 | |
| 330 | T | A | -0.0256 | |
| 331 | L | A | -0.2632 | |
| 332 | P | A | -1.8044 | |
| 333 | E | A | -2.6223 | |
| 334 | F | A | -1.7398 | |
| 335 | R | A | -3.0040 | |
| 336 | D | A | -3.6235 | |
| 337 | D | A | -3.0979 | |
| 338 | R | A | -2.1659 | |
| 339 | D | A | -2.1480 | |
| 340 | L | A | -0.2078 | |
| 341 | I | A | 0.0044 | |
| 342 | M | A | 0.1834 | |
| 343 | A | A | 0.2256 | |
| 344 | L | A | 0.7233 | |
| 345 | S | A | 0.0572 | |
| 346 | A | A | 0.0718 | |
| 347 | G | A | -0.7717 | |
| 348 | G | A | -1.0583 | |
| 349 | H | A | -1.1890 | |
| 350 | S | A | -1.2565 | |
| 351 | R | A | -1.3512 | |
| 352 | L | A | 0.4741 | |
| 353 | L | A | 0.3829 | |
| 354 | N | A | -1.3487 | |
| 355 | D | A | -1.7482 | |
| 356 | T | A | -1.0902 | |
| 357 | S | A | -0.8347 | |
| 358 | A | A | -0.2501 | |
| 359 | P | A | -0.5757 | |
| 360 | H | A | -1.0836 | |
| 361 | L | A | -0.2423 | |
| 362 | E | A | -2.1304 | |
| 363 | N | A | -2.1618 | |
| 364 | S | A | -1.5813 | |
| 365 | G | A | -1.2315 | |
| 366 | H | A | -0.4751 | |
| 367 | T | A | 0.4984 | |
| 368 | I | A | 1.8596 | |
| 369 | F | A | 2.1226 | |
| 370 | N | A | 0.0942 | |
| 371 | D | A | 0.0000 | |
| 372 | P | A | 0.6030 | |
| 373 | F | A | 1.2584 | |
| 374 | F | A | 1.6908 | |
| 375 | I | A | 2.2738 | |
| 376 | V | A | 2.0616 | |
| 377 | E | A | 0.0000 | |
| 378 | T | A | 2.2008 | |
| 379 | V | A | 2.9498 | |
| 380 | C | A | 0.0000 | |
| 381 | I | A | 0.0000 | |
| 382 | V | A | 2.8353 | |
| 383 | W | A | 2.1712 | |
| 384 | F | A | 0.0000 | |
| 385 | S | A | 1.8773 | |
| 386 | F | A | 2.1270 | |
| 387 | E | A | 0.0000 | |
| 388 | F | A | 1.6520 | |
| 389 | V | A | 2.0865 | |
| 390 | V | A | 1.7859 | |
| 391 | R | A | 0.0000 | |
| 392 | C | A | 1.6168 | |
| 393 | F | A | 2.1787 | |
| 394 | A | A | 0.0000 | |
| 395 | C | A | 0.4475 | |
| 396 | P | A | -0.4360 | |
| 397 | S | A | 0.4950 | |
| 398 | Q | A | 0.1737 | |
| 399 | A | A | 0.2833 | |
| 400 | L | A | 0.8391 | |
| 401 | F | A | 0.0000 | |
| 402 | F | A | 0.8733 | |
| 403 | K | A | -0.6547 | |
| 404 | N | A | -0.2072 | |
| 405 | I | A | 0.9074 | |
| 406 | M | A | 0.8784 | |
| 407 | N | A | 0.0000 | |
| 408 | I | A | 1.5271 | |
| 409 | I | A | 1.6771 | |
| 410 | D | A | 0.0000 | |
| 411 | I | A | 1.4941 | |
| 412 | V | A | 1.5397 | |
| 413 | S | A | 0.0000 | |
| 414 | I | A | 0.0000 | |
| 415 | L | A | 1.7041 | |
| 416 | P | A | 0.0000 | |
| 417 | Y | A | 1.2556 | |
| 418 | F | A | 1.7816 | |
| 419 | I | A | 1.7900 | |
| 420 | T | A | 0.6871 | |
| 421 | L | A | 0.7054 | |
| 422 | G | A | 0.4584 | |
| 423 | T | A | 0.0449 | |
| 424 | D | A | -1.3113 | |
| 425 | L | A | -0.0787 | |
| 426 | A | A | -0.9218 | |
| 427 | Q | A | -1.9326 | |
| 428 | Q | A | -2.0638 | |
| 429 | Q | A | -2.1372 | |
| 430 | G | A | -2.0524 | |
| 431 | G | A | -1.8612 | |
| 432 | G | A | -1.7716 | |
| 433 | N | A | -2.4983 | |
| 434 | G | A | -2.6991 | |
| 435 | Q | A | -2.7344 | |
| 436 | Q | A | -2.6289 | |
| 437 | Q | A | -2.3825 | |
| 438 | Q | A | -1.6456 | |
| 439 | A | A | -0.3155 | |
| 440 | M | A | 0.5308 | |
| 441 | S | A | 0.2286 | |
| 442 | F | A | 1.5290 | |
| 443 | A | A | 1.3056 | |
| 444 | I | A | 1.8054 | |
| 445 | L | A | 1.0795 | |
| 446 | R | A | 0.0567 | |
| 447 | I | A | 2.1146 | |
| 448 | I | A | 1.5957 | |
| 449 | R | A | 0.3867 | |
| 450 | L | A | 1.9130 | |
| 451 | V | A | 1.6424 | |
| 452 | R | A | 1.3359 | |
| 453 | V | A | 1.8137 | |
| 454 | F | A | 1.9865 | |
| 455 | R | A | 0.0000 | |
| 456 | I | A | 1.8991 | |
| 457 | F | A | 1.9763 | |
| 458 | K | A | 0.0000 | |
| 459 | L | A | 1.0647 | |
| 460 | S | A | 0.0000 | |
| 461 | R | A | -0.1306 | |
| 462 | H | A | -0.3266 | |
| 463 | S | A | -0.4453 | |
| 464 | K | A | -1.1840 | |
| 465 | G | A | -0.4853 | |
| 466 | L | A | 0.0309 | |
| 467 | Q | A | -0.5885 | |
| 468 | I | A | 0.0000 | |
| 469 | L | A | 0.2326 | |
| 470 | G | A | -0.5452 | |
| 471 | H | A | -1.1146 | |
| 472 | T | A | 0.0000 | |
| 473 | L | A | -0.3352 | |
| 474 | R | A | -1.7129 | |
| 475 | A | A | -0.7553 | |
| 476 | S | A | 0.0000 | |
| 477 | M | A | -0.0952 | |
| 478 | R | A | -1.1860 | |
| 479 | E | A | 0.0000 | |
| 480 | L | A | 0.8665 | |
| 481 | G | A | 0.9377 | |
| 482 | L | A | 2.0652 | |
| 483 | L | A | 2.4651 | |
| 484 | I | A | 3.3207 | |
| 485 | F | A | 4.2492 | |
| 486 | F | A | 3.4775 | |
| 487 | L | A | 3.6580 | |
| 488 | F | A | 4.9254 | |
| 489 | I | A | 4.3273 | |
| 490 | G | A | 3.1635 | |
| 491 | V | A | 0.0000 | |
| 492 | I | A | 3.9179 | |
| 493 | L | A | 3.1288 | |
| 494 | F | A | 0.0000 | |
| 495 | S | A | 0.0000 | |
| 496 | S | A | 1.7801 | |
| 497 | A | A | 1.6562 | |
| 498 | V | A | 0.0000 | |
| 499 | Y | A | 0.7656 | |
| 500 | F | A | 1.8611 | |
| 501 | A | A | 1.0251 | |
| 502 | E | A | 0.0000 | |
| 503 | A | A | -0.5410 | |
| 504 | D | A | -1.6947 | |
| 505 | E | A | -1.4444 | |
| 506 | P | A | -1.2070 | |
| 507 | T | A | -0.8037 | |
| 508 | T | A | -1.3451 | |
| 509 | H | A | -2.0492 | |
| 510 | F | A | 0.0000 | |
| 511 | Q | A | -1.6718 | |
| 512 | S | A | -0.5874 | |
| 513 | I | A | 0.8836 | |
| 514 | P | A | 0.0302 | |
| 515 | D | A | -0.9373 | |
| 516 | A | A | 0.0000 | |
| 517 | F | A | 1.8305 | |
| 518 | W | A | 0.9485 | |
| 519 | W | A | 0.0000 | |
| 520 | A | A | 0.0000 | |
| 521 | V | A | 1.7643 | |
| 522 | V | A | 0.0000 | |
| 523 | T | A | 0.9918 | |
| 524 | M | A | 0.0000 | |
| 525 | T | A | 1.0217 | |
| 526 | T | A | 1.3496 | |
| 527 | V | A | 1.6471 | |
| 528 | G | A | 0.3524 | |
| 529 | Y | A | 0.6045 | |
| 530 | G | A | -0.9873 | |
| 531 | D | A | -1.9171 | |
| 532 | M | A | -1.6819 | |
| 533 | K | A | -2.3768 | |
| 534 | P | A | -0.7203 | |
| 535 | I | A | -0.0202 | |
| 536 | T | A | 0.4516 | |
| 537 | V | A | 1.7792 | |
| 538 | G | A | 1.2295 | |
| 539 | G | A | 0.0000 | |
| 540 | K | A | -0.2344 | |
| 541 | I | A | 1.7241 | |
| 542 | V | A | 1.2585 | |
| 543 | G | A | 0.2984 | |
| 544 | S | A | 0.7799 | |
| 545 | L | A | 1.5073 | |
| 546 | C | A | 0.0000 | |
| 547 | A | A | 1.6932 | |
| 548 | I | A | 2.7470 | |
| 549 | A | A | 2.1726 | |
| 550 | G | A | 0.0000 | |
| 551 | V | A | 2.7989 | |
| 552 | L | A | 2.1994 | |
| 553 | T | A | 2.2940 | |
| 554 | I | A | 1.8033 | |
| 555 | A | A | 1.2448 | |
| 556 | L | A | 0.8115 | |
| 557 | P | A | 0.0000 | |
| 558 | V | A | 1.3892 | |
| 559 | P | A | 0.6840 | |
| 560 | V | A | 0.0000 | |
| 561 | I | A | 1.3922 | |
| 562 | V | A | 1.4402 | |
| 563 | S | A | 0.5141 | |
| 564 | N | A | 0.0000 | |
| 565 | F | A | 0.8422 | |
| 566 | N | A | -0.2258 | |
| 567 | Y | A | 0.3179 | |
| 568 | F | A | 0.3196 | |
| 569 | Y | A | 0.2297 | |
| 570 | H | A | -0.7646 | |
| 571 | R | A | -1.0483 | |
| 572 | E | A | -2.1916 | |
| 573 | T | A | -2.1072 | |
| 574 | E | A | -2.6536 | |
| 575 | N | A | -3.6051 | |
| 576 | E | A | -3.9553 | |
| 577 | E | A | -3.7949 | |
| 578 | Q | A | -2.8634 | |
| 579 | T | A | -2.5871 | |
| 580 | Q | A | -2.8403 | |
| 581 | L | A | -1.4198 | |
| 582 | T | A | -1.4264 | |
| 583 | Q | A | -1.6909 | |
| 584 | N | A | -1.2432 | |
| 585 | A | A | -0.2263 | |
| 586 | V | A | 1.3247 | |
| 587 | S | A | 0.2927 | |
| 588 | C | A | 0.9022 | |
| 589 | P | A | 0.8279 | |
| 590 | Y | A | 1.4864 | |
| 591 | L | A | 1.3507 | |
| 592 | P | A | -0.0613 | |
| 593 | S | A | -0.7560 | |
| 594 | N | A | -1.7302 | |
| 595 | L | A | -0.9475 | |
| 596 | L | A | -1.1733 | |
| 597 | K | A | -2.9916 | |
| 598 | K | A | -2.6801 | |
| 599 | F | A | -1.1699 | |
| 600 | R | A | -2.4712 | |
| 601 | S | A | -1.8458 | |
| 602 | S | A | -1.1061 | |
| 603 | T | A | -0.5256 | |
| 604 | S | A | -0.3593 | |
| 605 | S | A | -0.1560 | |
| 606 | S | A | -0.3205 | |
| 607 | L | A | 0.2625 | |
| 608 | G | A | -1.7640 | |
| 609 | D | A | -3.0019 | |
| 610 | K | A | -2.8020 | |
| 611 | S | A | -1.7696 | |
| 612 | E | A | -2.5692 | |
| 613 | Y | A | 0.3052 | |
| 614 | L | A | -0.0826 | |
| 615 | E | A | -1.7773 | |
| 616 | M | A | -0.8132 | |
| 617 | E | A | -2.5649 | |
| 618 | E | A | -3.0178 | |
| 619 | G | A | -1.7950 | |
| 620 | V | A | -0.3120 | |
| 621 | K | A | -2.0147 | |
| 622 | E | A | -2.0007 | |
| 623 | S | A | -0.3586 | |
| 624 | L | A | 0.7293 | |
| 625 | C | A | -0.1727 | |
| 626 | G | A | -1.3479 | |
| 627 | K | A | -2.9282 | |
| 628 | E | A | -3.8561 | |
| 629 | E | A | -3.8561 | |
| 630 | K | A | -2.8560 | |
| 631 | C | A | -1.4201 | |
| 632 | Q | A | -1.8157 | |
| 633 | G | A | -1.8681 | |
| 634 | K | A | -2.7751 | |
| 635 | G | A | -2.6661 | |
| 636 | D | A | -3.3298 | |
| 637 | D | A | -3.3289 | |
| 638 | S | A | -2.4282 | |
| 639 | E | A | -2.7479 | |
| 640 | T | A | -2.3899 | |
| 641 | D | A | -3.3040 | |
| 642 | K | A | -3.5270 | |
| 643 | N | A | -2.9933 | |
| 644 | N | A | -2.1112 | |
| 645 | C | A | -0.5729 | |
| 646 | S | A | -1.1428 | |
| 647 | N | A | -1.8054 | |
| 648 | A | A | -1.1014 | |
| 649 | K | A | -1.7904 | |
| 650 | A | A | -0.5696 | |
| 651 | V | A | 0.2403 | |
| 652 | E | A | -1.4424 | |
| 653 | T | A | -0.9101 | |
| 654 | D | A | -1.2173 | |
| 655 | V | A | 0.6918 |
Calculations for various pH values
This page contains details and comparisons for all models calculated at different pH points.
pH |
Average A3D Score |
Max A3D Score |
|||
| 4.0 | -0.2104 | 9.0766 | View | CSV | PDB |
| 4.5 | -0.3217 | 9.0766 | View | CSV | PDB |
| 5.0 | -0.4671 | 9.0766 | View | CSV | PDB |
| 5.5 | -0.6195 | 9.0766 | View | CSV | PDB |
| 6.0 | -0.752 | 9.0766 | View | CSV | PDB |
| 6.5 | -0.8457 | 9.0766 | View | CSV | PDB |
| 7.0 | -0.8967 | 9.0766 | View | CSV | PDB |
| 7.5 | -0.9173 | 9.0766 | View | CSV | PDB |
| 8.0 | -0.9218 | 9.0766 | View | CSV | PDB |
| 8.5 | -0.9163 | 9.0766 | View | CSV | PDB |
| 9.0 | -0.9005 | 9.0766 | 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