| Chain sequence(s) |
A: MAAKSSSSSTTTNVVTLKAAWVLPQRTQNIREVYEVGRKLGQGQFGTTFECTRRASGGKFACKSIPKRKLLCKEDYEDVWREIQIMHHLSEHANVVRIEGTYEDSTAVHLVMELCEGGELFDRIVQKGHYSERQAARLIKTIVEVVEACHSLGVMHRDLKPENFLFDTIDEDAKLKATDFGLSVFYKPGESFCDVVGSPYYVAPEVLRKLYGPESDVWSAGVILYILLSGVPPFWAESEPGIFRQILLGKLDFHSEPWPSISDSAKDLIRKMLDQNPKTRLTAHEVLRHPWIVDDNIAPDKPLDSAVLSRLKQFSAMNKLKKMALRVIAERLSEEEIGGLKELFKMIDTDNSGTITFDELKDGLKRVGSELMESEIKDLMDAADIDKSGTIDYGEFIAATVHLNKLEREENLVSAFSYFDKDGSGYITLDEIQQACKDFGLDDIHIDDMIKEIDQDNDGQIDYGEFAAMMRKGNGGIGRRTMRKTLNLRDALGLVDNGSNQVIEGYFK
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 globular. Max score is recommended for pH analysis. (00:00:02)
[INFO] FoldX: Starting FoldX energy minimization (00:00:02)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:08:24)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/5facd4494ac3408/tmp/folded.pdb (00:08:24)
[INFO] Main: Simulation completed successfully. (00:10:44)
|
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 | 1.0979 | |
| 2 | A | A | 0.2609 | |
| 3 | A | A | -0.5473 | |
| 4 | K | A | -1.8109 | |
| 5 | S | A | -1.1756 | |
| 6 | S | A | -0.8846 | |
| 7 | S | A | -0.5213 | |
| 8 | S | A | -0.4966 | |
| 9 | S | A | -0.4436 | |
| 10 | T | A | -0.4649 | |
| 11 | T | A | -0.3416 | |
| 12 | T | A | -0.0643 | |
| 13 | N | A | 0.0295 | |
| 14 | V | A | 2.1734 | |
| 15 | V | A | 2.4283 | |
| 16 | T | A | 1.5745 | |
| 17 | L | A | 1.4837 | |
| 18 | K | A | -0.6820 | |
| 19 | A | A | -0.3854 | |
| 20 | A | A | -0.2428 | |
| 21 | W | A | -0.4441 | |
| 22 | V | A | 0.0000 | |
| 23 | L | A | 0.0000 | |
| 24 | P | A | -1.1246 | |
| 25 | Q | A | -2.2984 | |
| 26 | R | A | -2.8005 | |
| 27 | T | A | -1.9999 | |
| 28 | Q | A | -2.5540 | |
| 29 | N | A | -2.4437 | |
| 30 | I | A | 0.0000 | |
| 31 | R | A | -3.4049 | |
| 32 | E | A | -3.4933 | |
| 33 | V | A | -2.2686 | |
| 34 | Y | A | 0.0000 | |
| 35 | E | A | -2.5137 | |
| 36 | V | A | -1.0308 | |
| 37 | G | A | -1.4507 | |
| 38 | R | A | -2.2221 | |
| 39 | K | A | -1.9181 | |
| 40 | L | A | -0.5750 | |
| 41 | G | A | -1.0629 | |
| 42 | Q | A | -1.7277 | |
| 43 | G | A | -1.6320 | |
| 44 | Q | A | -1.4328 | |
| 45 | F | A | -0.8268 | |
| 46 | G | A | -0.8707 | |
| 47 | T | A | -0.8543 | |
| 48 | T | A | -0.6277 | |
| 49 | F | A | -0.6541 | |
| 50 | E | A | -1.2383 | |
| 51 | C | A | 0.0000 | |
| 52 | T | A | -1.7728 | |
| 53 | R | A | -2.4166 | |
| 54 | R | A | -2.8900 | |
| 55 | A | A | -1.1618 | |
| 56 | S | A | -1.1454 | |
| 57 | G | A | -1.6113 | |
| 58 | G | A | -1.5645 | |
| 59 | K | A | -2.2363 | |
| 60 | F | A | -1.2689 | |
| 61 | A | A | 0.0000 | |
| 62 | C | A | 0.0000 | |
| 63 | K | A | 0.0000 | |
| 64 | S | A | -0.1441 | |
| 65 | I | A | 0.0000 | |
| 66 | P | A | -1.1519 | |
| 67 | K | A | 0.0000 | |
| 68 | R | A | -2.2952 | |
| 69 | K | A | -2.0275 | |
| 70 | L | A | -1.3127 | |
| 71 | L | A | 0.3322 | |
| 72 | C | A | -0.5916 | |
| 73 | K | A | -2.4606 | |
| 74 | E | A | -3.1226 | |
| 75 | D | A | -2.3248 | |
| 76 | Y | A | 0.0000 | |
| 77 | E | A | -2.8239 | |
| 78 | D | A | -2.6324 | |
| 79 | V | A | 0.0000 | |
| 80 | W | A | -1.2739 | |
| 81 | R | A | -1.6934 | |
| 82 | E | A | 0.0000 | |
| 83 | I | A | 0.0000 | |
| 84 | Q | A | -1.3955 | |
| 85 | I | A | 0.0000 | |
| 86 | M | A | 0.0000 | |
| 87 | H | A | -2.1481 | |
| 88 | H | A | -1.5415 | |
| 89 | L | A | 0.0000 | |
| 90 | S | A | -2.1285 | |
| 91 | E | A | -2.3993 | |
| 92 | H | A | -1.4504 | |
| 93 | A | A | -1.1464 | |
| 94 | N | A | -1.1496 | |
| 95 | V | A | 0.0000 | |
| 96 | V | A | 0.0000 | |
| 97 | R | A | -2.2504 | |
| 98 | I | A | 0.0000 | |
| 99 | E | A | -1.5702 | |
| 100 | G | A | -0.8891 | |
| 101 | T | A | -0.4087 | |
| 102 | Y | A | 0.0000 | |
| 103 | E | A | 0.0000 | |
| 104 | D | A | -0.9060 | |
| 105 | S | A | -0.3732 | |
| 106 | T | A | -0.6280 | |
| 107 | A | A | 0.0000 | |
| 108 | V | A | 0.0000 | |
| 109 | H | A | -0.1825 | |
| 110 | L | A | 0.0000 | |
| 111 | V | A | 0.0000 | |
| 112 | M | A | 0.0000 | |
| 113 | E | A | -1.3816 | |
| 114 | L | A | -0.8497 | |
| 115 | C | A | -1.0024 | |
| 116 | E | A | -1.5796 | |
| 117 | G | A | 0.0000 | |
| 118 | G | A | -1.2822 | |
| 119 | E | A | -2.1323 | |
| 120 | L | A | 0.0000 | |
| 121 | F | A | -1.0448 | |
| 122 | D | A | -2.2130 | |
| 123 | R | A | -1.2876 | |
| 124 | I | A | -0.7986 | |
| 125 | V | A | -0.9287 | |
| 126 | Q | A | -1.6585 | |
| 127 | K | A | -2.2719 | |
| 128 | G | A | 0.0000 | |
| 129 | H | A | -2.0755 | |
| 130 | Y | A | -1.3215 | |
| 131 | S | A | 0.0000 | |
| 132 | E | A | 0.0000 | |
| 133 | R | A | -2.2707 | |
| 134 | Q | A | -1.8801 | |
| 135 | A | A | 0.0000 | |
| 136 | A | A | 0.0000 | |
| 137 | R | A | -2.2269 | |
| 138 | L | A | -1.2948 | |
| 139 | I | A | 0.0000 | |
| 140 | K | A | -1.4467 | |
| 141 | T | A | -1.3116 | |
| 142 | I | A | 0.0000 | |
| 143 | V | A | 0.0000 | |
| 144 | E | A | -1.5557 | |
| 145 | V | A | 0.0000 | |
| 146 | V | A | 0.0000 | |
| 147 | E | A | -1.2128 | |
| 148 | A | A | -0.5749 | |
| 149 | C | A | 0.0000 | |
| 150 | H | A | -0.5470 | |
| 151 | S | A | -0.1282 | |
| 152 | L | A | 0.4379 | |
| 153 | G | A | -0.0572 | |
| 154 | V | A | 0.0000 | |
| 155 | M | A | 0.0000 | |
| 156 | H | A | 0.0000 | |
| 157 | R | A | -0.0742 | |
| 158 | D | A | 0.0000 | |
| 159 | L | A | 0.0000 | |
| 160 | K | A | -0.8383 | |
| 161 | P | A | 0.0000 | |
| 162 | E | A | -2.3230 | |
| 163 | N | A | 0.0000 | |
| 164 | F | A | 0.0000 | |
| 165 | L | A | -1.2193 | |
| 166 | F | A | -1.4770 | |
| 167 | D | A | -1.3386 | |
| 168 | T | A | -1.1380 | |
| 169 | I | A | -0.2521 | |
| 170 | D | A | -2.6905 | |
| 171 | E | A | -3.4614 | |
| 172 | D | A | -3.3456 | |
| 173 | A | A | -2.5309 | |
| 174 | K | A | -2.3471 | |
| 175 | L | A | 0.0000 | |
| 176 | K | A | 0.0000 | |
| 177 | A | A | 0.0000 | |
| 178 | T | A | -0.6941 | |
| 179 | D | A | -0.7788 | |
| 180 | F | A | 0.0000 | |
| 181 | G | A | -0.5869 | |
| 182 | L | A | -0.2799 | |
| 183 | S | A | 0.0000 | |
| 184 | V | A | 0.0000 | |
| 185 | F | A | 0.2299 | |
| 186 | Y | A | 0.0000 | |
| 187 | K | A | -2.1509 | |
| 188 | P | A | -1.7391 | |
| 189 | G | A | -1.6981 | |
| 190 | E | A | -1.8887 | |
| 191 | S | A | -0.9175 | |
| 192 | F | A | -0.0126 | |
| 193 | C | A | -0.3058 | |
| 194 | D | A | -1.1159 | |
| 195 | V | A | 0.2924 | |
| 196 | V | A | 0.2220 | |
| 197 | G | A | -0.0173 | |
| 198 | S | A | -0.1276 | |
| 199 | P | A | -0.3224 | |
| 200 | Y | A | -0.1358 | |
| 201 | Y | A | 0.0436 | |
| 202 | V | A | 0.0000 | |
| 203 | A | A | 0.0000 | |
| 204 | P | A | 0.0000 | |
| 205 | E | A | 0.0000 | |
| 206 | V | A | 0.0000 | |
| 207 | L | A | -0.7241 | |
| 208 | R | A | -1.8346 | |
| 209 | K | A | -1.5044 | |
| 210 | L | A | 0.2126 | |
| 211 | Y | A | 0.0000 | |
| 212 | G | A | -0.8220 | |
| 213 | P | A | -0.8760 | |
| 214 | E | A | -0.9812 | |
| 215 | S | A | 0.0000 | |
| 216 | D | A | 0.0000 | |
| 217 | V | A | 0.0000 | |
| 218 | W | A | 0.0000 | |
| 219 | S | A | 0.0000 | |
| 220 | A | A | 0.0000 | |
| 221 | G | A | 0.0000 | |
| 222 | V | A | 0.0000 | |
| 223 | I | A | 0.0000 | |
| 224 | L | A | 0.0000 | |
| 225 | Y | A | 0.0000 | |
| 226 | I | A | 0.1545 | |
| 227 | L | A | 0.0000 | |
| 228 | L | A | 0.0000 | |
| 229 | S | A | 0.0000 | |
| 230 | G | A | -0.2347 | |
| 231 | V | A | 0.0338 | |
| 232 | P | A | 0.1621 | |
| 233 | P | A | -0.3260 | |
| 234 | F | A | 0.0000 | |
| 235 | W | A | -0.8459 | |
| 236 | A | A | -1.5952 | |
| 237 | E | A | -2.6135 | |
| 238 | S | A | -2.2211 | |
| 239 | E | A | -2.4120 | |
| 240 | P | A | -1.2746 | |
| 241 | G | A | -1.7333 | |
| 242 | I | A | 0.0000 | |
| 243 | F | A | -0.8118 | |
| 244 | R | A | -1.4767 | |
| 245 | Q | A | -1.1254 | |
| 246 | I | A | 0.0000 | |
| 247 | L | A | 0.1533 | |
| 248 | L | A | 0.7268 | |
| 249 | G | A | -0.6028 | |
| 250 | K | A | -1.4913 | |
| 251 | L | A | -1.4057 | |
| 252 | D | A | -1.4099 | |
| 253 | F | A | -1.4152 | |
| 254 | H | A | -1.5476 | |
| 255 | S | A | -1.7273 | |
| 256 | E | A | -2.4923 | |
| 257 | P | A | -1.7442 | |
| 258 | W | A | 0.0000 | |
| 259 | P | A | -1.2575 | |
| 260 | S | A | -1.1778 | |
| 261 | I | A | 0.0000 | |
| 262 | S | A | -1.0135 | |
| 263 | D | A | -1.9671 | |
| 264 | S | A | -1.2233 | |
| 265 | A | A | 0.0000 | |
| 266 | K | A | -1.6259 | |
| 267 | D | A | -1.9082 | |
| 268 | L | A | 0.0000 | |
| 269 | I | A | 0.0000 | |
| 270 | R | A | -2.5113 | |
| 271 | K | A | -2.1761 | |
| 272 | M | A | 0.0000 | |
| 273 | L | A | 0.0000 | |
| 274 | D | A | -1.7847 | |
| 275 | Q | A | -1.3463 | |
| 276 | N | A | -1.5312 | |
| 277 | P | A | -1.5499 | |
| 278 | K | A | -2.0906 | |
| 279 | T | A | -1.3575 | |
| 280 | R | A | 0.0000 | |
| 281 | L | A | -1.2640 | |
| 282 | T | A | -1.3881 | |
| 283 | A | A | 0.0000 | |
| 284 | H | A | -2.2609 | |
| 285 | E | A | -2.3604 | |
| 286 | V | A | 0.0000 | |
| 287 | L | A | -1.6614 | |
| 288 | R | A | -2.3816 | |
| 289 | H | A | 0.0000 | |
| 290 | P | A | -0.7717 | |
| 291 | W | A | 0.0000 | |
| 292 | I | A | 0.0000 | |
| 293 | V | A | -0.7131 | |
| 294 | D | A | -1.4949 | |
| 295 | D | A | -2.5300 | |
| 296 | N | A | -2.0513 | |
| 297 | I | A | -0.9007 | |
| 298 | A | A | 0.0000 | |
| 299 | P | A | -1.7213 | |
| 300 | D | A | -2.8439 | |
| 301 | K | A | -2.4970 | |
| 302 | P | A | -1.9119 | |
| 303 | L | A | -1.5298 | |
| 304 | D | A | -2.2357 | |
| 305 | S | A | -0.9723 | |
| 306 | A | A | -0.9884 | |
| 307 | V | A | -0.4102 | |
| 308 | L | A | 0.0000 | |
| 309 | S | A | -1.3304 | |
| 310 | R | A | -0.9601 | |
| 311 | L | A | 0.0000 | |
| 312 | K | A | -1.9688 | |
| 313 | Q | A | -1.3479 | |
| 314 | F | A | 0.0000 | |
| 315 | S | A | -1.2856 | |
| 316 | A | A | -0.9247 | |
| 317 | M | A | 0.0000 | |
| 318 | N | A | -0.9741 | |
| 319 | K | A | -0.7155 | |
| 320 | L | A | 0.0000 | |
| 321 | K | A | 0.0000 | |
| 322 | K | A | -0.4634 | |
| 323 | M | A | 0.0000 | |
| 324 | A | A | 0.0000 | |
| 325 | L | A | 0.0000 | |
| 326 | R | A | 0.0000 | |
| 327 | V | A | 0.0000 | |
| 328 | I | A | 0.0000 | |
| 329 | A | A | 0.0000 | |
| 330 | E | A | -2.8856 | |
| 331 | R | A | -3.0178 | |
| 332 | L | A | 0.0000 | |
| 333 | S | A | -2.7388 | |
| 334 | E | A | -3.3663 | |
| 335 | E | A | -3.3000 | |
| 336 | E | A | -2.4674 | |
| 337 | I | A | 0.0000 | |
| 338 | G | A | -2.1317 | |
| 339 | G | A | -1.6174 | |
| 340 | L | A | -1.2232 | |
| 341 | K | A | -2.1830 | |
| 342 | E | A | -2.6010 | |
| 343 | L | A | -1.3688 | |
| 344 | F | A | 0.0000 | |
| 345 | K | A | -2.4871 | |
| 346 | M | A | -1.5677 | |
| 347 | I | A | 0.0000 | |
| 348 | D | A | 0.0000 | |
| 349 | T | A | -1.8900 | |
| 350 | D | A | -2.7247 | |
| 351 | N | A | -2.6180 | |
| 352 | S | A | -1.7450 | |
| 353 | G | A | -1.3207 | |
| 354 | T | A | -1.0642 | |
| 355 | I | A | 0.0000 | |
| 356 | T | A | -1.0886 | |
| 357 | F | A | -1.4351 | |
| 358 | D | A | -2.5338 | |
| 359 | E | A | -2.0178 | |
| 360 | L | A | 0.0000 | |
| 361 | K | A | -2.7715 | |
| 362 | D | A | -3.1636 | |
| 363 | G | A | 0.0000 | |
| 364 | L | A | 0.0000 | |
| 365 | K | A | -2.9296 | |
| 366 | R | A | -2.7700 | |
| 367 | V | A | -1.9281 | |
| 368 | G | A | -2.1211 | |
| 369 | S | A | -2.0092 | |
| 370 | E | A | -2.1559 | |
| 371 | L | A | -1.1588 | |
| 372 | M | A | -0.6714 | |
| 373 | E | A | -2.0277 | |
| 374 | S | A | -1.8246 | |
| 375 | E | A | -2.7757 | |
| 376 | I | A | 0.0000 | |
| 377 | K | A | -3.0120 | |
| 378 | D | A | -3.4218 | |
| 379 | L | A | 0.0000 | |
| 380 | M | A | 0.0000 | |
| 381 | D | A | -2.5986 | |
| 382 | A | A | -1.7504 | |
| 383 | A | A | 0.0000 | |
| 384 | D | A | 0.0000 | |
| 385 | I | A | 0.0000 | |
| 386 | D | A | -2.3472 | |
| 387 | K | A | -2.6624 | |
| 388 | S | A | -1.6469 | |
| 389 | G | A | -1.3994 | |
| 390 | T | A | -0.8875 | |
| 391 | I | A | 0.0000 | |
| 392 | D | A | -0.5016 | |
| 393 | Y | A | -0.3907 | |
| 394 | G | A | -0.7688 | |
| 395 | E | A | 0.0000 | |
| 396 | F | A | 0.0000 | |
| 397 | I | A | 0.0000 | |
| 398 | A | A | 0.0000 | |
| 399 | A | A | 0.0000 | |
| 400 | T | A | 0.0000 | |
| 401 | V | A | 0.0000 | |
| 402 | H | A | -0.7318 | |
| 403 | L | A | -0.9356 | |
| 404 | N | A | -1.7102 | |
| 405 | K | A | -1.4690 | |
| 406 | L | A | 0.0000 | |
| 407 | E | A | -2.4105 | |
| 408 | R | A | -2.3369 | |
| 409 | E | A | -2.6332 | |
| 410 | E | A | -2.4047 | |
| 411 | N | A | -1.6702 | |
| 412 | L | A | 0.0000 | |
| 413 | V | A | 0.5351 | |
| 414 | S | A | -0.3316 | |
| 415 | A | A | 0.0000 | |
| 416 | F | A | 0.0000 | |
| 417 | S | A | -0.2949 | |
| 418 | Y | A | -0.2652 | |
| 419 | F | A | 0.0000 | |
| 420 | D | A | -1.5007 | |
| 421 | K | A | -2.7766 | |
| 422 | D | A | -2.7791 | |
| 423 | G | A | -1.8653 | |
| 424 | S | A | -1.2199 | |
| 425 | G | A | -0.7370 | |
| 426 | Y | A | -0.3052 | |
| 427 | I | A | 0.0000 | |
| 428 | T | A | -0.9073 | |
| 429 | L | A | -0.6708 | |
| 430 | D | A | -1.9569 | |
| 431 | E | A | 0.0000 | |
| 432 | I | A | 0.0000 | |
| 433 | Q | A | -2.4884 | |
| 434 | Q | A | -2.4037 | |
| 435 | A | A | 0.0000 | |
| 436 | C | A | 0.0000 | |
| 437 | K | A | -3.6919 | |
| 438 | D | A | -3.1926 | |
| 439 | F | A | 0.0000 | |
| 440 | G | A | -2.6509 | |
| 441 | L | A | 0.0000 | |
| 442 | D | A | -3.6668 | |
| 443 | D | A | -2.9227 | |
| 444 | I | A | -2.1309 | |
| 445 | H | A | -2.3485 | |
| 446 | I | A | 0.0000 | |
| 447 | D | A | -3.0522 | |
| 448 | D | A | -3.6767 | |
| 449 | M | A | -2.4958 | |
| 450 | I | A | 0.0000 | |
| 451 | K | A | -4.4560 | |
| 452 | E | A | -3.6014 | |
| 453 | I | A | 0.0000 | |
| 454 | D | A | 0.0000 | |
| 455 | Q | A | -3.5610 | |
| 456 | D | A | -3.8958 | |
| 457 | N | A | -4.0302 | |
| 458 | D | A | -3.6543 | |
| 459 | G | A | -2.5376 | |
| 460 | Q | A | -1.9237 | |
| 461 | I | A | 0.0000 | |
| 462 | D | A | -1.1541 | |
| 463 | Y | A | 0.2392 | |
| 464 | G | A | -0.5811 | |
| 465 | E | A | -1.0620 | |
| 466 | F | A | 0.0000 | |
| 467 | A | A | -0.9354 | |
| 468 | A | A | -1.3340 | |
| 469 | M | A | 0.0000 | |
| 470 | M | A | 0.0000 | |
| 471 | R | A | -2.7501 | |
| 472 | K | A | -3.0716 | |
| 473 | G | A | -2.4337 | |
| 474 | N | A | -2.2141 | |
| 475 | G | A | -1.4787 | |
| 476 | G | A | -1.0254 | |
| 477 | I | A | 0.5513 | |
| 478 | G | A | -1.1156 | |
| 479 | R | A | -2.6591 | |
| 480 | R | A | -2.6719 | |
| 481 | T | A | -1.7541 | |
| 482 | M | A | -1.1664 | |
| 483 | R | A | -2.5213 | |
| 484 | K | A | -2.1726 | |
| 485 | T | A | -0.5208 | |
| 486 | L | A | 0.4626 | |
| 487 | N | A | -0.8057 | |
| 488 | L | A | 0.1347 | |
| 489 | R | A | -1.8093 | |
| 490 | D | A | -2.1187 | |
| 491 | A | A | -0.2214 | |
| 492 | L | A | 1.0218 | |
| 493 | G | A | 1.0095 | |
| 494 | L | A | 2.1865 | |
| 495 | V | A | 1.1330 | |
| 496 | D | A | -1.2156 | |
| 497 | N | A | -2.0077 | |
| 498 | G | A | -1.8030 | |
| 499 | S | A | -1.6067 | |
| 500 | N | A | -1.7671 | |
| 501 | Q | A | -0.8922 | |
| 502 | V | A | 1.3279 | |
| 503 | I | A | 1.8777 | |
| 504 | E | A | -0.0752 | |
| 505 | G | A | 0.3439 | |
| 506 | Y | A | 1.5432 | |
| 507 | F | A | 1.3386 | |
| 508 | K | A | -0.5375 |
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 globular. Max score is recommended for pH analysis.
pH |
Average A4D Score |
Max A4D Score |
|||
| 4.0 | -0.8718 | 3.358 | View | CSV | PDB |
| 4.5 | -0.9661 | 3.2443 | View | CSV | PDB |
| 5.0 | -1.08 | 3.067 | View | CSV | PDB |
| 5.5 | -1.1944 | 2.9523 | View | CSV | PDB |
| 6.0 | -1.2911 | 2.9522 | View | CSV | PDB |
| 6.5 | -1.3569 | 3.0259 | View | CSV | PDB |
| 7.0 | -1.3907 | 3.1795 | View | CSV | PDB |
| 7.5 | -1.4015 | 3.3867 | View | CSV | PDB |
| 8.0 | -1.398 | 3.6187 | View | CSV | PDB |
| 8.5 | -1.3819 | 3.859 | View | CSV | PDB |
| 9.0 | -1.3507 | 4.099 | 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