| Chain sequence(s) |
A: MSDIFEEAASFRSYQSKLGRDGRASAATATLTTKIRIFVPATNSPELRWELTLFALDVIRSPSAAESMKVGAAFTLISMYSERPGALIRSLLNDPDIEAVIIDVGSMVNGIPVMERRGDKAQEEMEGLMRILKTARDSSKGKTPFVDSRAYGLRITDMSTLVSAVITIEAQIWILIAKAVTAPDTAEESETRRWAKYVQQKRVNPFFALTQQWLTEMRNLLSQSLSVRKFMVEILIEVKKGGSAKGRAVEIISDIGNYVEETGMAGFFATIRFGLETRYPALALNEFQSDLNTIKSLMLLYREIGPRAPYMVLLEESIQTKFAPGGYPLLWSFAMGVATTIDRSMGALNINRGYLEPMYFRLGQKSARHHAGGIDQNMANRLGLSSDQVAELAAAVQETSAGRQESNVQAREAKFAAGGVLIGGSDQDIDEGEEPIEQSGRQSVTFKREMSISSLANSVPSSSVSTSGGTRLTNSLLNLRSRLAAKAAKEAASSNATDDPAISNRTQGESEKKNNQDLKPAQNDLDFVRADV
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 (00:00:03)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:06:53)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/ad9a88ed0a5c4f0/tmp/folded.pdb (00:06:53)
[INFO] Main: Simulation completed successfully. (00:09:22)
|
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 | M | A | 0.9837 | |
| 2 | S | A | -0.1107 | |
| 3 | D | A | -1.2701 | |
| 4 | I | A | 0.7093 | |
| 5 | F | A | 1.0128 | |
| 6 | E | A | -1.7430 | |
| 7 | E | A | -1.7977 | |
| 8 | A | A | -0.2497 | |
| 9 | A | A | -0.6451 | |
| 10 | S | A | -0.3420 | |
| 11 | F | A | 0.4130 | |
| 12 | R | A | -1.4754 | |
| 13 | S | A | -0.5346 | |
| 14 | Y | A | 0.6463 | |
| 15 | Q | A | -0.7597 | |
| 16 | S | A | -1.2106 | |
| 17 | K | A | -2.0202 | |
| 18 | L | A | -0.7326 | |
| 19 | G | A | -1.9747 | |
| 20 | R | A | -3.5518 | |
| 21 | D | A | -3.5859 | |
| 22 | G | A | -2.7492 | |
| 23 | R | A | -2.9000 | |
| 24 | A | A | -1.5246 | |
| 25 | S | A | -0.7951 | |
| 26 | A | A | -0.2608 | |
| 27 | A | A | -0.0090 | |
| 28 | T | A | -0.0675 | |
| 29 | A | A | 0.1303 | |
| 30 | T | A | 0.3586 | |
| 31 | L | A | 0.8841 | |
| 32 | T | A | -0.5649 | |
| 33 | T | A | -1.3218 | |
| 34 | K | A | -2.0227 | |
| 35 | I | A | 0.0000 | |
| 36 | R | A | -0.8730 | |
| 37 | I | A | 0.0000 | |
| 38 | F | A | 0.0000 | |
| 39 | V | A | 0.0000 | |
| 40 | P | A | 0.0000 | |
| 41 | A | A | -1.0313 | |
| 42 | T | A | -1.3850 | |
| 43 | N | A | -1.8813 | |
| 44 | S | A | -0.8874 | |
| 45 | P | A | -0.8052 | |
| 46 | E | A | -1.1853 | |
| 47 | L | A | 0.0000 | |
| 48 | R | A | 0.0000 | |
| 49 | W | A | 0.0000 | |
| 50 | E | A | -1.0011 | |
| 51 | L | A | 0.0000 | |
| 52 | T | A | 0.0000 | |
| 53 | L | A | -0.0871 | |
| 54 | F | A | 0.0000 | |
| 55 | A | A | 0.0000 | |
| 56 | L | A | 0.0000 | |
| 57 | D | A | 0.0000 | |
| 58 | V | A | 0.0000 | |
| 59 | I | A | 0.0000 | |
| 60 | R | A | 0.0000 | |
| 61 | S | A | 0.0000 | |
| 62 | P | A | -0.6571 | |
| 63 | S | A | -0.9750 | |
| 64 | A | A | 0.0000 | |
| 65 | A | A | -0.9300 | |
| 66 | E | A | -2.0664 | |
| 67 | S | A | -1.3451 | |
| 68 | M | A | -0.9453 | |
| 69 | K | A | -1.0485 | |
| 70 | V | A | 0.0000 | |
| 71 | G | A | 0.0000 | |
| 72 | A | A | 0.0000 | |
| 73 | A | A | 0.0000 | |
| 74 | F | A | 0.0000 | |
| 75 | T | A | 0.0000 | |
| 76 | L | A | 0.0000 | |
| 77 | I | A | 0.0000 | |
| 78 | S | A | 0.0000 | |
| 79 | M | A | 0.0000 | |
| 80 | Y | A | -0.4096 | |
| 81 | S | A | 0.0000 | |
| 82 | E | A | -2.8511 | |
| 83 | R | A | -2.7975 | |
| 84 | P | A | 0.0000 | |
| 85 | G | A | 0.0000 | |
| 86 | A | A | -1.3501 | |
| 87 | L | A | -1.0510 | |
| 88 | I | A | 0.0000 | |
| 89 | R | A | -1.8962 | |
| 90 | S | A | -1.1659 | |
| 91 | L | A | -1.0490 | |
| 92 | L | A | -1.2846 | |
| 93 | N | A | -2.0234 | |
| 94 | D | A | -1.4266 | |
| 95 | P | A | -1.1799 | |
| 96 | D | A | -1.5148 | |
| 97 | I | A | -1.4702 | |
| 98 | E | A | -2.0610 | |
| 99 | A | A | -1.3878 | |
| 100 | V | A | -0.5495 | |
| 101 | I | A | -0.3244 | |
| 102 | I | A | 0.0000 | |
| 103 | D | A | -1.2346 | |
| 104 | V | A | 0.0000 | |
| 105 | G | A | -0.9051 | |
| 106 | S | A | -0.3992 | |
| 107 | M | A | 0.0462 | |
| 108 | V | A | 0.1986 | |
| 109 | N | A | -0.9126 | |
| 110 | G | A | -0.4687 | |
| 111 | I | A | 0.0000 | |
| 112 | P | A | 0.0000 | |
| 113 | V | A | -0.4134 | |
| 114 | M | A | -1.8192 | |
| 115 | E | A | -3.2414 | |
| 116 | R | A | -4.1351 | |
| 117 | R | A | -4.0718 | |
| 118 | G | A | -3.7605 | |
| 119 | D | A | -4.2771 | |
| 120 | K | A | -4.5575 | |
| 121 | A | A | -4.1658 | |
| 122 | Q | A | -4.1861 | |
| 123 | E | A | -4.2522 | |
| 124 | E | A | -3.1371 | |
| 125 | M | A | -2.2187 | |
| 126 | E | A | -3.0665 | |
| 127 | G | A | -2.3685 | |
| 128 | L | A | 0.0000 | |
| 129 | M | A | -2.0373 | |
| 130 | R | A | -2.7076 | |
| 131 | I | A | -1.5686 | |
| 132 | L | A | 0.0000 | |
| 133 | K | A | -3.1972 | |
| 134 | T | A | -2.5625 | |
| 135 | A | A | 0.0000 | |
| 136 | R | A | -3.6068 | |
| 137 | D | A | -3.8465 | |
| 138 | S | A | -2.5165 | |
| 139 | S | A | -2.7711 | |
| 140 | K | A | -3.4348 | |
| 141 | G | A | -3.2346 | |
| 142 | K | A | -2.8045 | |
| 143 | T | A | -1.4128 | |
| 144 | P | A | 0.0000 | |
| 145 | F | A | 0.0000 | |
| 146 | V | A | 0.9390 | |
| 147 | D | A | -0.2254 | |
| 148 | S | A | -1.0879 | |
| 149 | R | A | -1.7156 | |
| 150 | A | A | 0.0000 | |
| 151 | Y | A | -0.8717 | |
| 152 | G | A | -1.2757 | |
| 153 | L | A | -1.2260 | |
| 154 | R | A | -2.0032 | |
| 155 | I | A | 0.0000 | |
| 156 | T | A | -0.8969 | |
| 157 | D | A | -0.7348 | |
| 158 | M | A | 0.1220 | |
| 159 | S | A | 0.1347 | |
| 160 | T | A | -0.1382 | |
| 161 | L | A | 0.0000 | |
| 162 | V | A | 0.8086 | |
| 163 | S | A | 0.0462 | |
| 164 | A | A | 0.0000 | |
| 165 | V | A | 0.0000 | |
| 166 | I | A | 0.0000 | |
| 167 | T | A | 0.0000 | |
| 168 | I | A | 0.0000 | |
| 169 | E | A | 0.0000 | |
| 170 | A | A | 0.0000 | |
| 171 | Q | A | 0.0000 | |
| 172 | I | A | 0.0000 | |
| 173 | W | A | 0.0000 | |
| 174 | I | A | 0.0000 | |
| 175 | L | A | 0.0000 | |
| 176 | I | A | 0.0000 | |
| 177 | A | A | -0.1965 | |
| 178 | K | A | -0.6255 | |
| 179 | A | A | 0.0000 | |
| 180 | V | A | -0.4753 | |
| 181 | T | A | -0.2678 | |
| 182 | A | A | -0.8145 | |
| 183 | P | A | -1.4393 | |
| 184 | D | A | -2.3347 | |
| 185 | T | A | -2.4632 | |
| 186 | A | A | 0.0000 | |
| 187 | E | A | -3.1634 | |
| 188 | E | A | -3.5000 | |
| 189 | S | A | -2.5682 | |
| 190 | E | A | 0.0000 | |
| 191 | T | A | -2.1145 | |
| 192 | R | A | -2.7811 | |
| 193 | R | A | -1.8223 | |
| 194 | W | A | -1.0852 | |
| 195 | A | A | -1.4987 | |
| 196 | K | A | -2.0468 | |
| 197 | Y | A | 0.0000 | |
| 198 | V | A | -1.9132 | |
| 199 | Q | A | -2.5288 | |
| 200 | Q | A | -2.8083 | |
| 201 | K | A | -3.0284 | |
| 202 | R | A | -2.5640 | |
| 203 | V | A | 0.0000 | |
| 204 | N | A | -1.0497 | |
| 205 | P | A | -0.1831 | |
| 206 | F | A | 0.1416 | |
| 207 | F | A | 0.0000 | |
| 208 | A | A | 0.3885 | |
| 209 | L | A | 0.0000 | |
| 210 | T | A | -0.3178 | |
| 211 | Q | A | -1.2297 | |
| 212 | Q | A | -1.5361 | |
| 213 | W | A | 0.0000 | |
| 214 | L | A | -1.0962 | |
| 215 | T | A | -1.6962 | |
| 216 | E | A | -1.7973 | |
| 217 | M | A | 0.0000 | |
| 218 | R | A | 0.0000 | |
| 219 | N | A | -1.9081 | |
| 220 | L | A | 0.0000 | |
| 221 | L | A | 0.0000 | |
| 222 | S | A | -1.0287 | |
| 223 | Q | A | -1.6010 | |
| 224 | S | A | -0.9163 | |
| 225 | L | A | -0.3627 | |
| 226 | S | A | -0.4853 | |
| 227 | V | A | 0.0000 | |
| 228 | R | A | 0.0000 | |
| 229 | K | A | -0.9761 | |
| 230 | F | A | 0.0000 | |
| 231 | M | A | 0.0000 | |
| 232 | V | A | 0.0000 | |
| 233 | E | A | -1.2233 | |
| 234 | I | A | 0.0000 | |
| 235 | L | A | 0.0000 | |
| 236 | I | A | 0.0000 | |
| 237 | E | A | -2.4652 | |
| 238 | V | A | 0.0000 | |
| 239 | K | A | -3.2024 | |
| 240 | K | A | -3.2284 | |
| 241 | G | A | -2.3143 | |
| 242 | G | A | -1.5220 | |
| 243 | S | A | -1.1542 | |
| 244 | A | A | -0.8523 | |
| 245 | K | A | -1.6908 | |
| 246 | G | A | -1.7192 | |
| 247 | R | A | -2.4206 | |
| 248 | A | A | -1.1846 | |
| 249 | V | A | -1.4598 | |
| 250 | E | A | -2.0628 | |
| 251 | I | A | 0.0000 | |
| 252 | I | A | 0.0000 | |
| 253 | S | A | -1.5663 | |
| 254 | D | A | -0.9553 | |
| 255 | I | A | 0.0000 | |
| 256 | G | A | 0.0000 | |
| 257 | N | A | -1.4178 | |
| 258 | Y | A | -0.4932 | |
| 259 | V | A | 0.0000 | |
| 260 | E | A | -1.2014 | |
| 261 | E | A | -1.1080 | |
| 262 | T | A | -0.7063 | |
| 263 | G | A | -0.6536 | |
| 264 | M | A | 0.0000 | |
| 265 | A | A | -0.2070 | |
| 266 | G | A | -0.3277 | |
| 267 | F | A | 0.0000 | |
| 268 | F | A | -0.1634 | |
| 269 | A | A | -0.4087 | |
| 270 | T | A | 0.0000 | |
| 271 | I | A | -0.7327 | |
| 272 | R | A | -1.9860 | |
| 273 | F | A | -0.7777 | |
| 274 | G | A | 0.0000 | |
| 275 | L | A | -1.0394 | |
| 276 | E | A | -1.9503 | |
| 277 | T | A | -1.6378 | |
| 278 | R | A | -2.2631 | |
| 279 | Y | A | 0.0000 | |
| 280 | P | A | -0.5306 | |
| 281 | A | A | 0.0000 | |
| 282 | L | A | -0.4533 | |
| 283 | A | A | -0.4376 | |
| 284 | L | A | -0.5424 | |
| 285 | N | A | -1.8277 | |
| 286 | E | A | -1.9959 | |
| 287 | F | A | 0.0000 | |
| 288 | Q | A | -1.5237 | |
| 289 | S | A | -1.3277 | |
| 290 | D | A | 0.0000 | |
| 291 | L | A | -1.1813 | |
| 292 | N | A | -1.8829 | |
| 293 | T | A | -1.2919 | |
| 294 | I | A | 0.0000 | |
| 295 | K | A | -1.3944 | |
| 296 | S | A | -0.6939 | |
| 297 | L | A | 0.0000 | |
| 298 | M | A | -0.3298 | |
| 299 | L | A | 0.2562 | |
| 300 | L | A | -0.2595 | |
| 301 | Y | A | -0.8461 | |
| 302 | R | A | -2.0668 | |
| 303 | E | A | -2.0815 | |
| 304 | I | A | -0.9658 | |
| 305 | G | A | -1.5527 | |
| 306 | P | A | -1.5786 | |
| 307 | R | A | -1.6082 | |
| 308 | A | A | 0.0000 | |
| 309 | P | A | -1.1228 | |
| 310 | Y | A | 0.0000 | |
| 311 | M | A | 0.0000 | |
| 312 | V | A | -1.1470 | |
| 313 | L | A | 0.0000 | |
| 314 | L | A | -1.2779 | |
| 315 | E | A | -2.2894 | |
| 316 | E | A | -2.1903 | |
| 317 | S | A | -1.4481 | |
| 318 | I | A | -0.9273 | |
| 319 | Q | A | -1.4110 | |
| 320 | T | A | -1.4075 | |
| 321 | K | A | -1.8336 | |
| 322 | F | A | 0.0000 | |
| 323 | A | A | -0.8811 | |
| 324 | P | A | -0.6230 | |
| 325 | G | A | -0.9518 | |
| 326 | G | A | -1.0212 | |
| 327 | Y | A | 0.0000 | |
| 328 | P | A | -0.2684 | |
| 329 | L | A | -0.0153 | |
| 330 | L | A | 0.0000 | |
| 331 | W | A | 0.0000 | |
| 332 | S | A | 0.0000 | |
| 333 | F | A | 0.0000 | |
| 334 | A | A | 0.0000 | |
| 335 | M | A | 0.0000 | |
| 336 | G | A | 0.0000 | |
| 337 | V | A | 0.0000 | |
| 338 | A | A | 0.0000 | |
| 339 | T | A | -0.1114 | |
| 340 | T | A | -0.1887 | |
| 341 | I | A | 0.9169 | |
| 342 | D | A | -0.5551 | |
| 343 | R | A | -1.6632 | |
| 344 | S | A | -1.3829 | |
| 345 | M | A | -0.3034 | |
| 346 | G | A | -0.7213 | |
| 347 | A | A | -1.1546 | |
| 348 | L | A | -0.9186 | |
| 349 | N | A | -2.1766 | |
| 350 | I | A | 0.0000 | |
| 351 | N | A | -2.0884 | |
| 352 | R | A | -2.1312 | |
| 353 | G | A | -1.1656 | |
| 354 | Y | A | -0.5215 | |
| 355 | L | A | -0.5109 | |
| 356 | E | A | -0.5184 | |
| 357 | P | A | -0.3150 | |
| 358 | M | A | 0.2517 | |
| 359 | Y | A | -0.1439 | |
| 360 | F | A | -0.5643 | |
| 361 | R | A | -1.6802 | |
| 362 | L | A | -0.9943 | |
| 363 | G | A | 0.0000 | |
| 364 | Q | A | -1.7316 | |
| 365 | K | A | -2.7428 | |
| 366 | S | A | -1.8059 | |
| 367 | A | A | 0.0000 | |
| 368 | R | A | -1.9408 | |
| 369 | H | A | -2.3545 | |
| 370 | H | A | -1.5564 | |
| 371 | A | A | -0.8282 | |
| 372 | G | A | -1.2147 | |
| 373 | G | A | -1.4238 | |
| 374 | I | A | -1.1580 | |
| 375 | D | A | -2.9310 | |
| 376 | Q | A | -2.9215 | |
| 377 | N | A | -2.9479 | |
| 378 | M | A | -1.8067 | |
| 379 | A | A | 0.0000 | |
| 380 | N | A | -2.6488 | |
| 381 | R | A | -2.3478 | |
| 382 | L | A | -0.0756 | |
| 383 | G | A | -0.8403 | |
| 384 | L | A | -0.7188 | |
| 385 | S | A | -1.2174 | |
| 386 | S | A | -1.7698 | |
| 387 | D | A | -2.6321 | |
| 388 | Q | A | -2.2036 | |
| 389 | V | A | -1.6689 | |
| 390 | A | A | -1.3933 | |
| 391 | E | A | -2.3144 | |
| 392 | L | A | -0.9030 | |
| 393 | A | A | -0.9462 | |
| 394 | A | A | -1.1801 | |
| 395 | A | A | -0.9703 | |
| 396 | V | A | -0.7477 | |
| 397 | Q | A | -2.2516 | |
| 398 | E | A | -2.4841 | |
| 399 | T | A | -1.7485 | |
| 400 | S | A | 0.0000 | |
| 401 | A | A | -2.2907 | |
| 402 | G | A | -2.5307 | |
| 403 | R | A | -3.2274 | |
| 404 | Q | A | -2.7919 | |
| 405 | E | A | -3.0762 | |
| 406 | S | A | -2.3866 | |
| 407 | N | A | -2.4639 | |
| 408 | V | A | -1.5042 | |
| 409 | Q | A | -2.2155 | |
| 410 | A | A | -1.7816 | |
| 411 | R | A | -1.9951 | |
| 412 | E | A | -1.5423 | |
| 413 | A | A | -1.1488 | |
| 414 | K | A | -1.7962 | |
| 415 | F | A | 0.1197 | |
| 416 | A | A | -0.0400 | |
| 417 | A | A | -0.1797 | |
| 418 | G | A | 0.1561 | |
| 419 | G | A | 0.5384 | |
| 420 | V | A | 2.6203 | |
| 421 | L | A | 2.9878 | |
| 422 | I | A | 2.8431 | |
| 423 | G | A | 0.6133 | |
| 424 | G | A | -0.6307 | |
| 425 | S | A | -1.8052 | |
| 426 | D | A | -3.2043 | |
| 427 | Q | A | -3.2095 | |
| 428 | D | A | -3.5608 | |
| 429 | I | A | -2.1291 | |
| 430 | D | A | -3.6762 | |
| 431 | E | A | -3.5745 | |
| 432 | G | A | -3.0984 | |
| 433 | E | A | -3.5496 | |
| 434 | E | A | -3.0415 | |
| 435 | P | A | -1.2674 | |
| 436 | I | A | 0.0433 | |
| 437 | E | A | -1.7333 | |
| 438 | Q | A | -2.0755 | |
| 439 | S | A | -1.6106 | |
| 440 | G | A | -2.0651 | |
| 441 | R | A | -2.6743 | |
| 442 | Q | A | -1.8805 | |
| 443 | S | A | -0.1773 | |
| 444 | V | A | 1.4272 | |
| 445 | T | A | 0.8740 | |
| 446 | F | A | 0.8319 | |
| 447 | K | A | -1.8241 | |
| 448 | R | A | -2.8290 | |
| 449 | E | A | -2.4882 | |
| 450 | M | A | -0.1430 | |
| 451 | S | A | 0.6170 | |
| 452 | I | A | 2.1966 | |
| 453 | S | A | 1.1621 | |
| 454 | S | A | 0.9096 | |
| 455 | L | A | 1.4050 | |
| 456 | A | A | 0.1637 | |
| 457 | N | A | -0.6599 | |
| 458 | S | A | -0.0211 | |
| 459 | V | A | 1.2324 | |
| 460 | P | A | 0.5125 | |
| 461 | S | A | 0.0460 | |
| 462 | S | A | -0.0760 | |
| 463 | S | A | 0.4312 | |
| 464 | V | A | 1.4534 | |
| 465 | S | A | 0.4518 | |
| 466 | T | A | 0.0239 | |
| 467 | S | A | -0.4542 | |
| 468 | G | A | -1.0706 | |
| 469 | G | A | -1.0785 | |
| 470 | T | A | -1.1021 | |
| 471 | R | A | -1.6795 | |
| 472 | L | A | 0.4232 | |
| 473 | T | A | -0.1796 | |
| 474 | N | A | -0.8409 | |
| 475 | S | A | -0.2670 | |
| 476 | L | A | 0.7263 | |
| 477 | L | A | 0.3928 | |
| 478 | N | A | -1.0518 | |
| 479 | L | A | -0.1406 | |
| 480 | R | A | -1.3400 | |
| 481 | S | A | -1.3057 | |
| 482 | R | A | -1.8876 | |
| 483 | L | A | -0.6313 | |
| 484 | A | A | -1.0573 | |
| 485 | A | A | -1.7485 | |
| 486 | K | A | -2.5822 | |
| 487 | A | A | -1.6050 | |
| 488 | A | A | -1.5179 | |
| 489 | K | A | -2.9007 | |
| 490 | E | A | -3.0194 | |
| 491 | A | A | -1.8105 | |
| 492 | A | A | -1.4635 | |
| 493 | S | A | -1.5445 | |
| 494 | S | A | -1.4097 | |
| 495 | N | A | -1.6018 | |
| 496 | A | A | -1.0811 | |
| 497 | T | A | -1.7652 | |
| 498 | D | A | -2.8820 | |
| 499 | D | A | -2.7890 | |
| 500 | P | A | -1.0964 | |
| 501 | A | A | 0.5359 | |
| 502 | I | A | 1.6035 | |
| 503 | S | A | -0.1495 | |
| 504 | N | A | -1.9434 | |
| 505 | R | A | -2.8581 | |
| 506 | T | A | -1.9855 | |
| 507 | Q | A | -2.2650 | |
| 508 | G | A | -2.0803 | |
| 509 | E | A | -2.7976 | |
| 510 | S | A | -2.4763 | |
| 511 | E | A | -3.7226 | |
| 512 | K | A | -3.8365 | |
| 513 | K | A | -4.0290 | |
| 514 | N | A | -3.6435 | |
| 515 | N | A | -3.1430 | |
| 516 | Q | A | -3.1213 | |
| 517 | D | A | -2.3862 | |
| 518 | L | A | -0.6301 | |
| 519 | K | A | -1.8222 | |
| 520 | P | A | -1.3502 | |
| 521 | A | A | -1.4046 | |
| 522 | Q | A | -2.4001 | |
| 523 | N | A | -2.5655 | |
| 524 | D | A | -2.2925 | |
| 525 | L | A | 0.0055 | |
| 526 | D | A | -0.6029 | |
| 527 | F | A | 1.7845 | |
| 528 | V | A | 1.5704 | |
| 529 | R | A | -0.9093 | |
| 530 | A | A | -0.5502 | |
| 531 | D | A | -1.1758 | |
| 532 | V | A | 0.7106 |
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 | -0.8667 | 5.1277 | View | CSV | PDB |
| 4.5 | -0.9501 | 4.8108 | View | CSV | PDB |
| 5.0 | -1.0549 | 4.3818 | View | CSV | PDB |
| 5.5 | -1.1631 | 4.067 | View | CSV | PDB |
| 6.0 | -1.2557 | 4.067 | View | CSV | PDB |
| 6.5 | -1.318 | 4.067 | View | CSV | PDB |
| 7.0 | -1.3465 | 4.067 | View | CSV | PDB |
| 7.5 | -1.3498 | 4.067 | View | CSV | PDB |
| 8.0 | -1.3383 | 4.067 | View | CSV | PDB |
| 8.5 | -1.3162 | 4.067 | View | CSV | PDB |
| 9.0 | -1.2831 | 4.067 | 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