| Chain sequence(s) |
A: MCPRVVLLLFFVFLPMLPAPPAGQPSGRRRGRRSGGAGGGFWGDRVDSQPFALPYIHPTNPFAADIVSQSGAGTRPRQPPRPLGSAWRDQSQRPSAAPRRRSAPAGAAPLTAVSPAPDTAPVPDVDSRGAILRRQYNLSTSPLTSSVASGTNLVLYAAPLNPLLPLQDGTNTHIMATEASNYAQYRVVRATIRYRPLVPNAVGGYAISISFWPQTTTTPTSVDMNSITSTDVRILVQPGIASELVIPSERLHYRNQGWRSVETTGVAEEEATSGLVMLCIHGSPVNSYTNTPYTGALGLLDFALELEFRNLTPGNTNTRVSRYTSTARHRLRRGADGTAELTTTAATRFMKDLHFTGTNGVGEVGRGIALTLFNLADTLLGGLPTELISSAGGQLFYSRPVVSANGEPTVKLYTSVENAQQDKGITIPHDIDLGDSRVVIQDYDNQHEQDRPTPSPAPSRPFSVLRANDVLWLSLTAAEYDQATYGSSTNPMYVSDTVTFVNVATGAQAVARSLDWSKVTLDGRPLTTIQQYSKTFYVLPLRGKLSFWEAGTTRAGYPYNYNTTASDQILIENAAGHRVAISTYTTSLGAGPASISAVGVLAPHSALAVLEDTVDYPARAHTFDDFCPECRTLGLQGCAFQSTIAELQRLKTEVGKTRES
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] (00:00:02)
[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 globular. Max score is recommended for pH analysis. (00:00:07)
[INFO] FoldX: Starting FoldX energy minimization (00:00:07)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:07:01)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/ddb07ee57be29c9/tmp/folded.pdb (00:07:01)
[INFO] Main: Simulation completed successfully. (00:13:13)
|
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 | 1.3484 | |
| 2 | C | A | 0.6395 | |
| 3 | P | A | -0.1857 | |
| 4 | R | A | -0.5341 | |
| 5 | V | A | 2.0598 | |
| 6 | V | A | 3.3864 | |
| 7 | L | A | 3.9193 | |
| 8 | L | A | 4.1087 | |
| 9 | L | A | 4.2990 | |
| 10 | F | A | 4.5860 | |
| 11 | F | A | 4.8362 | |
| 12 | V | A | 4.6182 | |
| 13 | F | A | 4.2538 | |
| 14 | L | A | 3.3850 | |
| 15 | P | A | 1.9989 | |
| 16 | M | A | 2.2166 | |
| 17 | L | A | 2.0433 | |
| 18 | P | A | 0.6566 | |
| 19 | A | A | 0.2200 | |
| 20 | P | A | -0.4409 | |
| 21 | P | A | -0.4697 | |
| 22 | A | A | -0.5781 | |
| 23 | G | A | -1.1580 | |
| 24 | Q | A | -1.5792 | |
| 25 | P | A | -1.1592 | |
| 26 | S | A | -1.2078 | |
| 27 | G | A | -1.9111 | |
| 28 | R | A | -3.4168 | |
| 29 | R | A | -3.8399 | |
| 30 | R | A | -3.7345 | |
| 31 | G | A | -3.0995 | |
| 32 | R | A | -3.3822 | |
| 33 | R | A | -3.0355 | |
| 34 | S | A | -1.8719 | |
| 35 | G | A | -1.2165 | |
| 36 | G | A | -0.8132 | |
| 37 | A | A | -0.5871 | |
| 38 | G | A | -0.8680 | |
| 39 | G | A | -0.4769 | |
| 40 | G | A | 0.4235 | |
| 41 | F | A | 2.0825 | |
| 42 | W | A | 1.2103 | |
| 43 | G | A | -0.9091 | |
| 44 | D | A | -2.3067 | |
| 45 | R | A | -2.2523 | |
| 46 | V | A | -0.4294 | |
| 47 | D | A | -1.8136 | |
| 48 | S | A | -1.3815 | |
| 49 | Q | A | -1.4076 | |
| 50 | P | A | 0.0666 | |
| 51 | F | A | 1.8954 | |
| 52 | A | A | 1.6333 | |
| 53 | L | A | 2.3808 | |
| 54 | P | A | 1.5908 | |
| 55 | Y | A | 1.9879 | |
| 56 | I | A | 1.5764 | |
| 57 | H | A | -0.2848 | |
| 58 | P | A | -0.4912 | |
| 59 | T | A | -0.4213 | |
| 60 | N | A | -0.2763 | |
| 61 | P | A | 0.0882 | |
| 62 | F | A | 1.4878 | |
| 63 | A | A | 1.1217 | |
| 64 | A | A | 0.7041 | |
| 65 | D | A | 0.0261 | |
| 66 | I | A | 2.0488 | |
| 67 | V | A | 1.7614 | |
| 68 | S | A | 0.0555 | |
| 69 | Q | A | -0.8486 | |
| 70 | S | A | -0.4839 | |
| 71 | G | A | -0.9657 | |
| 72 | A | A | -0.5924 | |
| 73 | G | A | -0.9776 | |
| 74 | T | A | -1.4041 | |
| 75 | R | A | -2.6819 | |
| 76 | P | A | -2.3327 | |
| 77 | R | A | -3.0680 | |
| 78 | Q | A | -2.7705 | |
| 79 | P | A | -1.8477 | |
| 80 | P | A | -1.6293 | |
| 81 | R | A | -1.9788 | |
| 82 | P | A | -0.6205 | |
| 83 | L | A | 0.6912 | |
| 84 | G | A | 0.0288 | |
| 85 | S | A | -0.0450 | |
| 86 | A | A | -0.0069 | |
| 87 | W | A | -0.1016 | |
| 88 | R | A | -2.1155 | |
| 89 | D | A | -2.4184 | |
| 90 | Q | A | -2.7670 | |
| 91 | S | A | -2.3160 | |
| 92 | Q | A | -2.9980 | |
| 93 | R | A | -2.9990 | |
| 94 | P | A | -1.5583 | |
| 95 | S | A | -0.9626 | |
| 96 | A | A | -0.7468 | |
| 97 | A | A | -0.8624 | |
| 98 | P | A | -1.9267 | |
| 99 | R | A | -3.3963 | |
| 100 | R | A | -3.7846 | |
| 101 | R | A | -3.6457 | |
| 102 | S | A | -1.9341 | |
| 103 | A | A | -0.9820 | |
| 104 | P | A | -0.6359 | |
| 105 | A | A | -0.2881 | |
| 106 | G | A | -0.4879 | |
| 107 | A | A | 0.2395 | |
| 108 | A | A | 0.3273 | |
| 109 | P | A | 0.4618 | |
| 110 | L | A | 1.6745 | |
| 111 | T | A | 1.2169 | |
| 112 | A | A | 1.1585 | |
| 113 | V | A | 1.8509 | |
| 114 | S | A | 0.6545 | |
| 115 | P | A | -0.1978 | |
| 116 | A | A | -0.5471 | |
| 117 | P | A | -1.6453 | |
| 118 | D | A | -2.1657 | |
| 119 | T | A | -0.8491 | |
| 120 | A | A | -0.1891 | |
| 121 | P | A | 0.0677 | |
| 122 | V | A | 1.1465 | |
| 123 | P | A | -0.1375 | |
| 124 | D | A | -1.0861 | |
| 125 | V | A | -0.0589 | |
| 126 | D | A | -1.7136 | |
| 127 | S | A | -1.5207 | |
| 128 | R | A | -2.1842 | |
| 129 | G | A | -1.3624 | |
| 130 | A | A | -0.9525 | |
| 131 | I | A | 0.5208 | |
| 132 | L | A | -0.5860 | |
| 133 | R | A | -2.2300 | |
| 134 | R | A | -2.5525 | |
| 135 | Q | A | -2.6466 | |
| 136 | Y | A | 0.0000 | |
| 137 | N | A | -1.2598 | |
| 138 | L | A | -0.4358 | |
| 139 | S | A | -0.6280 | |
| 140 | T | A | 0.0000 | |
| 141 | S | A | -0.9023 | |
| 142 | P | A | -0.5379 | |
| 143 | L | A | 0.0000 | |
| 144 | T | A | -0.1301 | |
| 145 | S | A | 0.0000 | |
| 146 | S | A | -0.4047 | |
| 147 | V | A | 0.0000 | |
| 148 | A | A | -0.1963 | |
| 149 | S | A | -0.6951 | |
| 150 | G | A | 0.0000 | |
| 151 | T | A | -0.5084 | |
| 152 | N | A | -0.6131 | |
| 153 | L | A | 0.0000 | |
| 154 | V | A | 0.0000 | |
| 155 | L | A | 0.0000 | |
| 156 | Y | A | 0.0000 | |
| 157 | A | A | 0.0000 | |
| 158 | A | A | 0.0000 | |
| 159 | P | A | 0.0000 | |
| 160 | L | A | 0.0000 | |
| 161 | N | A | 0.0000 | |
| 162 | P | A | 0.0000 | |
| 163 | L | A | 0.0000 | |
| 164 | L | A | 0.0000 | |
| 165 | P | A | 0.0000 | |
| 166 | L | A | 0.0000 | |
| 167 | Q | A | -1.8982 | |
| 168 | D | A | -1.9497 | |
| 169 | G | A | -1.0683 | |
| 170 | T | A | -1.0170 | |
| 171 | N | A | -1.3710 | |
| 172 | T | A | -0.4180 | |
| 173 | H | A | 0.4244 | |
| 174 | I | A | 1.7288 | |
| 175 | M | A | 0.0000 | |
| 176 | A | A | 0.0000 | |
| 177 | T | A | 0.2846 | |
| 178 | E | A | 0.0307 | |
| 179 | A | A | 0.0000 | |
| 180 | S | A | 0.0000 | |
| 181 | N | A | -0.6600 | |
| 182 | Y | A | -0.1620 | |
| 183 | A | A | -0.5392 | |
| 184 | Q | A | -0.9080 | |
| 185 | Y | A | 0.0000 | |
| 186 | R | A | -1.1417 | |
| 187 | V | A | 0.0000 | |
| 188 | V | A | -1.4786 | |
| 189 | R | A | -1.7894 | |
| 190 | A | A | 0.0000 | |
| 191 | T | A | -0.4723 | |
| 192 | I | A | 0.0000 | |
| 193 | R | A | -1.6448 | |
| 194 | Y | A | 0.0000 | |
| 195 | R | A | -1.1072 | |
| 196 | P | A | -0.2988 | |
| 197 | L | A | 0.5574 | |
| 198 | V | A | 0.0351 | |
| 199 | P | A | -0.6715 | |
| 200 | N | A | -1.3102 | |
| 201 | A | A | -0.5287 | |
| 202 | V | A | 0.0000 | |
| 203 | G | A | -0.8195 | |
| 204 | G | A | -0.6859 | |
| 205 | Y | A | 0.0000 | |
| 206 | A | A | -0.4008 | |
| 207 | I | A | 0.0000 | |
| 208 | S | A | 0.0000 | |
| 209 | I | A | 0.0000 | |
| 210 | S | A | 0.0000 | |
| 211 | F | A | 0.0000 | |
| 212 | W | A | -0.6789 | |
| 213 | P | A | -0.9696 | |
| 214 | Q | A | -1.5588 | |
| 215 | T | A | 0.0000 | |
| 216 | T | A | -0.8453 | |
| 217 | T | A | -0.4507 | |
| 218 | T | A | -0.3108 | |
| 219 | P | A | 0.0000 | |
| 220 | T | A | -0.1763 | |
| 221 | S | A | -0.4361 | |
| 222 | V | A | 0.0000 | |
| 223 | D | A | -1.0686 | |
| 224 | M | A | -0.6882 | |
| 225 | N | A | -1.4294 | |
| 226 | S | A | -0.9128 | |
| 227 | I | A | 0.0000 | |
| 228 | T | A | -0.8687 | |
| 229 | S | A | -1.0499 | |
| 230 | T | A | -1.2858 | |
| 231 | D | A | -1.9797 | |
| 232 | V | A | 0.0000 | |
| 233 | R | A | -0.9287 | |
| 234 | I | A | -0.1696 | |
| 235 | L | A | 0.1966 | |
| 236 | V | A | 0.0000 | |
| 237 | Q | A | -0.9738 | |
| 238 | P | A | -0.7732 | |
| 239 | G | A | -0.5874 | |
| 240 | I | A | 0.3941 | |
| 241 | A | A | -0.4981 | |
| 242 | S | A | -1.1595 | |
| 243 | E | A | -1.8763 | |
| 244 | L | A | 0.0000 | |
| 245 | V | A | 0.8167 | |
| 246 | I | A | 0.0000 | |
| 247 | P | A | -0.8404 | |
| 248 | S | A | -1.4443 | |
| 249 | E | A | -2.3079 | |
| 250 | R | A | -1.7680 | |
| 251 | L | A | 0.0000 | |
| 252 | H | A | -2.0249 | |
| 253 | Y | A | -1.1261 | |
| 254 | R | A | -3.0223 | |
| 255 | N | A | -2.7195 | |
| 256 | Q | A | -2.3607 | |
| 257 | G | A | 0.0000 | |
| 258 | W | A | 0.0000 | |
| 259 | R | A | 0.0000 | |
| 260 | S | A | -0.8915 | |
| 261 | V | A | 0.0000 | |
| 262 | E | A | -0.6105 | |
| 263 | T | A | 0.0000 | |
| 264 | T | A | -0.5059 | |
| 265 | G | A | -0.5142 | |
| 266 | V | A | -0.7495 | |
| 267 | A | A | -1.1324 | |
| 268 | E | A | 0.0000 | |
| 269 | E | A | -2.6955 | |
| 270 | E | A | -2.8454 | |
| 271 | A | A | 0.0000 | |
| 272 | T | A | 0.0000 | |
| 273 | S | A | 0.0000 | |
| 274 | G | A | 0.0000 | |
| 275 | L | A | 0.0000 | |
| 276 | V | A | 0.0000 | |
| 277 | M | A | 0.0000 | |
| 278 | L | A | 0.0000 | |
| 279 | C | A | 0.0000 | |
| 280 | I | A | 0.0000 | |
| 281 | H | A | 0.0000 | |
| 282 | G | A | -0.2981 | |
| 283 | S | A | -0.2482 | |
| 284 | P | A | 0.0000 | |
| 285 | V | A | -0.0913 | |
| 286 | N | A | -0.4571 | |
| 287 | S | A | -0.2956 | |
| 288 | Y | A | 0.7826 | |
| 289 | T | A | -0.1510 | |
| 290 | N | A | -1.0136 | |
| 291 | T | A | -0.5248 | |
| 292 | P | A | -0.4865 | |
| 293 | Y | A | -0.1436 | |
| 294 | T | A | -0.1141 | |
| 295 | G | A | -0.1045 | |
| 296 | A | A | 0.1457 | |
| 297 | L | A | 0.0000 | |
| 298 | G | A | 0.0000 | |
| 299 | L | A | -0.2599 | |
| 300 | L | A | 0.0000 | |
| 301 | D | A | 0.0000 | |
| 302 | F | A | 0.0000 | |
| 303 | A | A | -0.9760 | |
| 304 | L | A | 0.0000 | |
| 305 | E | A | -2.1383 | |
| 306 | L | A | 0.0000 | |
| 307 | E | A | 0.0000 | |
| 308 | F | A | 0.0000 | |
| 309 | R | A | -0.7760 | |
| 310 | N | A | -0.5951 | |
| 311 | L | A | 0.7827 | |
| 312 | T | A | -0.0919 | |
| 313 | P | A | -0.4760 | |
| 314 | G | A | -0.7345 | |
| 315 | N | A | -0.5542 | |
| 316 | T | A | 0.0000 | |
| 317 | N | A | 0.0000 | |
| 318 | T | A | -0.4849 | |
| 319 | R | A | -1.1760 | |
| 320 | V | A | 0.0000 | |
| 321 | S | A | 0.0000 | |
| 322 | R | A | 0.0000 | |
| 323 | Y | A | -0.1790 | |
| 324 | T | A | -0.1030 | |
| 325 | S | A | -0.2064 | |
| 326 | T | A | -0.8485 | |
| 327 | A | A | -1.6298 | |
| 328 | R | A | -2.9516 | |
| 329 | H | A | 0.0000 | |
| 330 | R | A | -2.9951 | |
| 331 | L | A | 0.0000 | |
| 332 | R | A | -3.0848 | |
| 333 | R | A | -3.4944 | |
| 334 | G | A | -2.1006 | |
| 335 | A | A | -1.1952 | |
| 336 | D | A | -2.1345 | |
| 337 | G | A | 0.0000 | |
| 338 | T | A | -1.8756 | |
| 339 | A | A | 0.0000 | |
| 340 | E | A | -1.4294 | |
| 341 | L | A | 0.0000 | |
| 342 | T | A | -0.9278 | |
| 343 | T | A | 0.0000 | |
| 344 | T | A | -0.3403 | |
| 345 | A | A | 0.0000 | |
| 346 | A | A | 0.0000 | |
| 347 | T | A | -0.6663 | |
| 348 | R | A | -0.7072 | |
| 349 | F | A | -0.6921 | |
| 350 | M | A | -1.0180 | |
| 351 | K | A | -2.1909 | |
| 352 | D | A | 0.0000 | |
| 353 | L | A | -1.0552 | |
| 354 | H | A | -0.8063 | |
| 355 | F | A | -0.6566 | |
| 356 | T | A | -0.3333 | |
| 357 | G | A | -0.5843 | |
| 358 | T | A | -0.2739 | |
| 359 | N | A | -0.2702 | |
| 360 | G | A | 0.1204 | |
| 361 | V | A | 1.0932 | |
| 362 | G | A | -0.0481 | |
| 363 | E | A | -0.1759 | |
| 364 | V | A | -0.5313 | |
| 365 | G | A | 0.0000 | |
| 366 | R | A | -1.7835 | |
| 367 | G | A | 0.0000 | |
| 368 | I | A | 0.0000 | |
| 369 | A | A | 0.0000 | |
| 370 | L | A | 0.0000 | |
| 371 | T | A | 0.0000 | |
| 372 | L | A | 0.0000 | |
| 373 | F | A | 0.0000 | |
| 374 | N | A | 0.0000 | |
| 375 | L | A | 0.0000 | |
| 376 | A | A | -0.6001 | |
| 377 | D | A | -0.7398 | |
| 378 | T | A | -0.3295 | |
| 379 | L | A | -0.0322 | |
| 380 | L | A | 0.1445 | |
| 381 | G | A | -0.3765 | |
| 382 | G | A | -0.4562 | |
| 383 | L | A | -0.1487 | |
| 384 | P | A | -0.4146 | |
| 385 | T | A | -0.6016 | |
| 386 | E | A | -1.1684 | |
| 387 | L | A | 0.0000 | |
| 388 | I | A | 0.1255 | |
| 389 | S | A | -0.3318 | |
| 390 | S | A | 0.0000 | |
| 391 | A | A | 0.0000 | |
| 392 | G | A | -0.1040 | |
| 393 | G | A | 0.0000 | |
| 394 | Q | A | 0.0000 | |
| 395 | L | A | 0.0000 | |
| 396 | F | A | 0.0000 | |
| 397 | Y | A | 0.0000 | |
| 398 | S | A | 0.0000 | |
| 399 | R | A | -0.7608 | |
| 400 | P | A | 0.0000 | |
| 401 | V | A | 0.0000 | |
| 402 | V | A | 0.0666 | |
| 403 | S | A | -0.5704 | |
| 404 | A | A | -0.5098 | |
| 405 | N | A | -1.7499 | |
| 406 | G | A | -1.5564 | |
| 407 | E | A | -2.2675 | |
| 408 | P | A | -1.2706 | |
| 409 | T | A | 0.0000 | |
| 410 | V | A | 0.0000 | |
| 411 | K | A | 0.0000 | |
| 412 | L | A | 0.0000 | |
| 413 | Y | A | 0.0000 | |
| 414 | T | A | -0.7076 | |
| 415 | S | A | -0.7468 | |
| 416 | V | A | 0.0000 | |
| 417 | E | A | -1.6393 | |
| 418 | N | A | -2.2453 | |
| 419 | A | A | 0.0000 | |
| 420 | Q | A | -2.4304 | |
| 421 | Q | A | -2.8964 | |
| 422 | D | A | -3.2784 | |
| 423 | K | A | -3.0771 | |
| 424 | G | A | -1.9011 | |
| 425 | I | A | 0.0000 | |
| 426 | T | A | -1.2538 | |
| 427 | I | A | 0.0000 | |
| 428 | P | A | -1.5200 | |
| 429 | H | A | -2.6915 | |
| 430 | D | A | -3.6377 | |
| 431 | I | A | 0.0000 | |
| 432 | D | A | -2.2450 | |
| 433 | L | A | 0.0000 | |
| 434 | G | A | 0.0000 | |
| 435 | D | A | -2.8416 | |
| 436 | S | A | 0.0000 | |
| 437 | R | A | 0.0000 | |
| 438 | V | A | 0.0000 | |
| 439 | V | A | 0.0000 | |
| 440 | I | A | 0.0000 | |
| 441 | Q | A | 0.0000 | |
| 442 | D | A | -0.2078 | |
| 443 | Y | A | 0.0000 | |
| 444 | D | A | 0.0000 | |
| 445 | N | A | 0.0000 | |
| 446 | Q | A | 0.0000 | |
| 447 | H | A | -2.0843 | |
| 448 | E | A | -2.7490 | |
| 449 | Q | A | -2.5222 | |
| 450 | D | A | 0.0000 | |
| 451 | R | A | -1.4983 | |
| 452 | P | A | -1.2029 | |
| 453 | T | A | -0.6498 | |
| 454 | P | A | -0.7772 | |
| 455 | S | A | -0.6647 | |
| 456 | P | A | -0.5460 | |
| 457 | A | A | -0.4804 | |
| 458 | P | A | -0.5916 | |
| 459 | S | A | -0.6876 | |
| 460 | R | A | -0.4987 | |
| 461 | P | A | -0.5191 | |
| 462 | F | A | 0.0000 | |
| 463 | S | A | -0.7232 | |
| 464 | V | A | -0.5729 | |
| 465 | L | A | 0.0000 | |
| 466 | R | A | -2.5606 | |
| 467 | A | A | -1.8179 | |
| 468 | N | A | -1.6748 | |
| 469 | D | A | 0.0000 | |
| 470 | V | A | 0.8064 | |
| 471 | L | A | 0.0000 | |
| 472 | W | A | 1.0984 | |
| 473 | L | A | 0.0000 | |
| 474 | S | A | 0.1716 | |
| 475 | L | A | 0.0000 | |
| 476 | T | A | -0.6178 | |
| 477 | A | A | -0.8698 | |
| 478 | A | A | 0.0000 | |
| 479 | E | A | -2.1441 | |
| 480 | Y | A | -1.1121 | |
| 481 | D | A | -1.1034 | |
| 482 | Q | A | -1.0049 | |
| 483 | A | A | -0.4042 | |
| 484 | T | A | -0.2814 | |
| 485 | Y | A | 0.0000 | |
| 486 | G | A | 0.0000 | |
| 487 | S | A | -0.5736 | |
| 488 | S | A | -0.4800 | |
| 489 | T | A | -0.2606 | |
| 490 | N | A | -0.3166 | |
| 491 | P | A | 0.0000 | |
| 492 | M | A | 0.0000 | |
| 493 | Y | A | 0.0000 | |
| 494 | V | A | 0.0000 | |
| 495 | S | A | 0.0000 | |
| 496 | D | A | -1.8555 | |
| 497 | T | A | -0.8866 | |
| 498 | V | A | 0.0000 | |
| 499 | T | A | -0.0718 | |
| 500 | F | A | 0.0000 | |
| 501 | V | A | 0.6331 | |
| 502 | N | A | 0.0000 | |
| 503 | V | A | 1.9119 | |
| 504 | A | A | 0.9418 | |
| 505 | T | A | 0.1504 | |
| 506 | G | A | -0.0430 | |
| 507 | A | A | -0.4148 | |
| 508 | Q | A | -0.6897 | |
| 509 | A | A | -0.3328 | |
| 510 | V | A | 0.1137 | |
| 511 | A | A | 0.0000 | |
| 512 | R | A | -1.6921 | |
| 513 | S | A | -0.7449 | |
| 514 | L | A | -0.9864 | |
| 515 | D | A | -1.9002 | |
| 516 | W | A | 0.0000 | |
| 517 | S | A | -1.5716 | |
| 518 | K | A | -2.2725 | |
| 519 | V | A | 0.0000 | |
| 520 | T | A | -1.6653 | |
| 521 | L | A | 0.0000 | |
| 522 | D | A | -2.3953 | |
| 523 | G | A | -1.9984 | |
| 524 | R | A | -2.6787 | |
| 525 | P | A | -1.6903 | |
| 526 | L | A | 0.0000 | |
| 527 | T | A | -0.4969 | |
| 528 | T | A | -0.5901 | |
| 529 | I | A | -0.6201 | |
| 530 | Q | A | -1.2651 | |
| 531 | Q | A | -0.7336 | |
| 532 | Y | A | -0.0977 | |
| 533 | S | A | -0.5452 | |
| 534 | K | A | -0.9512 | |
| 535 | T | A | -0.9563 | |
| 536 | F | A | 0.0000 | |
| 537 | Y | A | 0.0000 | |
| 538 | V | A | 0.0000 | |
| 539 | L | A | 0.0000 | |
| 540 | P | A | 0.0000 | |
| 541 | L | A | 0.0000 | |
| 542 | R | A | -1.5818 | |
| 543 | G | A | -0.9916 | |
| 544 | K | A | -0.6071 | |
| 545 | L | A | 0.0000 | |
| 546 | S | A | 0.0072 | |
| 547 | F | A | 0.0000 | |
| 548 | W | A | -0.6341 | |
| 549 | E | A | -1.1473 | |
| 550 | A | A | -0.7300 | |
| 551 | G | A | -0.8382 | |
| 552 | T | A | -0.9678 | |
| 553 | T | A | -1.1126 | |
| 554 | R | A | -2.0192 | |
| 555 | A | A | -0.8625 | |
| 556 | G | A | -0.1032 | |
| 557 | Y | A | 0.8177 | |
| 558 | P | A | 0.0000 | |
| 559 | Y | A | 0.8991 | |
| 560 | N | A | 0.0744 | |
| 561 | Y | A | 0.7532 | |
| 562 | N | A | -0.7222 | |
| 563 | T | A | -0.4810 | |
| 564 | T | A | -0.3421 | |
| 565 | A | A | -0.4763 | |
| 566 | S | A | -0.7469 | |
| 567 | D | A | 0.0000 | |
| 568 | Q | A | -0.6341 | |
| 569 | I | A | 0.0000 | |
| 570 | L | A | 0.0000 | |
| 571 | I | A | 0.0000 | |
| 572 | E | A | 0.0000 | |
| 573 | N | A | -1.3709 | |
| 574 | A | A | -0.8478 | |
| 575 | A | A | -0.7196 | |
| 576 | G | A | -1.3202 | |
| 577 | H | A | -1.5961 | |
| 578 | R | A | -1.7198 | |
| 579 | V | A | 0.0000 | |
| 580 | A | A | 0.0000 | |
| 581 | I | A | 0.0000 | |
| 582 | S | A | 0.2902 | |
| 583 | T | A | 0.0000 | |
| 584 | Y | A | 1.5835 | |
| 585 | T | A | 0.6660 | |
| 586 | T | A | -0.1204 | |
| 587 | S | A | -0.1484 | |
| 588 | L | A | 0.0000 | |
| 589 | G | A | -0.6826 | |
| 590 | A | A | -0.7431 | |
| 591 | G | A | -1.2432 | |
| 592 | P | A | -1.0301 | |
| 593 | A | A | 0.0000 | |
| 594 | S | A | -0.6758 | |
| 595 | I | A | 0.0000 | |
| 596 | S | A | 0.0000 | |
| 597 | A | A | 0.0000 | |
| 598 | V | A | 0.9319 | |
| 599 | G | A | 0.0000 | |
| 600 | V | A | -0.2769 | |
| 601 | L | A | 0.0000 | |
| 602 | A | A | 0.0000 | |
| 603 | P | A | -1.1550 | |
| 604 | H | A | -1.1922 | |
| 605 | S | A | -0.2083 | |
| 606 | A | A | 0.0786 | |
| 607 | L | A | 0.0000 | |
| 608 | A | A | -0.1340 | |
| 609 | V | A | 0.8947 | |
| 610 | L | A | -0.1378 | |
| 611 | E | A | -1.7345 | |
| 612 | D | A | -1.7903 | |
| 613 | T | A | -0.4721 | |
| 614 | V | A | 0.4439 | |
| 615 | D | A | -1.4532 | |
| 616 | Y | A | 0.1158 | |
| 617 | P | A | -0.5667 | |
| 618 | A | A | -0.6242 | |
| 619 | R | A | -1.8554 | |
| 620 | A | A | -1.2281 | |
| 621 | H | A | -0.4004 | |
| 622 | T | A | -0.2525 | |
| 623 | F | A | 0.3445 | |
| 624 | D | A | -0.5167 | |
| 625 | D | A | -1.5148 | |
| 626 | F | A | 0.3496 | |
| 627 | C | A | 0.0000 | |
| 628 | P | A | -0.7483 | |
| 629 | E | A | -1.0865 | |
| 630 | C | A | 0.0000 | |
| 631 | R | A | -1.7876 | |
| 632 | T | A | -0.6959 | |
| 633 | L | A | 0.5205 | |
| 634 | G | A | -0.4478 | |
| 635 | L | A | -0.3772 | |
| 636 | Q | A | -1.3856 | |
| 637 | G | A | -1.2597 | |
| 638 | C | A | 0.0000 | |
| 639 | A | A | 0.0060 | |
| 640 | F | A | 1.1573 | |
| 641 | Q | A | -0.1206 | |
| 642 | S | A | -0.1167 | |
| 643 | T | A | 0.0587 | |
| 644 | I | A | 0.3037 | |
| 645 | A | A | -0.6901 | |
| 646 | E | A | -1.3549 | |
| 647 | L | A | -0.7798 | |
| 648 | Q | A | -2.1598 | |
| 649 | R | A | -2.2618 | |
| 650 | L | A | -1.1225 | |
| 651 | K | A | -2.4281 | |
| 652 | T | A | -2.2560 | |
| 653 | E | A | -2.6229 | |
| 654 | V | A | -1.4133 | |
| 655 | G | A | -2.4612 | |
| 656 | K | A | -3.4301 | |
| 657 | T | A | -2.4408 | |
| 658 | R | A | -3.3363 | |
| 659 | E | A | -3.2414 | |
| 660 | S | A | -2.0398 |
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 | -0.1441 | 8.6678 | View | CSV | PDB |
| 4.5 | -0.1909 | 8.6678 | View | CSV | PDB |
| 5.0 | -0.2463 | 8.6678 | View | CSV | PDB |
| 5.5 | -0.304 | 8.6678 | View | CSV | PDB |
| 6.0 | -0.3573 | 8.6678 | View | CSV | PDB |
| 6.5 | -0.4009 | 8.6678 | View | CSV | PDB |
| 7.0 | -0.4336 | 8.6678 | View | CSV | PDB |
| 7.5 | -0.4578 | 8.6678 | View | CSV | PDB |
| 8.0 | -0.4756 | 8.6678 | View | CSV | PDB |
| 8.5 | -0.4866 | 8.6678 | View | CSV | PDB |
| 9.0 | -0.4893 | 8.6678 | 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