| Chain sequence(s) |
A: RTSWKRVTSGEDVVLLPAPAGPEERTRAHKLLWAAEPLDACGPLRPSWVALWPPRRVLETVVDAACMRAPEPLAIAYSPPFPAGDEGLYSELAWRDRVAVVNESLVIYGALETDSGLYTLSVVGLSDEARQVASVVLVVEPAPVPTPTPDDYDEEDDAGVSERTPVNVPPPTPPRRPPVAPPTHPRVIPEVSHVRGVTVHMETPEAILFAPGETFGTNVSIHAIAHDDGPYAMDVVWMRFDVPSSCAEMRIYEACLYHPQLPECLSPADAPCAVSSWAYRLAVRSYAGCSRTTPPPRCFAEARMEPVPGLAWLASTVNLEFQHASPQHAGLYLCVVYVDDHIHAWGHMTISTAAQYRNAVVEQHLPQRQPEPVEPTRPHVRAGGGGSGGGGSKDVLLLDVTPLSLGIETKGGVMTKLIERNTTIPTKRSETFTTADDNQPSVQIQVYQGEREIAAHNNLLGSFELTGGGSGGGGSHHHHHHHH
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | No |
| 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] FoldX: Starting FoldX energy minimization (00:00:00)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:04:21)
[INFO] Main: Simulation completed successfully. (00:04:23)
|
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 | R | A | -2.2473 | |
| 2 | T | A | -1.2800 | |
| 3 | S | A | -0.8807 | |
| 4 | W | A | 0.0000 | |
| 5 | K | A | -0.6730 | |
| 6 | R | A | -1.0032 | |
| 7 | V | A | 0.0000 | |
| 8 | T | A | -1.1946 | |
| 9 | S | A | -1.1560 | |
| 10 | G | A | -1.1476 | |
| 11 | E | A | -1.2207 | |
| 12 | D | A | -1.5642 | |
| 13 | V | A | 0.0000 | |
| 14 | V | A | 0.6759 | |
| 15 | L | A | 0.0000 | |
| 16 | L | A | 0.0000 | |
| 17 | P | A | -0.4163 | |
| 18 | A | A | -0.3830 | |
| 19 | P | A | -0.4701 | |
| 20 | A | A | -0.7482 | |
| 21 | G | A | -1.0598 | |
| 22 | P | A | -2.0033 | |
| 23 | E | A | -2.8000 | |
| 24 | E | A | -2.3726 | |
| 25 | R | A | -2.4805 | |
| 26 | T | A | -2.7040 | |
| 27 | R | A | -2.4986 | |
| 28 | A | A | 0.0000 | |
| 29 | H | A | -0.4712 | |
| 30 | K | A | -0.3910 | |
| 31 | L | A | 0.0000 | |
| 32 | L | A | 0.0312 | |
| 33 | W | A | 0.0000 | |
| 34 | A | A | -0.5810 | |
| 35 | A | A | 0.0000 | |
| 36 | E | A | -1.5109 | |
| 37 | P | A | -1.4256 | |
| 38 | L | A | 0.0000 | |
| 39 | D | A | -2.3640 | |
| 40 | A | A | -1.0890 | |
| 41 | C | A | -0.8094 | |
| 42 | G | A | -1.0318 | |
| 43 | P | A | -1.1352 | |
| 44 | L | A | -1.0806 | |
| 45 | R | A | -1.8158 | |
| 46 | P | A | -1.1648 | |
| 47 | S | A | 0.0000 | |
| 48 | W | A | 0.0000 | |
| 49 | V | A | 0.0000 | |
| 50 | A | A | -0.6918 | |
| 51 | L | A | -0.2282 | |
| 52 | W | A | -0.1140 | |
| 53 | P | A | -0.5066 | |
| 54 | P | A | -1.0796 | |
| 55 | R | A | -1.6837 | |
| 56 | R | A | -0.8857 | |
| 57 | V | A | 0.0000 | |
| 58 | L | A | 0.0000 | |
| 59 | E | A | 0.0000 | |
| 60 | T | A | 0.0000 | |
| 61 | V | A | -1.2135 | |
| 62 | V | A | 0.0000 | |
| 63 | D | A | -0.8929 | |
| 64 | A | A | -0.7850 | |
| 65 | A | A | -0.2976 | |
| 66 | C | A | -0.5560 | |
| 67 | M | A | -1.0187 | |
| 68 | R | A | -2.2195 | |
| 69 | A | A | -1.3586 | |
| 70 | P | A | -1.4666 | |
| 71 | E | A | -1.8281 | |
| 72 | P | A | -0.8183 | |
| 73 | L | A | 0.0000 | |
| 74 | A | A | 0.0000 | |
| 75 | I | A | 0.0000 | |
| 76 | A | A | 0.0000 | |
| 77 | Y | A | 0.4332 | |
| 78 | S | A | 0.0000 | |
| 79 | P | A | -0.7889 | |
| 80 | P | A | -0.0482 | |
| 81 | F | A | 0.5470 | |
| 82 | P | A | -0.1806 | |
| 83 | A | A | -1.3390 | |
| 84 | G | A | -1.9130 | |
| 85 | D | A | -2.8347 | |
| 86 | E | A | -3.0450 | |
| 87 | G | A | -1.3849 | |
| 88 | L | A | -0.3780 | |
| 89 | Y | A | 0.6428 | |
| 90 | S | A | 0.2214 | |
| 91 | E | A | -0.5274 | |
| 92 | L | A | 0.5799 | |
| 93 | A | A | 0.0905 | |
| 94 | W | A | 0.3599 | |
| 95 | R | A | -1.5549 | |
| 96 | D | A | -2.2278 | |
| 97 | R | A | -1.4013 | |
| 98 | V | A | 0.0000 | |
| 99 | A | A | -0.1654 | |
| 100 | V | A | 0.0000 | |
| 101 | V | A | -0.0859 | |
| 102 | N | A | -0.9891 | |
| 103 | E | A | -0.9837 | |
| 104 | S | A | 0.0000 | |
| 105 | L | A | 0.0000 | |
| 106 | V | A | 0.0000 | |
| 107 | I | A | 0.0000 | |
| 108 | Y | A | -0.3788 | |
| 109 | G | A | -0.6481 | |
| 110 | A | A | 0.0000 | |
| 111 | L | A | -0.3866 | |
| 112 | E | A | -1.7052 | |
| 113 | T | A | -1.1033 | |
| 114 | D | A | 0.0000 | |
| 115 | S | A | -0.9133 | |
| 116 | G | A | 0.0000 | |
| 117 | L | A | 0.0148 | |
| 118 | Y | A | 0.0000 | |
| 119 | T | A | -0.1871 | |
| 120 | L | A | 0.0000 | |
| 121 | S | A | -1.1171 | |
| 122 | V | A | -1.4934 | |
| 123 | V | A | 0.0000 | |
| 124 | G | A | -1.2154 | |
| 125 | L | A | 0.2573 | |
| 126 | S | A | -0.9682 | |
| 127 | D | A | -2.5572 | |
| 128 | E | A | -3.0411 | |
| 129 | A | A | -2.2607 | |
| 130 | R | A | -2.8549 | |
| 131 | Q | A | -1.9513 | |
| 132 | V | A | -0.8816 | |
| 133 | A | A | -0.7536 | |
| 134 | S | A | 0.0000 | |
| 135 | V | A | -0.0929 | |
| 136 | V | A | 0.0000 | |
| 137 | L | A | 0.0000 | |
| 138 | V | A | -0.3412 | |
| 139 | V | A | 0.0000 | |
| 140 | E | A | -1.4010 | |
| 141 | P | A | -0.7163 | |
| 142 | A | A | -0.2493 | |
| 143 | P | A | 0.2117 | |
| 144 | V | A | 1.2999 | |
| 145 | P | A | 0.3255 | |
| 146 | T | A | -0.0571 | |
| 147 | P | A | -0.8284 | |
| 148 | T | A | -1.5032 | |
| 149 | P | A | -2.4574 | |
| 150 | D | A | -2.8701 | |
| 151 | D | A | -3.2214 | |
| 152 | Y | A | -3.4056 | |
| 153 | D | A | -4.3754 | |
| 154 | E | A | -4.5175 | |
| 155 | E | A | -4.1869 | |
| 156 | D | A | -3.8782 | |
| 157 | D | A | -3.8638 | |
| 158 | A | A | -2.2993 | |
| 159 | G | A | -2.2067 | |
| 160 | V | A | -2.3841 | |
| 161 | S | A | -2.3977 | |
| 162 | E | A | -2.7727 | |
| 163 | R | A | -2.5276 | |
| 164 | T | A | -1.2134 | |
| 165 | P | A | -0.3063 | |
| 166 | V | A | 0.7794 | |
| 167 | N | A | -0.1094 | |
| 168 | V | A | 0.6350 | |
| 169 | P | A | 0.0695 | |
| 170 | P | A | -0.7536 | |
| 171 | P | A | -1.2754 | |
| 172 | T | A | -0.9742 | |
| 173 | P | A | -1.9159 | |
| 174 | P | A | -3.0380 | |
| 175 | R | A | -2.9525 | |
| 176 | R | A | -2.6387 | |
| 177 | P | A | -1.2924 | |
| 178 | P | A | -0.3713 | |
| 179 | V | A | 0.9860 | |
| 180 | A | A | 0.2503 | |
| 181 | P | A | -0.8514 | |
| 182 | P | A | -0.8284 | |
| 183 | T | A | -1.0585 | |
| 184 | H | A | -1.4989 | |
| 185 | P | A | -1.3091 | |
| 186 | R | A | -1.6280 | |
| 187 | V | A | 0.3331 | |
| 188 | I | A | -0.1881 | |
| 189 | P | A | -0.7748 | |
| 190 | E | A | -1.5289 | |
| 191 | V | A | 0.0000 | |
| 192 | S | A | -0.5514 | |
| 193 | H | A | -0.8014 | |
| 194 | V | A | -0.7783 | |
| 195 | R | A | -2.0027 | |
| 196 | G | A | 0.0000 | |
| 197 | V | A | 0.0000 | |
| 198 | T | A | 0.0000 | |
| 199 | V | A | 0.0000 | |
| 200 | H | A | -0.6500 | |
| 201 | M | A | 0.0000 | |
| 202 | E | A | -1.4870 | |
| 203 | T | A | 0.0000 | |
| 204 | P | A | -0.7765 | |
| 205 | E | A | -0.5120 | |
| 206 | A | A | 0.0000 | |
| 207 | I | A | 0.0000 | |
| 208 | L | A | 0.2498 | |
| 209 | F | A | 0.0000 | |
| 210 | A | A | -0.2848 | |
| 211 | P | A | -0.9071 | |
| 212 | G | A | -1.2532 | |
| 213 | E | A | -1.0696 | |
| 214 | T | A | -1.0258 | |
| 215 | F | A | 0.0000 | |
| 216 | G | A | -0.6104 | |
| 217 | T | A | 0.0000 | |
| 218 | N | A | -1.4655 | |
| 219 | V | A | 0.0000 | |
| 220 | S | A | -0.9361 | |
| 221 | I | A | -0.7165 | |
| 222 | H | A | -0.9763 | |
| 223 | A | A | 0.0000 | |
| 224 | I | A | -0.3346 | |
| 225 | A | A | 0.0000 | |
| 226 | H | A | -2.2590 | |
| 227 | D | A | -2.9861 | |
| 228 | D | A | -3.2505 | |
| 229 | G | A | -2.2637 | |
| 230 | P | A | -1.6280 | |
| 231 | Y | A | 0.0000 | |
| 232 | A | A | -0.6535 | |
| 233 | M | A | 0.0000 | |
| 234 | D | A | -1.1079 | |
| 235 | V | A | 0.0000 | |
| 236 | V | A | 0.0000 | |
| 237 | W | A | 0.0000 | |
| 238 | M | A | 0.0000 | |
| 239 | R | A | -0.8690 | |
| 240 | F | A | -0.5961 | |
| 241 | D | A | -1.7680 | |
| 242 | V | A | -0.8864 | |
| 243 | P | A | -0.7351 | |
| 244 | S | A | -0.7504 | |
| 245 | S | A | -0.5855 | |
| 246 | C | A | 0.0000 | |
| 247 | A | A | -1.1199 | |
| 248 | E | A | -0.8240 | |
| 249 | M | A | 0.0000 | |
| 250 | R | A | -0.4152 | |
| 251 | I | A | 0.0000 | |
| 252 | Y | A | 0.0000 | |
| 253 | E | A | 0.0000 | |
| 254 | A | A | -0.5646 | |
| 255 | C | A | 0.0000 | |
| 256 | L | A | 0.0000 | |
| 257 | Y | A | -0.3494 | |
| 258 | H | A | -0.8039 | |
| 259 | P | A | -0.5506 | |
| 260 | Q | A | -0.9910 | |
| 261 | L | A | -0.2277 | |
| 262 | P | A | -0.2529 | |
| 263 | E | A | -0.9552 | |
| 264 | C | A | 0.0000 | |
| 265 | L | A | 0.8408 | |
| 266 | S | A | 0.1384 | |
| 267 | P | A | -0.6090 | |
| 268 | A | A | -1.3143 | |
| 269 | D | A | 0.0000 | |
| 270 | A | A | -0.3199 | |
| 271 | P | A | -0.4392 | |
| 272 | C | A | -0.4173 | |
| 273 | A | A | -0.1788 | |
| 274 | V | A | 0.0000 | |
| 275 | S | A | 0.0000 | |
| 276 | S | A | 0.1787 | |
| 277 | W | A | 0.1165 | |
| 278 | A | A | 0.0988 | |
| 279 | Y | A | -0.2930 | |
| 280 | R | A | -1.8947 | |
| 281 | L | A | 0.0000 | |
| 282 | A | A | 0.0000 | |
| 283 | V | A | 0.0000 | |
| 284 | R | A | 0.0000 | |
| 285 | S | A | -0.7890 | |
| 286 | Y | A | 0.0000 | |
| 287 | A | A | -0.2239 | |
| 288 | G | A | -0.2745 | |
| 289 | C | A | 0.0000 | |
| 290 | S | A | -1.9364 | |
| 291 | R | A | -2.5167 | |
| 292 | T | A | -1.3952 | |
| 293 | T | A | -0.9735 | |
| 294 | P | A | -1.0368 | |
| 295 | P | A | -0.8794 | |
| 296 | P | A | -0.9284 | |
| 297 | R | A | -1.6089 | |
| 298 | C | A | 0.0000 | |
| 299 | F | A | 0.9721 | |
| 300 | A | A | -0.4069 | |
| 301 | E | A | -1.8589 | |
| 302 | A | A | -1.7483 | |
| 303 | R | A | -2.6026 | |
| 304 | M | A | -1.5679 | |
| 305 | E | A | -1.8760 | |
| 306 | P | A | -0.9006 | |
| 307 | V | A | -0.2421 | |
| 308 | P | A | -0.6684 | |
| 309 | G | A | -0.9240 | |
| 310 | L | A | 0.0000 | |
| 311 | A | A | -0.3523 | |
| 312 | W | A | 0.1353 | |
| 313 | L | A | 0.3589 | |
| 314 | A | A | 0.2529 | |
| 315 | S | A | -0.2037 | |
| 316 | T | A | -0.0250 | |
| 317 | V | A | 0.0171 | |
| 318 | N | A | 0.0000 | |
| 319 | L | A | 0.0000 | |
| 320 | E | A | -0.6039 | |
| 321 | F | A | 0.0000 | |
| 322 | Q | A | -1.5865 | |
| 323 | H | A | -1.8164 | |
| 324 | A | A | 0.0000 | |
| 325 | S | A | -1.1948 | |
| 326 | P | A | -1.0013 | |
| 327 | Q | A | -1.5267 | |
| 328 | H | A | 0.0000 | |
| 329 | A | A | -0.8425 | |
| 330 | G | A | 0.0000 | |
| 331 | L | A | 0.0000 | |
| 332 | Y | A | 0.0000 | |
| 333 | L | A | 0.0000 | |
| 334 | C | A | 0.0000 | |
| 335 | V | A | 0.0000 | |
| 336 | V | A | 0.0000 | |
| 337 | Y | A | -0.9840 | |
| 338 | V | A | 0.0000 | |
| 339 | D | A | -1.8616 | |
| 340 | D | A | -2.3932 | |
| 341 | H | A | -1.5806 | |
| 342 | I | A | 0.0000 | |
| 343 | H | A | 0.0000 | |
| 344 | A | A | 0.0000 | |
| 345 | W | A | 0.0000 | |
| 346 | G | A | 0.0000 | |
| 347 | H | A | 0.0000 | |
| 348 | M | A | 0.0000 | |
| 349 | T | A | 0.0000 | |
| 350 | I | A | 0.0000 | |
| 351 | S | A | 0.0000 | |
| 352 | T | A | 0.0000 | |
| 353 | A | A | -0.1046 | |
| 354 | A | A | -0.4554 | |
| 355 | Q | A | -0.6906 | |
| 356 | Y | A | 0.0000 | |
| 357 | R | A | -0.8602 | |
| 358 | N | A | 0.0000 | |
| 359 | A | A | -0.4197 | |
| 360 | V | A | -0.4351 | |
| 361 | V | A | -0.3755 | |
| 362 | E | A | -1.1350 | |
| 363 | Q | A | -1.7545 | |
| 364 | H | A | -1.7019 | |
| 365 | L | A | -1.2104 | |
| 366 | P | A | 0.0000 | |
| 367 | Q | A | -2.5796 | |
| 368 | R | A | -3.3097 | |
| 369 | Q | A | -2.8585 | |
| 370 | P | A | -2.0682 | |
| 371 | E | A | -2.1925 | |
| 372 | P | A | -1.1580 | |
| 373 | V | A | -0.4314 | |
| 374 | E | A | -1.7167 | |
| 375 | P | A | -1.5873 | |
| 376 | T | A | -1.6202 | |
| 377 | R | A | -2.2344 | |
| 378 | P | A | -1.3707 | |
| 379 | H | A | -1.0422 | |
| 380 | V | A | 0.0000 | |
| 381 | R | A | -1.9755 | |
| 382 | A | A | 0.0000 | |
| 383 | G | A | -1.5321 | |
| 384 | G | A | -1.3195 | |
| 385 | G | A | -1.1011 | |
| 386 | G | A | -1.2175 | |
| 387 | S | A | -1.1915 | |
| 388 | G | A | -1.1271 | |
| 389 | G | A | -0.9098 | |
| 390 | G | A | -1.0709 | |
| 391 | G | A | -1.1185 | |
| 392 | S | A | -1.0959 | |
| 393 | K | A | -1.5317 | |
| 394 | D | A | -1.1454 | |
| 395 | V | A | 0.0000 | |
| 396 | L | A | 0.0000 | |
| 397 | L | A | 0.4859 | |
| 398 | L | A | 1.2680 | |
| 399 | D | A | 0.0000 | |
| 400 | V | A | -0.1432 | |
| 401 | T | A | 0.0000 | |
| 402 | P | A | -1.1454 | |
| 403 | L | A | -1.3362 | |
| 404 | S | A | 0.0000 | |
| 405 | L | A | 0.0000 | |
| 406 | G | A | 0.0000 | |
| 407 | I | A | 0.0000 | |
| 408 | E | A | -1.5257 | |
| 409 | T | A | -1.4575 | |
| 410 | K | A | -1.8184 | |
| 411 | G | A | -0.7573 | |
| 412 | G | A | -0.7662 | |
| 413 | V | A | -1.2955 | |
| 414 | M | A | 0.0000 | |
| 415 | T | A | 0.0000 | |
| 416 | K | A | -2.7498 | |
| 417 | L | A | -1.3185 | |
| 418 | I | A | 0.0000 | |
| 419 | E | A | -3.3942 | |
| 420 | R | A | -3.3679 | |
| 421 | N | A | -2.2990 | |
| 422 | T | A | -1.4708 | |
| 423 | T | A | -0.5045 | |
| 424 | I | A | 0.0052 | |
| 425 | P | A | -0.2276 | |
| 426 | T | A | 0.0000 | |
| 427 | K | A | 0.0000 | |
| 428 | R | A | -0.6564 | |
| 429 | S | A | 0.0000 | |
| 430 | E | A | 0.0000 | |
| 431 | T | A | 0.0000 | |
| 432 | F | A | 0.0000 | |
| 433 | T | A | -1.2090 | |
| 434 | T | A | 0.0000 | |
| 435 | A | A | -1.8597 | |
| 436 | D | A | -3.4268 | |
| 437 | D | A | -3.7130 | |
| 438 | N | A | -3.1945 | |
| 439 | Q | A | -2.4245 | |
| 440 | P | A | -1.5209 | |
| 441 | S | A | -1.6644 | |
| 442 | V | A | 0.0000 | |
| 443 | Q | A | -2.0303 | |
| 444 | I | A | 0.0000 | |
| 445 | Q | A | -0.6206 | |
| 446 | V | A | 0.0000 | |
| 447 | Y | A | 0.0000 | |
| 448 | Q | A | -0.9616 | |
| 449 | G | A | 0.0000 | |
| 450 | E | A | -3.1362 | |
| 451 | R | A | -2.7531 | |
| 452 | E | A | -2.6400 | |
| 453 | I | A | -1.0469 | |
| 454 | A | A | 0.0000 | |
| 455 | A | A | -0.5397 | |
| 456 | H | A | -1.0600 | |
| 457 | N | A | 0.0000 | |
| 458 | N | A | -0.6973 | |
| 459 | L | A | 0.6880 | |
| 460 | L | A | 0.8064 | |
| 461 | G | A | 0.3829 | |
| 462 | S | A | -0.4121 | |
| 463 | F | A | -0.9354 | |
| 464 | E | A | -2.3566 | |
| 465 | L | A | 0.0000 | |
| 466 | T | A | -1.4399 | |
| 467 | G | A | -1.9463 | |
| 468 | G | A | -1.4994 | |
| 469 | G | A | -1.0960 | |
| 470 | S | A | -1.0451 | |
| 471 | G | A | -1.3545 | |
| 472 | G | A | -1.7291 | |
| 473 | G | A | -2.6978 | |
| 474 | G | A | -2.0164 | |
| 475 | S | A | 0.0000 | |
| 476 | H | A | -1.4374 | |
| 477 | H | A | -0.9043 | |
| 478 | H | A | -0.5188 | |
| 479 | H | A | 0.0000 | |
| 480 | H | A | 0.0000 | |
| 481 | H | A | -0.6450 | |
| 482 | H | A | -0.6563 | |
| 483 | H | A | -0.4928 |
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