| Chain sequence(s) |
A: MPIFVNTVYCKNILALYTTKKFKTIIEAIGGNIIVNSTILKKLSPYFCTHLRQKYTKNKDPVTRVCLDLDIHSLTSIVIYSYTGKVYIDSHNVVNLLRASILTSVEFIIYTCINFILRDFRKEYCIECYMMGIEYGLSNLLCHTKDFITKHFLELEDDIIDNFDYLSMKLILESDELNVPDEDYVVDFVIKWYMRRRNRLGNLLLLIKNVIRSNYLSPRGIHNVKWILDCNIIFHCDKQPRKSYKYPFIEYPMNMDQIIDIFHMCTSTHVGEVVYLIGGWMNNEIHNNAIAVNYISNNWIPIPPMNSPRLYASGIPANNKLYVVGGLPNPTSVERWFHGDAAWVNMPSLLKPRCNPAVASINNVIYVMGGHSETDTTTEYLLPNHDQWQFGPSTYYPHYKSCALVFGRRLFLVGRNAEFYCESSNTWTLIDDPIYPRDNPELIIVDNKLLLIGGFYRGSYIDTIEVYNNRTYSWNIWDGMEW
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| 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] FoldX: Starting FoldX energy minimalization (00:00:01)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:06:26)
[INFO] Main: Simulation completed successfully. (00:06:29)
|
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 | 1.2859 | |
| 2 | P | A | 1.1137 | |
| 3 | I | A | 1.5863 | |
| 4 | F | A | 1.4499 | |
| 5 | V | A | 1.4863 | |
| 6 | N | A | 0.6807 | |
| 7 | T | A | 0.4563 | |
| 8 | V | A | 1.1041 | |
| 9 | Y | A | 0.3648 | |
| 10 | C | A | -0.0897 | |
| 11 | K | A | -1.1216 | |
| 12 | N | A | -0.9373 | |
| 13 | I | A | 0.0000 | |
| 14 | L | A | 1.0215 | |
| 15 | A | A | 0.3253 | |
| 16 | L | A | 0.2750 | |
| 17 | Y | A | 0.3720 | |
| 18 | T | A | 0.0475 | |
| 19 | T | A | -0.7527 | |
| 20 | K | A | -2.4864 | |
| 21 | K | A | -2.5413 | |
| 22 | F | A | -1.2570 | |
| 23 | K | A | -1.7004 | |
| 24 | T | A | 0.0399 | |
| 25 | I | A | 1.7283 | |
| 26 | I | A | 1.1555 | |
| 27 | E | A | -0.6882 | |
| 28 | A | A | -0.2147 | |
| 29 | I | A | 0.3474 | |
| 30 | G | A | -0.0487 | |
| 31 | G | A | -0.7004 | |
| 32 | N | A | -0.7768 | |
| 33 | I | A | 0.0000 | |
| 34 | I | A | 0.0000 | |
| 35 | V | A | 0.0000 | |
| 36 | N | A | -0.3063 | |
| 37 | S | A | -0.9100 | |
| 38 | T | A | -0.7692 | |
| 39 | I | A | 0.0000 | |
| 40 | L | A | 0.0000 | |
| 41 | K | A | -1.6718 | |
| 42 | K | A | -1.9104 | |
| 43 | L | A | -1.0475 | |
| 44 | S | A | 0.0000 | |
| 45 | P | A | -0.6023 | |
| 46 | Y | A | -0.0901 | |
| 47 | F | A | 0.0000 | |
| 48 | C | A | -1.1444 | |
| 49 | T | A | -1.1576 | |
| 50 | H | A | -1.3888 | |
| 51 | L | A | 0.0000 | |
| 52 | R | A | -2.6019 | |
| 53 | Q | A | -2.5108 | |
| 54 | K | A | -2.1301 | |
| 55 | Y | A | -2.2414 | |
| 56 | T | A | -2.0162 | |
| 57 | K | A | -3.0130 | |
| 58 | N | A | -3.4290 | |
| 59 | K | A | -3.3730 | |
| 60 | D | A | -3.1956 | |
| 61 | P | A | -1.5022 | |
| 62 | V | A | -0.3179 | |
| 63 | T | A | -1.4732 | |
| 64 | R | A | -1.9440 | |
| 65 | V | A | 0.0000 | |
| 66 | C | A | -0.2879 | |
| 67 | L | A | 0.0000 | |
| 68 | D | A | -1.5948 | |
| 69 | L | A | -1.0775 | |
| 70 | D | A | -1.4703 | |
| 71 | I | A | -0.5316 | |
| 72 | H | A | -1.0808 | |
| 73 | S | A | 0.0000 | |
| 74 | L | A | 0.0000 | |
| 75 | T | A | -0.2660 | |
| 76 | S | A | -0.0242 | |
| 77 | I | A | 0.0000 | |
| 78 | V | A | 0.0000 | |
| 79 | I | A | 0.7813 | |
| 80 | Y | A | 0.0000 | |
| 81 | S | A | 0.0000 | |
| 82 | Y | A | 0.4872 | |
| 83 | T | A | 0.1598 | |
| 84 | G | A | 0.0000 | |
| 85 | K | A | 0.2870 | |
| 86 | V | A | 0.0000 | |
| 87 | Y | A | 1.3400 | |
| 88 | I | A | 0.0000 | |
| 89 | D | A | -0.5955 | |
| 90 | S | A | -1.5506 | |
| 91 | H | A | -1.3998 | |
| 92 | N | A | -1.0654 | |
| 93 | V | A | 0.0000 | |
| 94 | V | A | 0.0000 | |
| 95 | N | A | -1.2307 | |
| 96 | L | A | 0.0000 | |
| 97 | L | A | 0.0000 | |
| 98 | R | A | -0.7544 | |
| 99 | A | A | 0.0000 | |
| 100 | S | A | 0.0000 | |
| 101 | I | A | 0.4059 | |
| 102 | L | A | 0.7922 | |
| 103 | T | A | 0.0000 | |
| 104 | S | A | -0.2245 | |
| 105 | V | A | 0.0000 | |
| 106 | E | A | -1.1690 | |
| 107 | F | A | 0.1170 | |
| 108 | I | A | 0.0000 | |
| 109 | I | A | 0.2487 | |
| 110 | Y | A | 0.9208 | |
| 111 | T | A | 0.6692 | |
| 112 | C | A | 0.0000 | |
| 113 | I | A | 0.0000 | |
| 114 | N | A | -0.9083 | |
| 115 | F | A | -0.9697 | |
| 116 | I | A | 0.0000 | |
| 117 | L | A | -1.6289 | |
| 118 | R | A | -2.7704 | |
| 119 | D | A | -3.0057 | |
| 120 | F | A | -2.3440 | |
| 121 | R | A | -3.2495 | |
| 122 | K | A | -2.8600 | |
| 123 | E | A | -3.0518 | |
| 124 | Y | A | 0.0000 | |
| 125 | C | A | 0.0000 | |
| 126 | I | A | 0.0000 | |
| 127 | E | A | -1.2936 | |
| 128 | C | A | 0.0000 | |
| 129 | Y | A | 0.0000 | |
| 130 | M | A | -0.6213 | |
| 131 | M | A | 0.0000 | |
| 132 | G | A | 0.0000 | |
| 133 | I | A | 0.0622 | |
| 134 | E | A | -1.1126 | |
| 135 | Y | A | 0.1772 | |
| 136 | G | A | -0.3916 | |
| 137 | L | A | -0.1408 | |
| 138 | S | A | -0.3931 | |
| 139 | N | A | -1.1805 | |
| 140 | L | A | 0.0000 | |
| 141 | L | A | -0.1272 | |
| 142 | C | A | -0.0310 | |
| 143 | H | A | -0.4806 | |
| 144 | T | A | 0.0000 | |
| 145 | K | A | -0.8682 | |
| 146 | D | A | -1.3831 | |
| 147 | F | A | -1.1198 | |
| 148 | I | A | 0.0000 | |
| 149 | T | A | 0.0000 | |
| 150 | K | A | -2.1078 | |
| 151 | H | A | -1.6192 | |
| 152 | F | A | 0.0000 | |
| 153 | L | A | -0.8120 | |
| 154 | E | A | -2.3475 | |
| 155 | L | A | 0.0000 | |
| 156 | E | A | -2.3467 | |
| 157 | D | A | -3.3808 | |
| 158 | D | A | -3.4487 | |
| 159 | I | A | 0.0000 | |
| 160 | I | A | 0.0000 | |
| 161 | D | A | -3.7396 | |
| 162 | N | A | -2.6537 | |
| 163 | F | A | 0.0000 | |
| 164 | D | A | -1.9714 | |
| 165 | Y | A | -0.4332 | |
| 166 | L | A | 0.4273 | |
| 167 | S | A | 0.0000 | |
| 168 | M | A | 0.0000 | |
| 169 | K | A | -0.5270 | |
| 170 | L | A | 0.0143 | |
| 171 | I | A | 0.0000 | |
| 172 | L | A | 0.0000 | |
| 173 | E | A | -1.7278 | |
| 174 | S | A | -2.0020 | |
| 175 | D | A | -3.0401 | |
| 176 | E | A | -2.9583 | |
| 177 | L | A | 0.0000 | |
| 178 | N | A | -1.8051 | |
| 179 | V | A | 0.0000 | |
| 180 | P | A | -0.4312 | |
| 181 | D | A | -0.5666 | |
| 182 | E | A | 0.0000 | |
| 183 | D | A | -1.0321 | |
| 184 | Y | A | -0.7040 | |
| 185 | V | A | 0.0000 | |
| 186 | V | A | 0.0000 | |
| 187 | D | A | -1.9393 | |
| 188 | F | A | 0.0000 | |
| 189 | V | A | 0.0000 | |
| 190 | I | A | -0.8160 | |
| 191 | K | A | -1.7385 | |
| 192 | W | A | 0.0000 | |
| 193 | Y | A | -1.4993 | |
| 194 | M | A | -1.4469 | |
| 195 | R | A | -2.9578 | |
| 196 | R | A | -3.4170 | |
| 197 | R | A | -3.0184 | |
| 198 | N | A | -2.4921 | |
| 199 | R | A | -2.0223 | |
| 200 | L | A | -0.1050 | |
| 201 | G | A | -0.1165 | |
| 202 | N | A | -0.4302 | |
| 203 | L | A | 0.0000 | |
| 204 | L | A | 0.4012 | |
| 205 | L | A | 0.5667 | |
| 206 | L | A | 0.0000 | |
| 207 | I | A | 0.0000 | |
| 208 | K | A | -1.3686 | |
| 209 | N | A | -1.4226 | |
| 210 | V | A | 0.0000 | |
| 211 | I | A | 0.0000 | |
| 212 | R | A | 0.0000 | |
| 213 | S | A | 0.0000 | |
| 214 | N | A | -1.2506 | |
| 215 | Y | A | 0.0000 | |
| 216 | L | A | 0.0000 | |
| 217 | S | A | 0.0000 | |
| 218 | P | A | -1.1094 | |
| 219 | R | A | -1.6804 | |
| 220 | G | A | 0.0000 | |
| 221 | I | A | -0.5927 | |
| 222 | H | A | -1.3833 | |
| 223 | N | A | -1.2400 | |
| 224 | V | A | 0.0000 | |
| 225 | K | A | -0.5791 | |
| 226 | W | A | -0.0625 | |
| 227 | I | A | 0.1889 | |
| 228 | L | A | -0.3324 | |
| 229 | D | A | -1.3096 | |
| 230 | C | A | -0.4388 | |
| 231 | N | A | -0.4552 | |
| 232 | I | A | 1.3065 | |
| 233 | I | A | 0.6170 | |
| 234 | F | A | -0.2410 | |
| 235 | H | A | -1.2305 | |
| 236 | C | A | -1.9024 | |
| 237 | D | A | -2.5409 | |
| 238 | K | A | -2.4285 | |
| 239 | Q | A | -2.2994 | |
| 240 | P | A | 0.0000 | |
| 241 | R | A | 0.0000 | |
| 242 | K | A | -2.8995 | |
| 243 | S | A | -1.9940 | |
| 244 | Y | A | 0.0000 | |
| 245 | K | A | -1.5496 | |
| 246 | Y | A | 0.0000 | |
| 247 | P | A | -0.7965 | |
| 248 | F | A | -0.2498 | |
| 249 | I | A | 0.0000 | |
| 250 | E | A | -1.8206 | |
| 251 | Y | A | -0.9340 | |
| 252 | P | A | -0.9351 | |
| 253 | M | A | -1.4269 | |
| 254 | N | A | -2.3353 | |
| 255 | M | A | 0.0000 | |
| 256 | D | A | -2.9705 | |
| 257 | Q | A | -2.5287 | |
| 258 | I | A | 0.0000 | |
| 259 | I | A | -1.4665 | |
| 260 | D | A | -2.3608 | |
| 261 | I | A | -1.0845 | |
| 262 | F | A | 0.0000 | |
| 263 | H | A | -0.9989 | |
| 264 | M | A | 0.1179 | |
| 265 | C | A | 0.2412 | |
| 266 | T | A | 0.0000 | |
| 267 | S | A | -0.2251 | |
| 268 | T | A | -0.3561 | |
| 269 | H | A | -1.0534 | |
| 270 | V | A | -0.7958 | |
| 271 | G | A | -1.1512 | |
| 272 | E | A | -1.0458 | |
| 273 | V | A | 0.0000 | |
| 274 | V | A | -0.2096 | |
| 275 | Y | A | 0.0000 | |
| 276 | L | A | 0.0000 | |
| 277 | I | A | 0.0000 | |
| 278 | G | A | 0.0000 | |
| 279 | G | A | 0.0000 | |
| 280 | W | A | -0.7852 | |
| 281 | M | A | -1.5786 | |
| 282 | N | A | -2.3474 | |
| 283 | N | A | -2.5981 | |
| 284 | E | A | -2.6368 | |
| 285 | I | A | -0.9260 | |
| 286 | H | A | -0.9300 | |
| 287 | N | A | -0.9537 | |
| 288 | N | A | -0.5643 | |
| 289 | A | A | 0.0000 | |
| 290 | I | A | 0.0000 | |
| 291 | A | A | 0.0000 | |
| 292 | V | A | 0.0000 | |
| 293 | N | A | 0.0000 | |
| 294 | Y | A | 1.1233 | |
| 295 | I | A | 1.6540 | |
| 296 | S | A | 0.0902 | |
| 297 | N | A | -0.8096 | |
| 298 | N | A | -0.6072 | |
| 299 | W | A | 0.0000 | |
| 300 | I | A | 0.0000 | |
| 301 | P | A | 0.0000 | |
| 302 | I | A | 0.0000 | |
| 303 | P | A | -0.5699 | |
| 304 | P | A | -0.7168 | |
| 305 | M | A | 0.0000 | |
| 306 | N | A | -1.6094 | |
| 307 | S | A | -1.0626 | |
| 308 | P | A | -0.7986 | |
| 309 | R | A | 0.0000 | |
| 310 | L | A | 0.0000 | |
| 311 | Y | A | 0.7708 | |
| 312 | A | A | 0.2697 | |
| 313 | S | A | 0.0810 | |
| 314 | G | A | -0.1671 | |
| 315 | I | A | -0.2531 | |
| 316 | P | A | -0.9675 | |
| 317 | A | A | 0.0000 | |
| 318 | N | A | -2.5152 | |
| 319 | N | A | -2.0782 | |
| 320 | K | A | -1.3586 | |
| 321 | L | A | 0.0000 | |
| 322 | Y | A | 0.0000 | |
| 323 | V | A | 0.0000 | |
| 324 | V | A | 0.0000 | |
| 325 | G | A | 0.0000 | |
| 326 | G | A | 0.0000 | |
| 327 | L | A | 0.2637 | |
| 328 | P | A | -0.1484 | |
| 329 | N | A | -0.6986 | |
| 330 | P | A | -0.4685 | |
| 331 | T | A | -0.4387 | |
| 332 | S | A | -0.5300 | |
| 333 | V | A | 0.0000 | |
| 334 | E | A | 0.0000 | |
| 335 | R | A | -0.8153 | |
| 336 | W | A | 0.0000 | |
| 337 | F | A | -0.5302 | |
| 338 | H | A | 0.0000 | |
| 339 | G | A | -0.8370 | |
| 340 | D | A | -0.7683 | |
| 341 | A | A | -0.3295 | |
| 342 | A | A | -0.4876 | |
| 343 | W | A | 0.0000 | |
| 344 | V | A | -0.2976 | |
| 345 | N | A | -1.2521 | |
| 346 | M | A | -0.9888 | |
| 347 | P | A | -1.1161 | |
| 348 | S | A | -0.8275 | |
| 349 | L | A | 0.0000 | |
| 350 | L | A | 0.0944 | |
| 351 | K | A | -0.3835 | |
| 352 | P | A | -0.5941 | |
| 353 | R | A | 0.0000 | |
| 354 | C | A | -0.0973 | |
| 355 | N | A | -0.2147 | |
| 356 | P | A | 0.0000 | |
| 357 | A | A | 0.0000 | |
| 358 | V | A | 0.0000 | |
| 359 | A | A | 0.0000 | |
| 360 | S | A | -0.6456 | |
| 361 | I | A | 0.0000 | |
| 362 | N | A | -2.3446 | |
| 363 | N | A | -2.5206 | |
| 364 | V | A | 0.0000 | |
| 365 | I | A | 0.0000 | |
| 366 | Y | A | 0.0000 | |
| 367 | V | A | 0.0000 | |
| 368 | M | A | 0.0000 | |
| 369 | G | A | 0.0000 | |
| 370 | G | A | 0.0000 | |
| 371 | H | A | -1.2555 | |
| 372 | S | A | -1.2856 | |
| 373 | E | A | -1.9080 | |
| 374 | T | A | -0.9788 | |
| 375 | D | A | 0.0000 | |
| 376 | T | A | -0.0137 | |
| 377 | T | A | 0.2203 | |
| 378 | T | A | 0.0000 | |
| 379 | E | A | 0.0000 | |
| 380 | Y | A | 0.2368 | |
| 381 | L | A | 0.0000 | |
| 382 | L | A | -1.3596 | |
| 383 | P | A | -1.7737 | |
| 384 | N | A | -2.4102 | |
| 385 | H | A | -2.8196 | |
| 386 | D | A | -3.1063 | |
| 387 | Q | A | -2.6119 | |
| 388 | W | A | 0.0000 | |
| 389 | Q | A | -0.2532 | |
| 390 | F | A | 1.2722 | |
| 391 | G | A | 0.2970 | |
| 392 | P | A | 0.0760 | |
| 393 | S | A | 0.3724 | |
| 394 | T | A | 0.0000 | |
| 395 | Y | A | 1.6080 | |
| 396 | Y | A | 0.7243 | |
| 397 | P | A | -0.3872 | |
| 398 | H | A | 0.0000 | |
| 399 | Y | A | -0.9349 | |
| 400 | K | A | -1.2424 | |
| 401 | S | A | 0.0000 | |
| 402 | C | A | 0.0000 | |
| 403 | A | A | 0.0792 | |
| 404 | L | A | 0.5396 | |
| 405 | V | A | 0.0355 | |
| 406 | F | A | -0.3808 | |
| 407 | G | A | -1.4408 | |
| 408 | R | A | -2.5129 | |
| 409 | R | A | -1.4981 | |
| 410 | L | A | 0.0000 | |
| 411 | F | A | 0.0000 | |
| 412 | L | A | 0.0000 | |
| 413 | V | A | 0.0000 | |
| 414 | G | A | 0.0000 | |
| 415 | R | A | -1.9964 | |
| 416 | N | A | -1.2694 | |
| 417 | A | A | 0.0000 | |
| 418 | E | A | 0.0000 | |
| 419 | F | A | 0.0000 | |
| 420 | Y | A | 0.0000 | |
| 421 | C | A | -1.5257 | |
| 422 | E | A | -2.3013 | |
| 423 | S | A | -1.5182 | |
| 424 | S | A | -1.2852 | |
| 425 | N | A | -1.8922 | |
| 426 | T | A | -1.0224 | |
| 427 | W | A | 0.0000 | |
| 428 | T | A | 0.6035 | |
| 429 | L | A | 0.7000 | |
| 430 | I | A | 0.0000 | |
| 431 | D | A | -1.7489 | |
| 432 | D | A | -1.4883 | |
| 433 | P | A | 0.0000 | |
| 434 | I | A | 0.6293 | |
| 435 | Y | A | 0.7721 | |
| 436 | P | A | -0.5608 | |
| 437 | R | A | 0.0000 | |
| 438 | D | A | -0.9985 | |
| 439 | N | A | -1.6619 | |
| 440 | P | A | 0.0000 | |
| 441 | E | A | -1.4390 | |
| 442 | L | A | 0.0000 | |
| 443 | I | A | 0.9737 | |
| 444 | I | A | 1.0342 | |
| 445 | V | A | -0.0326 | |
| 446 | D | A | -2.1584 | |
| 447 | N | A | -1.8078 | |
| 448 | K | A | -1.3296 | |
| 449 | L | A | 0.0000 | |
| 450 | L | A | 0.0000 | |
| 451 | L | A | 0.0000 | |
| 452 | I | A | -0.0602 | |
| 453 | G | A | -0.2341 | |
| 454 | G | A | 0.0000 | |
| 455 | F | A | 0.7586 | |
| 456 | Y | A | -0.1630 | |
| 457 | R | A | -1.4786 | |
| 458 | G | A | -0.8056 | |
| 459 | S | A | -0.0322 | |
| 460 | Y | A | 0.9847 | |
| 461 | I | A | 0.3034 | |
| 462 | D | A | -1.0244 | |
| 463 | T | A | 0.0428 | |
| 464 | I | A | 0.4562 | |
| 465 | E | A | 0.0000 | |
| 466 | V | A | 0.0000 | |
| 467 | Y | A | 0.0000 | |
| 468 | N | A | -1.7833 | |
| 469 | N | A | -1.9411 | |
| 470 | R | A | -2.3234 | |
| 471 | T | A | -1.4347 | |
| 472 | Y | A | -1.0416 | |
| 473 | S | A | -1.3888 | |
| 474 | W | A | 0.0000 | |
| 475 | N | A | -0.3710 | |
| 476 | I | A | 0.7859 | |
| 477 | W | A | -0.0622 | |
| 478 | D | A | -1.4918 | |
| 479 | G | A | -0.9509 | |
| 480 | M | A | -0.6238 | |
| 481 | E | A | -1.5093 | |
| 482 | W | A | 0.2555 |
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