| Chain sequence(s) |
A: NGTLMQYFEWYMPNDGQWWTRLQNDSAYLAEHGITAVWIPPAYKGTSQADVGYGAYDLYDLGEFHQKGAVATKYGTKGELQAAIASLHSNDIKVYGDVVINHKGGADATEDVTAVEVDPKDRTKIISDEFLIKAWTKFTFPGRGSTYSDFKWTWYHFDGVDYDAAKNKFAIYKFKGKKWNEDVSKENGNYDYLMYADIDYDDPEVREEIKNWGVWYAEELGLDGFRLDAVKHIKWSFLRDWVLHVREKTGKEMETVAEYWQNDLEAQEEFLEKTDYNFKVFDVPLHYNFYAASQQNGAFDMRKILDNTLVSKYPDYAVTFVNNHDTQPGQSLEATVKTWYIPQAYAFILLRERGLPQVWYGDLEGTHGTSGNEIPALRDEILPILEAKKNYAYGKEHLYFDDKDLIGWTREGDPAVPNSGLATLITNGAGGSKRMFVGKANAGKTFVDITGNVSEPVKVDADGWGTFSVNGRSVSVYVPE
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 (00:10:40)
[INFO] Main: Simulation completed successfully. (00:10:44)
|
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 | N | A | -1.8189 | |
| 2 | G | A | -0.9668 | |
| 3 | T | A | 0.0000 | |
| 4 | L | A | 0.0000 | |
| 5 | M | A | 0.0000 | |
| 6 | Q | A | 0.0000 | |
| 7 | Y | A | 0.0000 | |
| 8 | F | A | 0.0000 | |
| 9 | E | A | 0.0000 | |
| 10 | W | A | 0.1928 | |
| 11 | Y | A | -0.0138 | |
| 12 | M | A | 0.0000 | |
| 13 | P | A | -1.1495 | |
| 14 | N | A | -1.9830 | |
| 15 | D | A | -1.8639 | |
| 16 | G | A | -1.4457 | |
| 17 | Q | A | -1.5260 | |
| 18 | W | A | 0.0000 | |
| 19 | W | A | 0.0000 | |
| 20 | T | A | -1.3188 | |
| 21 | R | A | -1.6616 | |
| 22 | L | A | 0.0000 | |
| 23 | Q | A | -1.6456 | |
| 24 | N | A | -1.9574 | |
| 25 | D | A | -1.5738 | |
| 26 | S | A | 0.0000 | |
| 27 | A | A | -1.1510 | |
| 28 | Y | A | -0.8162 | |
| 29 | L | A | 0.0000 | |
| 30 | A | A | -1.4010 | |
| 31 | E | A | -2.1942 | |
| 32 | H | A | -1.5413 | |
| 33 | G | A | -1.4763 | |
| 34 | I | A | 0.0000 | |
| 35 | T | A | -1.3858 | |
| 36 | A | A | 0.0000 | |
| 37 | V | A | 0.0000 | |
| 38 | W | A | 0.0000 | |
| 39 | I | A | 0.0000 | |
| 40 | P | A | 0.0000 | |
| 41 | P | A | 0.0000 | |
| 42 | A | A | 0.0000 | |
| 43 | Y | A | 0.0000 | |
| 44 | K | A | 0.0000 | |
| 45 | G | A | 0.0000 | |
| 46 | T | A | -0.4849 | |
| 47 | S | A | -0.7906 | |
| 48 | Q | A | -1.1575 | |
| 49 | A | A | -0.9407 | |
| 50 | D | A | -0.6035 | |
| 51 | V | A | 0.0000 | |
| 52 | G | A | 0.0000 | |
| 53 | Y | A | 0.0486 | |
| 54 | G | A | 0.0000 | |
| 55 | A | A | 0.0000 | |
| 56 | Y | A | 0.0000 | |
| 57 | D | A | 0.0000 | |
| 58 | L | A | 0.0000 | |
| 59 | Y | A | 0.0000 | |
| 60 | D | A | 0.0000 | |
| 61 | L | A | 0.0000 | |
| 62 | G | A | 0.0000 | |
| 63 | E | A | -0.6599 | |
| 64 | F | A | -0.5322 | |
| 65 | H | A | -0.9800 | |
| 66 | Q | A | 0.0000 | |
| 67 | K | A | -1.1057 | |
| 68 | G | A | -0.8996 | |
| 69 | A | A | -0.4789 | |
| 70 | V | A | 0.0301 | |
| 71 | A | A | -0.4244 | |
| 72 | T | A | 0.0000 | |
| 73 | K | A | 0.0000 | |
| 74 | Y | A | 0.0000 | |
| 75 | G | A | 0.0000 | |
| 76 | T | A | -0.6204 | |
| 77 | K | A | -0.8942 | |
| 78 | G | A | -1.1576 | |
| 79 | E | A | -1.3250 | |
| 80 | L | A | 0.0000 | |
| 81 | Q | A | -1.1026 | |
| 82 | A | A | -0.7415 | |
| 83 | A | A | 0.0000 | |
| 84 | I | A | 0.0000 | |
| 85 | A | A | -0.7178 | |
| 86 | S | A | -1.0311 | |
| 87 | L | A | 0.0000 | |
| 88 | H | A | -1.7383 | |
| 89 | S | A | -1.2974 | |
| 90 | N | A | -1.8674 | |
| 91 | D | A | -2.5336 | |
| 92 | I | A | 0.0000 | |
| 93 | K | A | -2.1558 | |
| 94 | V | A | 0.0000 | |
| 95 | Y | A | 0.0000 | |
| 96 | G | A | 0.0000 | |
| 97 | D | A | 0.0000 | |
| 98 | V | A | 0.0000 | |
| 99 | V | A | 0.0000 | |
| 100 | I | A | 0.0000 | |
| 101 | N | A | 0.0000 | |
| 102 | H | A | 0.0000 | |
| 103 | K | A | 0.0000 | |
| 104 | G | A | 0.0000 | |
| 105 | G | A | -0.2242 | |
| 106 | A | A | 0.0000 | |
| 107 | D | A | -0.7208 | |
| 108 | A | A | -0.4424 | |
| 109 | T | A | -0.7049 | |
| 110 | E | A | -1.1229 | |
| 111 | D | A | -1.7229 | |
| 112 | V | A | 0.0000 | |
| 113 | T | A | -0.6485 | |
| 114 | A | A | 0.0000 | |
| 115 | V | A | 0.0000 | |
| 116 | E | A | -0.1827 | |
| 117 | V | A | 0.0000 | |
| 118 | D | A | -0.8562 | |
| 119 | P | A | -1.3290 | |
| 120 | K | A | -2.6824 | |
| 121 | D | A | -2.4704 | |
| 122 | R | A | 0.0000 | |
| 123 | T | A | -1.0776 | |
| 124 | K | A | -0.8697 | |
| 125 | I | A | 0.6818 | |
| 126 | I | A | 1.2976 | |
| 127 | S | A | -0.2802 | |
| 128 | D | A | -1.8964 | |
| 129 | E | A | -1.7956 | |
| 130 | F | A | -0.1346 | |
| 131 | L | A | 0.6794 | |
| 132 | I | A | 0.0000 | |
| 133 | K | A | -1.5008 | |
| 134 | A | A | 0.0000 | |
| 135 | W | A | 0.1110 | |
| 136 | T | A | 0.0000 | |
| 137 | K | A | -0.6594 | |
| 138 | F | A | 0.0000 | |
| 139 | T | A | -0.8846 | |
| 140 | F | A | 0.0000 | |
| 141 | P | A | -0.7589 | |
| 142 | G | A | -0.8310 | |
| 143 | R | A | 0.0000 | |
| 144 | G | A | -0.8122 | |
| 145 | S | A | -1.0671 | |
| 146 | T | A | -0.2937 | |
| 147 | Y | A | 0.1761 | |
| 148 | S | A | -0.8766 | |
| 149 | D | A | -1.8276 | |
| 150 | F | A | -1.0949 | |
| 151 | K | A | -1.1276 | |
| 152 | W | A | 0.0000 | |
| 153 | T | A | 0.0176 | |
| 154 | W | A | 0.2898 | |
| 155 | Y | A | 0.4238 | |
| 156 | H | A | 0.0000 | |
| 157 | F | A | 0.0000 | |
| 158 | D | A | 0.0000 | |
| 159 | G | A | 0.0000 | |
| 160 | V | A | 0.0000 | |
| 161 | D | A | 0.6015 | |
| 162 | Y | A | 0.3046 | |
| 163 | D | A | 0.0000 | |
| 164 | A | A | -1.2217 | |
| 165 | A | A | -1.5248 | |
| 166 | K | A | -2.3662 | |
| 167 | N | A | -2.0495 | |
| 168 | K | A | -0.9232 | |
| 169 | F | A | 1.0807 | |
| 170 | A | A | 0.5725 | |
| 171 | I | A | 0.0000 | |
| 172 | Y | A | 0.0000 | |
| 173 | K | A | -1.0501 | |
| 174 | F | A | 0.0000 | |
| 175 | K | A | -1.9462 | |
| 176 | G | A | -1.5768 | |
| 177 | K | A | -1.8467 | |
| 178 | K | A | -2.6018 | |
| 179 | W | A | -1.5436 | |
| 180 | N | A | 0.0000 | |
| 181 | E | A | -2.7695 | |
| 182 | D | A | -1.9247 | |
| 183 | V | A | -1.3109 | |
| 184 | S | A | 0.0000 | |
| 185 | K | A | -2.6000 | |
| 186 | E | A | -2.1612 | |
| 187 | N | A | -2.3511 | |
| 188 | G | A | -2.2177 | |
| 189 | N | A | -2.0340 | |
| 190 | Y | A | -1.2038 | |
| 191 | D | A | 0.0000 | |
| 192 | Y | A | 0.0000 | |
| 193 | L | A | 0.7378 | |
| 194 | M | A | 0.8674 | |
| 195 | Y | A | 0.9274 | |
| 196 | A | A | 0.0000 | |
| 197 | D | A | 0.0000 | |
| 198 | I | A | 0.0000 | |
| 199 | D | A | 0.0000 | |
| 200 | Y | A | 0.0000 | |
| 201 | D | A | -2.6811 | |
| 202 | D | A | 0.0000 | |
| 203 | P | A | -2.2157 | |
| 204 | E | A | -2.7810 | |
| 205 | V | A | 0.0000 | |
| 206 | R | A | -2.9068 | |
| 207 | E | A | -3.2896 | |
| 208 | E | A | -2.2956 | |
| 209 | I | A | 0.0000 | |
| 210 | K | A | -2.1588 | |
| 211 | N | A | -2.1843 | |
| 212 | W | A | 0.0000 | |
| 213 | G | A | 0.0000 | |
| 214 | V | A | -1.4569 | |
| 215 | W | A | -1.0146 | |
| 216 | Y | A | 0.0000 | |
| 217 | A | A | 0.0000 | |
| 218 | E | A | -2.2760 | |
| 219 | E | A | -1.4770 | |
| 220 | L | A | 0.0000 | |
| 221 | G | A | -1.4180 | |
| 222 | L | A | 0.0000 | |
| 223 | D | A | -1.8315 | |
| 224 | G | A | 0.0000 | |
| 225 | F | A | 0.0000 | |
| 226 | R | A | 0.0000 | |
| 227 | L | A | 0.0000 | |
| 228 | D | A | -0.1747 | |
| 229 | A | A | 0.0000 | |
| 230 | V | A | 0.0000 | |
| 231 | K | A | -0.5102 | |
| 232 | H | A | 0.0000 | |
| 233 | I | A | 0.0000 | |
| 234 | K | A | -1.1796 | |
| 235 | W | A | 0.0000 | |
| 236 | S | A | -1.3083 | |
| 237 | F | A | 0.0000 | |
| 238 | L | A | 0.0000 | |
| 239 | R | A | -1.3966 | |
| 240 | D | A | -1.1837 | |
| 241 | W | A | 0.0000 | |
| 242 | V | A | 0.0000 | |
| 243 | L | A | -1.1702 | |
| 244 | H | A | -1.7519 | |
| 245 | V | A | 0.0000 | |
| 246 | R | A | -2.8627 | |
| 247 | E | A | -3.4300 | |
| 248 | K | A | -3.3896 | |
| 249 | T | A | -2.9164 | |
| 250 | G | A | -2.9153 | |
| 251 | K | A | -3.6532 | |
| 252 | E | A | -3.2437 | |
| 253 | M | A | 0.0000 | |
| 254 | E | A | -1.6885 | |
| 255 | T | A | 0.0000 | |
| 256 | V | A | 0.0000 | |
| 257 | A | A | 0.0000 | |
| 258 | E | A | 0.0000 | |
| 259 | Y | A | 0.0000 | |
| 260 | W | A | 0.0000 | |
| 261 | Q | A | -1.2851 | |
| 262 | N | A | -2.0155 | |
| 263 | D | A | -2.1804 | |
| 264 | L | A | 0.0000 | |
| 265 | E | A | -2.7479 | |
| 266 | A | A | 0.0000 | |
| 267 | Q | A | 0.0000 | |
| 268 | E | A | -2.3319 | |
| 269 | E | A | -2.6215 | |
| 270 | F | A | 0.0000 | |
| 271 | L | A | 0.0000 | |
| 272 | E | A | -3.2978 | |
| 273 | K | A | -2.9456 | |
| 274 | T | A | 0.0000 | |
| 275 | D | A | -2.8621 | |
| 276 | Y | A | -1.6517 | |
| 277 | N | A | -1.2221 | |
| 278 | F | A | 0.0000 | |
| 279 | K | A | -0.4974 | |
| 280 | V | A | 0.0000 | |
| 281 | F | A | 0.0000 | |
| 282 | D | A | 0.0000 | |
| 283 | V | A | 0.0000 | |
| 284 | P | A | 0.0000 | |
| 285 | L | A | 0.0000 | |
| 286 | H | A | 0.0000 | |
| 287 | Y | A | 0.0589 | |
| 288 | N | A | -0.7377 | |
| 289 | F | A | 0.0000 | |
| 290 | Y | A | -0.2117 | |
| 291 | A | A | -0.6430 | |
| 292 | A | A | 0.0000 | |
| 293 | S | A | 0.0000 | |
| 294 | Q | A | -2.0050 | |
| 295 | Q | A | -1.8075 | |
| 296 | N | A | -2.0685 | |
| 297 | G | A | -1.6005 | |
| 298 | A | A | -1.0804 | |
| 299 | F | A | -1.3458 | |
| 300 | D | A | -1.8947 | |
| 301 | M | A | 0.0000 | |
| 302 | R | A | -2.9951 | |
| 303 | K | A | -2.7661 | |
| 304 | I | A | 0.0000 | |
| 305 | L | A | -1.7067 | |
| 306 | D | A | -2.9114 | |
| 307 | N | A | -2.9677 | |
| 308 | T | A | 0.0000 | |
| 309 | L | A | 0.0000 | |
| 310 | V | A | 0.0000 | |
| 311 | S | A | -1.5916 | |
| 312 | K | A | -2.0071 | |
| 313 | Y | A | -1.1922 | |
| 314 | P | A | -1.6798 | |
| 315 | D | A | -1.9494 | |
| 316 | Y | A | -0.7764 | |
| 317 | A | A | 0.0000 | |
| 318 | V | A | 0.0000 | |
| 319 | T | A | 0.0000 | |
| 320 | F | A | 0.0000 | |
| 321 | V | A | 0.0000 | |
| 322 | N | A | 0.0000 | |
| 323 | N | A | 0.0000 | |
| 324 | H | A | 0.0000 | |
| 325 | D | A | -0.6022 | |
| 326 | T | A | 0.0000 | |
| 327 | Q | A | 0.0000 | |
| 328 | P | A | 0.0000 | |
| 329 | G | A | -1.2662 | |
| 330 | Q | A | -0.9378 | |
| 331 | S | A | -0.7370 | |
| 332 | L | A | -0.6580 | |
| 333 | E | A | -1.8622 | |
| 334 | A | A | 0.0000 | |
| 335 | T | A | -1.0169 | |
| 336 | V | A | 0.0000 | |
| 337 | K | A | -1.1782 | |
| 338 | T | A | -0.5492 | |
| 339 | W | A | -0.2083 | |
| 340 | Y | A | 0.0000 | |
| 341 | I | A | 0.0000 | |
| 342 | P | A | 0.0000 | |
| 343 | Q | A | 0.0000 | |
| 344 | A | A | 0.0000 | |
| 345 | Y | A | 0.0000 | |
| 346 | A | A | 0.0000 | |
| 347 | F | A | 0.0000 | |
| 348 | I | A | 0.0000 | |
| 349 | L | A | 0.0000 | |
| 350 | L | A | 0.0000 | |
| 351 | R | A | 0.0000 | |
| 352 | E | A | -2.7913 | |
| 353 | R | A | -2.1942 | |
| 354 | G | A | -1.3470 | |
| 355 | L | A | -0.8231 | |
| 356 | P | A | 0.0000 | |
| 357 | Q | A | 0.0000 | |
| 358 | V | A | 0.0000 | |
| 359 | W | A | 0.0000 | |
| 360 | Y | A | 0.0647 | |
| 361 | G | A | 0.0000 | |
| 362 | D | A | 0.0000 | |
| 363 | L | A | 0.0000 | |
| 364 | E | A | -0.6553 | |
| 365 | G | A | 0.0000 | |
| 366 | T | A | 0.0000 | |
| 367 | H | A | -0.9840 | |
| 368 | G | A | -0.8471 | |
| 369 | T | A | -0.8421 | |
| 370 | S | A | -1.2236 | |
| 371 | G | A | -1.4502 | |
| 372 | N | A | -1.9535 | |
| 373 | E | A | -1.5305 | |
| 374 | I | A | 0.0000 | |
| 375 | P | A | -0.7747 | |
| 376 | A | A | -0.9854 | |
| 377 | L | A | 0.0000 | |
| 378 | R | A | -2.5445 | |
| 379 | D | A | -2.9414 | |
| 380 | E | A | -2.4700 | |
| 381 | I | A | 0.0000 | |
| 382 | L | A | -1.3258 | |
| 383 | P | A | -1.2401 | |
| 384 | I | A | 0.0000 | |
| 385 | L | A | 0.0000 | |
| 386 | E | A | -1.8693 | |
| 387 | A | A | 0.0000 | |
| 388 | K | A | 0.0000 | |
| 389 | K | A | -1.9706 | |
| 390 | N | A | -1.4574 | |
| 391 | Y | A | -0.8458 | |
| 392 | A | A | 0.0000 | |
| 393 | Y | A | -1.3728 | |
| 394 | G | A | -1.6743 | |
| 395 | K | A | -2.4732 | |
| 396 | E | A | -1.5346 | |
| 397 | H | A | -0.3651 | |
| 398 | L | A | 0.7893 | |
| 399 | Y | A | -0.2751 | |
| 400 | F | A | -1.3909 | |
| 401 | D | A | -2.5355 | |
| 402 | D | A | -2.8975 | |
| 403 | K | A | -3.2468 | |
| 404 | D | A | -2.3676 | |
| 405 | L | A | 0.0000 | |
| 406 | I | A | 0.0000 | |
| 407 | G | A | 0.0000 | |
| 408 | W | A | 0.0000 | |
| 409 | T | A | 0.0000 | |
| 410 | R | A | 0.0000 | |
| 411 | E | A | -1.5285 | |
| 412 | G | A | -1.3260 | |
| 413 | D | A | -1.4140 | |
| 414 | P | A | -0.8276 | |
| 415 | A | A | -0.3659 | |
| 416 | V | A | -0.4220 | |
| 417 | P | A | -0.9548 | |
| 418 | N | A | -1.8408 | |
| 419 | S | A | 0.0000 | |
| 420 | G | A | 0.0000 | |
| 421 | L | A | 0.0000 | |
| 422 | A | A | 0.0000 | |
| 423 | T | A | 0.0000 | |
| 424 | L | A | 0.0000 | |
| 425 | I | A | 0.0000 | |
| 426 | T | A | 0.0000 | |
| 427 | N | A | 0.0000 | |
| 428 | G | A | -1.4311 | |
| 429 | A | A | -0.9541 | |
| 430 | G | A | -1.4456 | |
| 431 | G | A | -0.9029 | |
| 432 | S | A | -1.0508 | |
| 433 | K | A | -1.2812 | |
| 434 | R | A | -1.8743 | |
| 435 | M | A | 0.0000 | |
| 436 | F | A | -0.6135 | |
| 437 | V | A | 0.0000 | |
| 438 | G | A | 0.0000 | |
| 439 | K | A | -2.2554 | |
| 440 | A | A | -1.3960 | |
| 441 | N | A | 0.0000 | |
| 442 | A | A | -1.8762 | |
| 443 | G | A | -1.8642 | |
| 444 | K | A | -1.8887 | |
| 445 | T | A | -1.6678 | |
| 446 | F | A | 0.0000 | |
| 447 | V | A | -0.7032 | |
| 448 | D | A | 0.0000 | |
| 449 | I | A | -0.0136 | |
| 450 | T | A | -0.7702 | |
| 451 | G | A | -1.1066 | |
| 452 | N | A | -1.4399 | |
| 453 | V | A | -1.1195 | |
| 454 | S | A | -1.2028 | |
| 455 | E | A | -2.1861 | |
| 456 | P | A | -1.5594 | |
| 457 | V | A | -1.4117 | |
| 458 | K | A | -2.3869 | |
| 459 | V | A | 0.0000 | |
| 460 | D | A | -2.4144 | |
| 461 | A | A | -1.8294 | |
| 462 | D | A | -2.0863 | |
| 463 | G | A | 0.0000 | |
| 464 | W | A | -1.4063 | |
| 465 | G | A | 0.0000 | |
| 466 | T | A | -1.3202 | |
| 467 | F | A | 0.0000 | |
| 468 | S | A | -1.1970 | |
| 469 | V | A | 0.0000 | |
| 470 | N | A | -1.9582 | |
| 471 | G | A | -1.6304 | |
| 472 | R | A | -1.6747 | |
| 473 | S | A | -1.0954 | |
| 474 | V | A | 0.0000 | |
| 475 | S | A | 0.0000 | |
| 476 | V | A | 0.0000 | |
| 477 | Y | A | 0.0000 | |
| 478 | V | A | 0.0000 | |
| 479 | P | A | 0.0000 | |
| 480 | E | A | -1.9993 |
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