| Chain sequence(s) |
A: MQRVNMIMAESPGLITICLLGYLLSAECTVFLDHENANKILNRPKRYNSGKLEEFVQGNLERECMEEKCSFEEAREVFENTERTTEFWKQYVDGDQCESNPCLNGGSCKDDINSYECWCPFGFEGKNCELDVTCNIKNGRCEQFCKNSADNKVVCSCTEGYRLAENQKSCEPAVPFPCGRVSVSQTSKLTRAETVFPDVDYVNSTEAETILDNITQSTQSFNDFTRVVGGEDAKPGQFPWQVVLNGKVDAFCGGSIVNEKWIVTAAHCVETGVKITVVAGEHNIEETEHTEQKRNVIRIIPHHNYNAAINKYNHDIALLELDEPLVLNSYVTPICIADKEYTNIFLKFGSGYVSGWGRVFHKGRSALVLQYLRVPLVDRATCLRSTKFTIYNNMFCAGFHEGGRDSCQGDSGGPHVTEVEGTSFLTGIISWGEECAMKGKYGIYTKVSRYVNWIKEKTKLT
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] (00:00:00)
[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 minimalization (00:00:00)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:07:24)
[INFO] Main: Simulation completed successfully. (00:07:27)
|
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 | 0.0966 | |
| 2 | Q | A | -1.2933 | |
| 3 | R | A | -1.6521 | |
| 4 | V | A | 0.1960 | |
| 5 | N | A | 0.0028 | |
| 6 | M | A | 2.0355 | |
| 7 | I | A | 2.7448 | |
| 8 | M | A | 1.9073 | |
| 9 | A | A | 0.1651 | |
| 10 | E | A | -1.7947 | |
| 11 | S | A | -0.8479 | |
| 12 | P | A | -0.1701 | |
| 13 | G | A | 0.7419 | |
| 14 | L | A | 2.9903 | |
| 15 | I | A | 3.7899 | |
| 16 | T | A | 3.1026 | |
| 17 | I | A | 4.1711 | |
| 18 | C | A | 3.8355 | |
| 19 | L | A | 4.5500 | |
| 20 | L | A | 4.3347 | |
| 21 | G | A | 2.9978 | |
| 22 | Y | A | 3.6246 | |
| 23 | L | A | 3.4535 | |
| 24 | L | A | 2.7709 | |
| 25 | S | A | 1.0453 | |
| 26 | A | A | 0.3480 | |
| 27 | E | A | -0.8089 | |
| 28 | C | A | 0.7985 | |
| 29 | T | A | 1.2572 | |
| 30 | V | A | 2.7040 | |
| 31 | F | A | 2.7912 | |
| 32 | L | A | 0.9435 | |
| 33 | D | A | -1.9812 | |
| 34 | H | A | -2.9027 | |
| 35 | E | A | -3.3131 | |
| 36 | N | A | -2.0942 | |
| 37 | A | A | -1.2177 | |
| 38 | N | A | -2.6251 | |
| 39 | K | A | -2.2672 | |
| 40 | I | A | 0.5714 | |
| 41 | L | A | 0.0247 | |
| 42 | N | A | -2.0778 | |
| 43 | R | A | -2.8892 | |
| 44 | P | A | -2.5100 | |
| 45 | K | A | -3.1324 | |
| 46 | R | A | -2.6532 | |
| 47 | Y | A | -0.7860 | |
| 48 | N | A | -1.3538 | |
| 49 | S | A | -1.6665 | |
| 50 | G | A | -1.6067 | |
| 51 | K | A | -1.5953 | |
| 52 | L | A | -0.3735 | |
| 53 | E | A | -1.9890 | |
| 54 | E | A | -1.5113 | |
| 55 | F | A | 0.8048 | |
| 56 | V | A | 0.1506 | |
| 57 | Q | A | -1.2423 | |
| 58 | G | A | -2.0424 | |
| 59 | N | A | -2.6316 | |
| 60 | L | A | -2.3692 | |
| 61 | E | A | -3.2698 | |
| 62 | R | A | -3.8541 | |
| 63 | E | A | -4.3183 | |
| 64 | C | A | 0.0000 | |
| 65 | M | A | -2.0321 | |
| 66 | E | A | -3.3694 | |
| 67 | E | A | -3.8474 | |
| 68 | K | A | -3.0815 | |
| 69 | C | A | 0.0000 | |
| 70 | S | A | -1.6400 | |
| 71 | F | A | -1.1627 | |
| 72 | E | A | -3.0145 | |
| 73 | E | A | -3.1355 | |
| 74 | A | A | 0.0000 | |
| 75 | R | A | -3.5601 | |
| 76 | E | A | -3.1313 | |
| 77 | V | A | -0.7945 | |
| 78 | F | A | -1.6898 | |
| 79 | E | A | -2.8548 | |
| 80 | N | A | -2.7579 | |
| 81 | T | A | -2.7567 | |
| 82 | E | A | -3.3939 | |
| 83 | R | A | -3.3146 | |
| 84 | T | A | 0.0000 | |
| 85 | T | A | -2.0351 | |
| 86 | E | A | -2.7813 | |
| 87 | F | A | 0.0000 | |
| 88 | W | A | -0.7827 | |
| 89 | K | A | -1.1320 | |
| 90 | Q | A | -1.4560 | |
| 91 | Y | A | 0.0639 | |
| 92 | V | A | 0.9088 | |
| 93 | D | A | -0.7980 | |
| 94 | G | A | -1.5361 | |
| 95 | D | A | -2.8561 | |
| 96 | Q | A | -2.7718 | |
| 97 | C | A | -2.4924 | |
| 98 | E | A | -2.8663 | |
| 99 | S | A | -1.9574 | |
| 100 | N | A | -2.0307 | |
| 101 | P | A | -1.2731 | |
| 102 | C | A | -0.7683 | |
| 103 | L | A | -0.2607 | |
| 104 | N | A | -0.9446 | |
| 105 | G | A | -0.4613 | |
| 106 | G | A | -0.3284 | |
| 107 | S | A | -0.3661 | |
| 108 | C | A | -1.0846 | |
| 109 | K | A | -1.5220 | |
| 110 | D | A | -2.4346 | |
| 111 | D | A | -2.2956 | |
| 112 | I | A | -0.4344 | |
| 113 | N | A | -1.3814 | |
| 114 | S | A | -1.5368 | |
| 115 | Y | A | -1.6838 | |
| 116 | E | A | -2.2380 | |
| 117 | C | A | -1.0397 | |
| 118 | W | A | 0.5753 | |
| 119 | C | A | 0.2260 | |
| 120 | P | A | 0.8015 | |
| 121 | F | A | 1.1364 | |
| 122 | G | A | 0.1340 | |
| 123 | F | A | -0.0516 | |
| 124 | E | A | -1.5424 | |
| 125 | G | A | -1.5729 | |
| 126 | K | A | -2.2701 | |
| 127 | N | A | -1.5398 | |
| 128 | C | A | 0.0000 | |
| 129 | E | A | -1.0485 | |
| 130 | L | A | -0.4331 | |
| 131 | D | A | -0.5194 | |
| 132 | V | A | -0.6765 | |
| 133 | T | A | -0.9708 | |
| 134 | C | A | -1.6995 | |
| 135 | N | A | -1.7158 | |
| 136 | I | A | -0.8863 | |
| 137 | K | A | -2.1859 | |
| 138 | N | A | -1.8272 | |
| 139 | G | A | 0.0000 | |
| 140 | R | A | -2.0976 | |
| 141 | C | A | 0.0000 | |
| 142 | E | A | -2.0768 | |
| 143 | Q | A | 0.0000 | |
| 144 | F | A | -0.8467 | |
| 145 | C | A | 0.0000 | |
| 146 | K | A | -2.3136 | |
| 147 | N | A | -2.6229 | |
| 148 | S | A | -2.2398 | |
| 149 | A | A | -1.8748 | |
| 150 | D | A | -2.7934 | |
| 151 | N | A | -2.9189 | |
| 152 | K | A | -2.8041 | |
| 153 | V | A | -1.8069 | |
| 154 | V | A | -1.1200 | |
| 155 | C | A | 0.0000 | |
| 156 | S | A | -0.9284 | |
| 157 | C | A | -1.1613 | |
| 158 | T | A | 0.0000 | |
| 159 | E | A | -1.9457 | |
| 160 | G | A | -1.1101 | |
| 161 | Y | A | -1.5834 | |
| 162 | R | A | -2.7874 | |
| 163 | L | A | -2.3419 | |
| 164 | A | A | -2.6588 | |
| 165 | E | A | -3.2916 | |
| 166 | N | A | -2.9319 | |
| 167 | Q | A | -3.0304 | |
| 168 | K | A | -2.7247 | |
| 169 | S | A | -2.4564 | |
| 170 | C | A | -2.3003 | |
| 171 | E | A | -2.5139 | |
| 172 | P | A | -1.2318 | |
| 173 | A | A | -0.7056 | |
| 174 | V | A | 0.3449 | |
| 175 | P | A | 0.3932 | |
| 176 | F | A | 0.6721 | |
| 177 | P | A | 0.0000 | |
| 178 | C | A | -0.0893 | |
| 179 | G | A | 0.0000 | |
| 180 | R | A | -0.2262 | |
| 181 | V | A | 0.3365 | |
| 182 | S | A | 0.0936 | |
| 183 | V | A | -0.2529 | |
| 184 | S | A | -0.6267 | |
| 185 | Q | A | -1.5197 | |
| 186 | T | A | -0.9468 | |
| 187 | S | A | -1.0451 | |
| 188 | K | A | -1.4854 | |
| 189 | L | A | -0.0632 | |
| 190 | T | A | -0.9250 | |
| 191 | R | A | -2.1228 | |
| 192 | A | A | -1.2561 | |
| 193 | E | A | -1.5950 | |
| 194 | T | A | 0.1880 | |
| 195 | V | A | 1.8599 | |
| 196 | F | A | 2.1905 | |
| 197 | P | A | 0.5446 | |
| 198 | D | A | -0.6469 | |
| 199 | V | A | 0.7466 | |
| 200 | D | A | -0.4872 | |
| 201 | Y | A | 1.2464 | |
| 202 | V | A | 1.4986 | |
| 203 | N | A | -0.4066 | |
| 204 | S | A | -0.7518 | |
| 205 | T | A | -1.3568 | |
| 206 | E | A | -2.2384 | |
| 207 | A | A | -1.7463 | |
| 208 | E | A | -1.5442 | |
| 209 | T | A | 0.3507 | |
| 210 | I | A | 1.7287 | |
| 211 | L | A | 1.3560 | |
| 212 | D | A | -0.6580 | |
| 213 | N | A | -0.7258 | |
| 214 | I | A | 0.7099 | |
| 215 | T | A | -0.2769 | |
| 216 | Q | A | -1.1139 | |
| 217 | S | A | -0.9689 | |
| 218 | T | A | -0.8817 | |
| 219 | Q | A | -1.2387 | |
| 220 | S | A | -0.4932 | |
| 221 | F | A | 0.7466 | |
| 222 | N | A | -0.9250 | |
| 223 | D | A | -1.3862 | |
| 224 | F | A | 0.5608 | |
| 225 | T | A | -0.5219 | |
| 226 | R | A | -0.8829 | |
| 227 | V | A | 0.0000 | |
| 228 | V | A | -0.0407 | |
| 229 | G | A | -0.6663 | |
| 230 | G | A | 0.0000 | |
| 231 | E | A | -2.5837 | |
| 232 | D | A | -1.9154 | |
| 233 | A | A | 0.0000 | |
| 234 | K | A | -2.1278 | |
| 235 | P | A | -1.1855 | |
| 236 | G | A | -0.5162 | |
| 237 | Q | A | -0.7425 | |
| 238 | F | A | 0.0000 | |
| 239 | P | A | 0.0000 | |
| 240 | W | A | 0.0000 | |
| 241 | Q | A | 0.0000 | |
| 242 | V | A | 0.0000 | |
| 243 | V | A | 0.0000 | |
| 244 | L | A | 0.0000 | |
| 245 | N | A | -1.2919 | |
| 246 | G | A | -1.3132 | |
| 247 | K | A | -1.5504 | |
| 248 | V | A | 0.0801 | |
| 249 | D | A | -1.2654 | |
| 250 | A | A | -0.4107 | |
| 251 | F | A | -0.1693 | |
| 252 | C | A | 0.0000 | |
| 253 | G | A | 0.0000 | |
| 254 | G | A | 0.0000 | |
| 255 | S | A | 0.0000 | |
| 256 | I | A | 0.0000 | |
| 257 | V | A | -0.3760 | |
| 258 | N | A | -0.3110 | |
| 259 | E | A | -0.5219 | |
| 260 | K | A | -1.0851 | |
| 261 | W | A | 0.0000 | |
| 262 | I | A | 0.0000 | |
| 263 | V | A | 0.0000 | |
| 264 | T | A | 0.0000 | |
| 265 | A | A | 0.0000 | |
| 266 | A | A | 0.0000 | |
| 267 | H | A | -0.9135 | |
| 268 | C | A | -0.5138 | |
| 269 | V | A | 0.0000 | |
| 270 | E | A | -2.0679 | |
| 271 | T | A | -1.3694 | |
| 272 | G | A | -1.2897 | |
| 273 | V | A | -1.5318 | |
| 274 | K | A | -2.0212 | |
| 275 | I | A | 0.0000 | |
| 276 | T | A | -1.1715 | |
| 277 | V | A | 0.0000 | |
| 278 | V | A | 0.0000 | |
| 279 | A | A | 0.0000 | |
| 280 | G | A | 0.0000 | |
| 281 | E | A | -1.1597 | |
| 282 | H | A | -1.1068 | |
| 283 | N | A | -1.1596 | |
| 284 | I | A | -1.2204 | |
| 285 | E | A | -2.4859 | |
| 286 | E | A | -2.8908 | |
| 287 | T | A | -2.0147 | |
| 288 | E | A | -1.9855 | |
| 289 | H | A | -1.7123 | |
| 290 | T | A | -1.1295 | |
| 291 | E | A | -1.3309 | |
| 292 | Q | A | -1.0132 | |
| 293 | K | A | -2.3532 | |
| 294 | R | A | -1.8915 | |
| 295 | N | A | -1.5718 | |
| 296 | V | A | -0.3617 | |
| 297 | I | A | 0.5751 | |
| 298 | R | A | -0.3656 | |
| 299 | I | A | -0.0811 | |
| 300 | I | A | -0.2490 | |
| 301 | P | A | -0.8307 | |
| 302 | H | A | -1.0386 | |
| 303 | H | A | -1.7332 | |
| 304 | N | A | -1.9799 | |
| 305 | Y | A | -1.2081 | |
| 306 | N | A | -0.9172 | |
| 307 | A | A | -0.5403 | |
| 308 | A | A | 0.5370 | |
| 309 | I | A | 1.5261 | |
| 310 | N | A | 0.1149 | |
| 311 | K | A | -0.8373 | |
| 312 | Y | A | -0.2815 | |
| 313 | N | A | -0.6332 | |
| 314 | H | A | -1.3279 | |
| 315 | D | A | 0.0000 | |
| 316 | I | A | 0.0000 | |
| 317 | A | A | 0.0000 | |
| 318 | L | A | 0.0000 | |
| 319 | L | A | 0.0000 | |
| 320 | E | A | -0.7333 | |
| 321 | L | A | 0.0000 | |
| 322 | D | A | -1.7404 | |
| 323 | E | A | -2.4391 | |
| 324 | P | A | -1.2143 | |
| 325 | L | A | 0.0000 | |
| 326 | V | A | 1.4235 | |
| 327 | L | A | 0.9774 | |
| 328 | N | A | 0.4546 | |
| 329 | S | A | 0.2018 | |
| 330 | Y | A | 0.5232 | |
| 331 | V | A | 0.0000 | |
| 332 | T | A | 0.0000 | |
| 333 | P | A | 0.0000 | |
| 334 | I | A | 0.0000 | |
| 335 | C | A | 0.0000 | |
| 336 | I | A | 0.0000 | |
| 337 | A | A | 0.0000 | |
| 338 | D | A | -3.6065 | |
| 339 | K | A | -4.1002 | |
| 340 | E | A | -3.3247 | |
| 341 | Y | A | 0.0000 | |
| 342 | T | A | 0.0000 | |
| 343 | N | A | -1.8602 | |
| 344 | I | A | -0.6545 | |
| 345 | F | A | 0.0000 | |
| 346 | L | A | 0.0000 | |
| 347 | K | A | -0.8325 | |
| 348 | F | A | 1.0347 | |
| 349 | G | A | 0.1459 | |
| 350 | S | A | -0.2628 | |
| 351 | G | A | 0.0000 | |
| 352 | Y | A | -0.6342 | |
| 353 | V | A | 0.0000 | |
| 354 | S | A | 0.0000 | |
| 355 | G | A | 0.0000 | |
| 356 | W | A | 0.0000 | |
| 357 | G | A | 0.0000 | |
| 358 | R | A | -1.4612 | |
| 359 | V | A | 0.0000 | |
| 360 | F | A | 0.0622 | |
| 361 | H | A | -1.3232 | |
| 362 | K | A | -2.3907 | |
| 363 | G | A | -1.4987 | |
| 364 | R | A | -2.2433 | |
| 365 | S | A | -1.2266 | |
| 366 | A | A | 0.0000 | |
| 367 | L | A | -0.5120 | |
| 368 | V | A | -0.7548 | |
| 369 | L | A | 0.0000 | |
| 370 | Q | A | 0.0000 | |
| 371 | Y | A | -1.1452 | |
| 372 | L | A | 0.0000 | |
| 373 | R | A | -1.9942 | |
| 374 | V | A | 0.0000 | |
| 375 | P | A | -0.4526 | |
| 376 | L | A | -0.4007 | |
| 377 | V | A | 0.0000 | |
| 378 | D | A | -2.3502 | |
| 379 | R | A | -2.1804 | |
| 380 | A | A | -1.2339 | |
| 381 | T | A | -1.4394 | |
| 382 | C | A | 0.0000 | |
| 383 | L | A | -0.5800 | |
| 384 | R | A | -1.8278 | |
| 385 | S | A | -1.4779 | |
| 386 | T | A | -1.0461 | |
| 387 | K | A | -1.4772 | |
| 388 | F | A | 0.0026 | |
| 389 | T | A | 0.1242 | |
| 390 | I | A | 0.0000 | |
| 391 | Y | A | -0.1098 | |
| 392 | N | A | -1.5861 | |
| 393 | N | A | 0.0000 | |
| 394 | M | A | 0.0000 | |
| 395 | F | A | 0.0000 | |
| 396 | C | A | 0.0000 | |
| 397 | A | A | 0.0000 | |
| 398 | G | A | 0.0000 | |
| 399 | F | A | -1.1900 | |
| 400 | H | A | -2.2563 | |
| 401 | E | A | -2.5776 | |
| 402 | G | A | 0.0000 | |
| 403 | G | A | -1.1728 | |
| 404 | R | A | -1.4904 | |
| 405 | D | A | 0.0000 | |
| 406 | S | A | 0.0000 | |
| 407 | C | A | 0.0000 | |
| 408 | Q | A | -1.9285 | |
| 409 | G | A | -0.8532 | |
| 410 | D | A | 0.0000 | |
| 411 | S | A | -0.2803 | |
| 412 | G | A | 0.0000 | |
| 413 | G | A | 0.0000 | |
| 414 | P | A | 0.0000 | |
| 415 | H | A | 0.0000 | |
| 416 | V | A | 0.0000 | |
| 417 | T | A | 0.0000 | |
| 418 | E | A | -1.6229 | |
| 419 | V | A | 0.0000 | |
| 420 | E | A | -2.4960 | |
| 421 | G | A | -1.7397 | |
| 422 | T | A | 0.0000 | |
| 423 | S | A | 0.0000 | |
| 424 | F | A | 0.0000 | |
| 425 | L | A | 0.0000 | |
| 426 | T | A | 0.0000 | |
| 427 | G | A | 0.0000 | |
| 428 | I | A | 0.0000 | |
| 429 | I | A | 0.0000 | |
| 430 | S | A | 0.0000 | |
| 431 | W | A | -0.5960 | |
| 432 | G | A | -0.9738 | |
| 433 | E | A | -1.4309 | |
| 434 | E | A | -2.3169 | |
| 435 | C | A | -1.5440 | |
| 436 | A | A | -1.2771 | |
| 437 | M | A | -1.7405 | |
| 438 | K | A | -2.6565 | |
| 439 | G | A | -1.9990 | |
| 440 | K | A | -1.8904 | |
| 441 | Y | A | 0.0000 | |
| 442 | G | A | 0.0000 | |
| 443 | I | A | 0.0000 | |
| 444 | Y | A | 0.0000 | |
| 445 | T | A | 0.0000 | |
| 446 | K | A | -1.0977 | |
| 447 | V | A | 0.0000 | |
| 448 | S | A | 0.0000 | |
| 449 | R | A | -3.1960 | |
| 450 | Y | A | 0.0000 | |
| 451 | V | A | 0.0000 | |
| 452 | N | A | -3.1661 | |
| 453 | W | A | 0.0000 | |
| 454 | I | A | 0.0000 | |
| 455 | K | A | -2.9224 | |
| 456 | E | A | -3.2484 | |
| 457 | K | A | -2.2711 | |
| 458 | T | A | 0.0000 | |
| 459 | K | A | -1.9646 | |
| 460 | L | A | 0.0462 | |
| 461 | T | A | 0.1862 |
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