| Chain sequence(s) |
A: MYLHLTALCVVIPLCYGASMFKHDHYMDNGVRYPNGDGICKQLNETKCDAGFSYDRSICEGPHYWHTISKCFIACGIGQRQSPINIVSYDAKFRQRLPKLKFKPHMEKLKTEVTNHQNRAPEFEPEDGENLYVKLNNLVDGHYKFHNLHVHNGRTRRKGSEHSVNGRFTPMEAHLVFHHDDQTHFEPTRTKLGGAFPGHNDFVVVGVFLEVGDDGFGDEPDDEECKHILKGHHPDNNENGNGDNGNNGYNGDNGNNGDNGNNSYNGDNGNNGVNGNNGYNGDNGNNGDNGNNGYNGDNGNNGDNGNNGENGNNGENGNNGENGHKHGCRVKKAKHLSRILECAYRNDKVREFKKVGEEEGLDVHLTPEMALPPLKYRHYYTYEGSLTTPPCTESVLWVVQKCHVQVSRRVLHALRNVEGYKDGTTLRKYGTRRPTQKNKVTVYKSFK
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 (00:07:58)
[INFO] Main: Simulation completed successfully. (00:08:00)
|
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 | 1.9578 | |
| 2 | Y | A | 2.4885 | |
| 3 | L | A | 2.3045 | |
| 4 | H | A | 0.9637 | |
| 5 | L | A | 1.7119 | |
| 6 | T | A | 1.1565 | |
| 7 | A | A | 1.4704 | |
| 8 | L | A | 2.8120 | |
| 9 | C | A | 3.0993 | |
| 10 | V | A | 3.9225 | |
| 11 | V | A | 4.1533 | |
| 12 | I | A | 3.8212 | |
| 13 | P | A | 2.5560 | |
| 14 | L | A | 2.8980 | |
| 15 | C | A | 2.2006 | |
| 16 | Y | A | 1.7517 | |
| 17 | G | A | 0.4511 | |
| 18 | A | A | 0.5235 | |
| 19 | S | A | 0.2867 | |
| 20 | M | A | 0.6699 | |
| 21 | F | A | 0.4248 | |
| 22 | K | A | -1.4976 | |
| 23 | H | A | -1.3484 | |
| 24 | D | A | -1.5956 | |
| 25 | H | A | -1.8365 | |
| 26 | Y | A | -1.6253 | |
| 27 | M | A | -1.8288 | |
| 28 | D | A | -2.9933 | |
| 29 | N | A | -2.2436 | |
| 30 | G | A | -1.1676 | |
| 31 | V | A | 0.2774 | |
| 32 | R | A | 0.0000 | |
| 33 | Y | A | 1.0516 | |
| 34 | P | A | -0.1350 | |
| 35 | N | A | -1.4354 | |
| 36 | G | A | -1.4660 | |
| 37 | D | A | -1.9026 | |
| 38 | G | A | -0.4855 | |
| 39 | I | A | 0.4972 | |
| 40 | C | A | 0.0000 | |
| 41 | K | A | -1.8797 | |
| 42 | Q | A | -2.2521 | |
| 43 | L | A | -1.7925 | |
| 44 | N | A | -2.3765 | |
| 45 | E | A | -2.0938 | |
| 46 | T | A | -1.9814 | |
| 47 | K | A | -2.3897 | |
| 48 | C | A | -1.2136 | |
| 49 | D | A | -1.5966 | |
| 50 | A | A | 0.0000 | |
| 51 | G | A | 0.0000 | |
| 52 | F | A | 0.0000 | |
| 53 | S | A | 0.0000 | |
| 54 | Y | A | 0.0000 | |
| 55 | D | A | -1.4872 | |
| 56 | R | A | -1.3050 | |
| 57 | S | A | -0.5993 | |
| 58 | I | A | 0.0000 | |
| 59 | C | A | 0.0000 | |
| 60 | E | A | 0.0000 | |
| 61 | G | A | 0.0000 | |
| 62 | P | A | 0.0000 | |
| 63 | H | A | -1.3552 | |
| 64 | Y | A | -0.4716 | |
| 65 | W | A | 0.0000 | |
| 66 | H | A | -0.4834 | |
| 67 | T | A | 0.0000 | |
| 68 | I | A | 0.0000 | |
| 69 | S | A | 0.0000 | |
| 70 | K | A | -2.3401 | |
| 71 | C | A | -1.1165 | |
| 72 | F | A | 0.0000 | |
| 73 | I | A | 0.1862 | |
| 74 | A | A | 0.2239 | |
| 75 | C | A | 0.0000 | |
| 76 | G | A | 0.2126 | |
| 77 | I | A | 1.5111 | |
| 78 | G | A | 0.0472 | |
| 79 | Q | A | -1.5621 | |
| 80 | R | A | -1.2761 | |
| 81 | Q | A | 0.0000 | |
| 82 | S | A | 0.0000 | |
| 83 | P | A | 0.0000 | |
| 84 | I | A | 0.0000 | |
| 85 | N | A | -0.9898 | |
| 86 | I | A | 0.0000 | |
| 87 | V | A | 0.6202 | |
| 88 | S | A | 0.2299 | |
| 89 | Y | A | 0.3268 | |
| 90 | D | A | -1.1578 | |
| 91 | A | A | 0.0000 | |
| 92 | K | A | -2.1263 | |
| 93 | F | A | -1.8319 | |
| 94 | R | A | -2.5015 | |
| 95 | Q | A | -2.8207 | |
| 96 | R | A | -2.9515 | |
| 97 | L | A | -1.9759 | |
| 98 | P | A | -2.1881 | |
| 99 | K | A | -2.2185 | |
| 100 | L | A | 0.0000 | |
| 101 | K | A | -2.2339 | |
| 102 | F | A | -1.8397 | |
| 103 | K | A | -2.7187 | |
| 104 | P | A | -2.1172 | |
| 105 | H | A | -2.2202 | |
| 106 | M | A | -2.0454 | |
| 107 | E | A | -2.6347 | |
| 108 | K | A | -2.8203 | |
| 109 | L | A | 0.0000 | |
| 110 | K | A | -3.0778 | |
| 111 | T | A | 0.0000 | |
| 112 | E | A | -2.7240 | |
| 113 | V | A | 0.0000 | |
| 114 | T | A | 0.0000 | |
| 115 | N | A | 0.0000 | |
| 116 | H | A | -1.0724 | |
| 117 | Q | A | -0.8825 | |
| 118 | N | A | -0.7267 | |
| 119 | R | A | -0.5908 | |
| 120 | A | A | 0.0000 | |
| 121 | P | A | 0.0000 | |
| 122 | E | A | -0.6452 | |
| 123 | F | A | 0.0000 | |
| 124 | E | A | -2.0008 | |
| 125 | P | A | -2.5770 | |
| 126 | E | A | -3.4207 | |
| 127 | D | A | -3.0948 | |
| 128 | G | A | -2.0131 | |
| 129 | E | A | -2.0558 | |
| 130 | N | A | -1.9899 | |
| 131 | L | A | 0.0000 | |
| 132 | Y | A | -1.7612 | |
| 133 | V | A | 0.0000 | |
| 134 | K | A | -3.0495 | |
| 135 | L | A | 0.0000 | |
| 136 | N | A | -2.8340 | |
| 137 | N | A | -2.3273 | |
| 138 | L | A | 0.0000 | |
| 139 | V | A | 0.0000 | |
| 140 | D | A | -2.1128 | |
| 141 | G | A | -2.0697 | |
| 142 | H | A | -2.0160 | |
| 143 | Y | A | 0.0000 | |
| 144 | K | A | -1.5066 | |
| 145 | F | A | 0.0000 | |
| 146 | H | A | -0.6059 | |
| 147 | N | A | 0.0000 | |
| 148 | L | A | 0.0000 | |
| 149 | H | A | -0.3083 | |
| 150 | V | A | 0.0000 | |
| 151 | H | A | 0.0000 | |
| 152 | N | A | 0.0000 | |
| 153 | G | A | 0.0000 | |
| 154 | R | A | -2.5164 | |
| 155 | T | A | -2.5996 | |
| 156 | R | A | -3.6284 | |
| 157 | R | A | -3.7317 | |
| 158 | K | A | -2.9981 | |
| 159 | G | A | 0.0000 | |
| 160 | S | A | 0.0000 | |
| 161 | E | A | 0.0000 | |
| 162 | H | A | 0.0000 | |
| 163 | S | A | 0.0000 | |
| 164 | V | A | -0.2845 | |
| 165 | N | A | -0.6201 | |
| 166 | G | A | -1.2746 | |
| 167 | R | A | -2.4179 | |
| 168 | F | A | -1.8328 | |
| 169 | T | A | 0.0000 | |
| 170 | P | A | 0.0000 | |
| 171 | M | A | 0.0000 | |
| 172 | E | A | 0.0000 | |
| 173 | A | A | 0.0000 | |
| 174 | H | A | 0.0000 | |
| 175 | L | A | 0.0000 | |
| 176 | V | A | 0.0000 | |
| 177 | F | A | 0.0000 | |
| 178 | H | A | -1.2458 | |
| 179 | H | A | -1.9218 | |
| 180 | D | A | -2.1478 | |
| 181 | D | A | -2.0487 | |
| 182 | Q | A | -1.7434 | |
| 183 | T | A | -1.2394 | |
| 184 | H | A | -1.2174 | |
| 185 | F | A | -0.5390 | |
| 186 | E | A | -1.8677 | |
| 187 | P | A | 0.0000 | |
| 188 | T | A | -1.3979 | |
| 189 | R | A | -1.9802 | |
| 190 | T | A | -1.8902 | |
| 191 | K | A | -2.0064 | |
| 192 | L | A | 0.0000 | |
| 193 | G | A | -1.0048 | |
| 194 | G | A | -0.5171 | |
| 195 | A | A | 0.1044 | |
| 196 | F | A | 0.7459 | |
| 197 | P | A | 0.0690 | |
| 198 | G | A | -0.9812 | |
| 199 | H | A | -1.6840 | |
| 200 | N | A | -1.4016 | |
| 201 | D | A | -2.2213 | |
| 202 | F | A | 0.0000 | |
| 203 | V | A | 0.0000 | |
| 204 | V | A | 0.0000 | |
| 205 | V | A | 0.0000 | |
| 206 | G | A | 0.0000 | |
| 207 | V | A | 0.0000 | |
| 208 | F | A | 0.0000 | |
| 209 | L | A | 0.0000 | |
| 210 | E | A | -1.6646 | |
| 211 | V | A | -1.9638 | |
| 212 | G | A | -2.0119 | |
| 213 | D | A | -3.1755 | |
| 214 | D | A | -2.9550 | |
| 215 | G | A | -2.1017 | |
| 216 | F | A | -0.7270 | |
| 217 | G | A | -1.5006 | |
| 218 | D | A | -2.4687 | |
| 219 | E | A | -3.2024 | |
| 220 | P | A | 0.0000 | |
| 221 | D | A | -4.5285 | |
| 222 | D | A | -4.6261 | |
| 223 | E | A | -4.6107 | |
| 224 | E | A | -4.1392 | |
| 225 | C | A | 0.0000 | |
| 226 | K | A | -3.5896 | |
| 227 | H | A | -2.9355 | |
| 228 | I | A | -1.1447 | |
| 229 | L | A | -0.9885 | |
| 230 | K | A | -2.0336 | |
| 231 | G | A | -1.4483 | |
| 232 | H | A | -2.1315 | |
| 233 | H | A | -2.5391 | |
| 234 | P | A | -2.1429 | |
| 235 | D | A | -3.1597 | |
| 236 | N | A | -3.3069 | |
| 237 | N | A | -3.4145 | |
| 238 | E | A | -3.5590 | |
| 239 | N | A | -2.9560 | |
| 240 | G | A | -2.3597 | |
| 241 | N | A | -2.5775 | |
| 242 | G | A | -2.3945 | |
| 243 | D | A | -3.2068 | |
| 244 | N | A | -2.9549 | |
| 245 | G | A | -2.4749 | |
| 246 | N | A | -2.5851 | |
| 247 | N | A | -2.2269 | |
| 248 | G | A | -1.1929 | |
| 249 | Y | A | -0.3619 | |
| 250 | N | A | -1.7334 | |
| 251 | G | A | -2.0418 | |
| 252 | D | A | -3.0492 | |
| 253 | N | A | -3.1135 | |
| 254 | G | A | -2.5709 | |
| 255 | N | A | -2.9662 | |
| 256 | N | A | -2.8995 | |
| 257 | G | A | -2.6227 | |
| 258 | D | A | -3.1414 | |
| 259 | N | A | -2.8920 | |
| 260 | G | A | -2.4611 | |
| 261 | N | A | -2.4709 | |
| 262 | N | A | -1.9522 | |
| 263 | S | A | -0.7677 | |
| 264 | Y | A | 0.2277 | |
| 265 | N | A | -1.6084 | |
| 266 | G | A | -1.9923 | |
| 267 | D | A | -3.1782 | |
| 268 | N | A | -3.0977 | |
| 269 | G | A | -2.5459 | |
| 270 | N | A | -2.5336 | |
| 271 | N | A | -2.1187 | |
| 272 | G | A | -0.9593 | |
| 273 | V | A | 0.2000 | |
| 274 | N | A | -1.3923 | |
| 275 | G | A | -1.6671 | |
| 276 | N | A | -2.1655 | |
| 277 | N | A | -2.2336 | |
| 278 | G | A | -1.1858 | |
| 279 | Y | A | -0.3412 | |
| 280 | N | A | -1.7333 | |
| 281 | G | A | -2.0249 | |
| 282 | D | A | -3.0466 | |
| 283 | N | A | -3.1031 | |
| 284 | G | A | -2.5644 | |
| 285 | N | A | -2.9554 | |
| 286 | N | A | -2.9584 | |
| 287 | G | A | -2.6736 | |
| 288 | D | A | -3.3318 | |
| 289 | N | A | -3.0866 | |
| 290 | G | A | -2.5327 | |
| 291 | N | A | -2.5921 | |
| 292 | N | A | -2.2387 | |
| 293 | G | A | -1.1711 | |
| 294 | Y | A | -0.0346 | |
| 295 | N | A | -1.6800 | |
| 296 | G | A | -2.0138 | |
| 297 | D | A | -3.1729 | |
| 298 | N | A | -3.0771 | |
| 299 | G | A | -2.5297 | |
| 300 | N | A | -2.9229 | |
| 301 | N | A | -2.9911 | |
| 302 | G | A | -2.6856 | |
| 303 | D | A | -3.3594 | |
| 304 | N | A | -3.1309 | |
| 305 | G | A | -2.5985 | |
| 306 | N | A | -2.9975 | |
| 307 | N | A | -3.0193 | |
| 308 | G | A | -2.7446 | |
| 309 | E | A | -3.4264 | |
| 310 | N | A | -3.1555 | |
| 311 | G | A | -2.6357 | |
| 312 | N | A | -3.0274 | |
| 313 | N | A | -3.0148 | |
| 314 | G | A | -2.7615 | |
| 315 | E | A | -3.4335 | |
| 316 | N | A | -3.1642 | |
| 317 | G | A | -2.6763 | |
| 318 | N | A | -3.0573 | |
| 319 | N | A | -3.0437 | |
| 320 | G | A | -2.8585 | |
| 321 | E | A | -3.4350 | |
| 322 | N | A | -3.1444 | |
| 323 | G | A | -2.9313 | |
| 324 | H | A | -2.9432 | |
| 325 | K | A | -3.0242 | |
| 326 | H | A | -2.4602 | |
| 327 | G | A | -2.0972 | |
| 328 | C | A | -2.0996 | |
| 329 | R | A | -3.1126 | |
| 330 | V | A | 0.0000 | |
| 331 | K | A | -3.7308 | |
| 332 | K | A | -3.6860 | |
| 333 | A | A | -2.9095 | |
| 334 | K | A | -2.7000 | |
| 335 | H | A | -1.5174 | |
| 336 | L | A | 0.0000 | |
| 337 | S | A | 0.0000 | |
| 338 | R | A | -1.7104 | |
| 339 | I | A | 0.0000 | |
| 340 | L | A | 0.0000 | |
| 341 | E | A | 0.0000 | |
| 342 | C | A | 0.0000 | |
| 343 | A | A | 0.0000 | |
| 344 | Y | A | 0.0000 | |
| 345 | R | A | -2.1435 | |
| 346 | N | A | -2.0056 | |
| 347 | D | A | -2.6395 | |
| 348 | K | A | -2.4957 | |
| 349 | V | A | 0.0000 | |
| 350 | R | A | -2.4572 | |
| 351 | E | A | -2.5857 | |
| 352 | F | A | -1.8874 | |
| 353 | K | A | -2.5858 | |
| 354 | K | A | -2.2542 | |
| 355 | V | A | -0.8521 | |
| 356 | G | A | -1.8592 | |
| 357 | E | A | -3.2374 | |
| 358 | E | A | -3.3927 | |
| 359 | E | A | -3.5278 | |
| 360 | G | A | -2.3728 | |
| 361 | L | A | 0.0000 | |
| 362 | D | A | -3.2644 | |
| 363 | V | A | 0.0000 | |
| 364 | H | A | -2.9233 | |
| 365 | L | A | 0.0000 | |
| 366 | T | A | 0.0000 | |
| 367 | P | A | 0.0000 | |
| 368 | E | A | -0.6274 | |
| 369 | M | A | -0.8773 | |
| 370 | A | A | 0.0000 | |
| 371 | L | A | 0.0000 | |
| 372 | P | A | 0.0000 | |
| 373 | P | A | -0.8747 | |
| 374 | L | A | -0.5777 | |
| 375 | K | A | -1.5204 | |
| 376 | Y | A | -1.0290 | |
| 377 | R | A | -0.9068 | |
| 378 | H | A | -0.8757 | |
| 379 | Y | A | 0.0000 | |
| 380 | Y | A | 0.0000 | |
| 381 | T | A | 0.0000 | |
| 382 | Y | A | 0.0000 | |
| 383 | E | A | -0.0917 | |
| 384 | G | A | 0.0000 | |
| 385 | S | A | 0.0000 | |
| 386 | L | A | 0.1353 | |
| 387 | T | A | 0.0000 | |
| 388 | T | A | -0.0206 | |
| 389 | P | A | 0.0000 | |
| 390 | P | A | -0.0660 | |
| 391 | C | A | 0.0000 | |
| 392 | T | A | -0.2534 | |
| 393 | E | A | -0.9170 | |
| 394 | S | A | -1.0229 | |
| 395 | V | A | 0.0000 | |
| 396 | L | A | 0.0000 | |
| 397 | W | A | 0.0000 | |
| 398 | V | A | 0.0000 | |
| 399 | V | A | 0.0000 | |
| 400 | Q | A | 0.0000 | |
| 401 | K | A | 0.0000 | |
| 402 | C | A | 0.0000 | |
| 403 | H | A | -0.9710 | |
| 404 | V | A | 0.0000 | |
| 405 | Q | A | -1.8123 | |
| 406 | V | A | 0.0000 | |
| 407 | S | A | 0.0000 | |
| 408 | R | A | -3.8065 | |
| 409 | R | A | -3.5104 | |
| 410 | V | A | 0.0000 | |
| 411 | L | A | 0.0000 | |
| 412 | H | A | -1.8634 | |
| 413 | A | A | 0.0000 | |
| 414 | L | A | 0.0000 | |
| 415 | R | A | -1.3385 | |
| 416 | N | A | -1.4724 | |
| 417 | V | A | 0.0000 | |
| 418 | E | A | -1.4919 | |
| 419 | G | A | 0.0000 | |
| 420 | Y | A | -0.9802 | |
| 421 | K | A | -1.4302 | |
| 422 | D | A | -2.5773 | |
| 423 | G | A | -1.7239 | |
| 424 | T | A | -0.6606 | |
| 425 | T | A | -0.7837 | |
| 426 | L | A | -0.3782 | |
| 427 | R | A | -1.6112 | |
| 428 | K | A | 0.0000 | |
| 429 | Y | A | -0.5728 | |
| 430 | G | A | -0.9393 | |
| 431 | T | A | 0.0000 | |
| 432 | R | A | -0.6123 | |
| 433 | R | A | 0.0000 | |
| 434 | P | A | -0.6333 | |
| 435 | T | A | -0.8072 | |
| 436 | Q | A | -1.7892 | |
| 437 | K | A | -2.5883 | |
| 438 | N | A | -2.4461 | |
| 439 | K | A | -2.4079 | |
| 440 | V | A | -1.1483 | |
| 441 | T | A | -0.8607 | |
| 442 | V | A | -0.6054 | |
| 443 | Y | A | 0.0000 | |
| 444 | K | A | -1.2620 | |
| 445 | S | A | -1.7377 | |
| 446 | F | A | 0.0000 | |
| 447 | K | A | -1.9017 |
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