| Chain sequence(s) |
A: MLGPLPLNPEPEVRSTDEFVEPTDLYCVAETDLIRERGHPFKDIVVDGKVLVPRVSAWQARVFKLTLPDPNKFPLPSDDFVDFSTEILIWRLKAFKIHRYGPLGTGTVGHKNFNRLGDVENPTEPVHETEDDTVDYSWRPKRLQSFIIGCEPPIGKYTTRAEPCPGLPPGACPPTVVKYTIIQHGDMCDIGFGAKDFKELEPEKNNVPEIILDTTCIEFAYDLMKAEKYGWRMFTYNEKESSYESHKFVRDGPDLHPLPDRNPPSKLYKKPPPDSPDFILPSYNYFTIPDEGEITEEDLLFNKPIFLEKTEGKNNGVCWHNQLYITVVDNTRAEIKEIRTRTSTPIPDVYDESNYVTSLEHEIEYRLEFILQLCRIPLTPETLEELERLDPSILVDAELPFIPPVERPDPYAGLKFREIDLTNKLSTNLEETPLGRAFLNR
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX 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] runJob: FoldX not utilized. Treating input pdb file as it was already optimized. (00:00:00)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:00:01)
[INFO] Main: Simulation completed successfully. (00:00:04)
|
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 | 1.6270 | |
| 2 | L | A | 2.0128 | |
| 3 | G | A | 0.7892 | |
| 4 | P | A | 0.9262 | |
| 5 | L | A | 1.6669 | |
| 6 | P | A | 0.7067 | |
| 7 | L | A | 0.8639 | |
| 8 | N | A | -1.0264 | |
| 9 | P | A | -1.7390 | |
| 10 | E | A | -2.5990 | |
| 11 | P | A | -2.4090 | |
| 12 | E | A | -2.8560 | |
| 13 | V | A | -2.1870 | |
| 14 | R | A | -2.9236 | |
| 15 | S | A | -2.4878 | |
| 16 | T | A | 0.0000 | |
| 17 | D | A | -3.4052 | |
| 18 | E | A | -3.2736 | |
| 19 | F | A | 0.0000 | |
| 20 | V | A | 0.0000 | |
| 21 | E | A | -2.2108 | |
| 22 | P | A | -1.5856 | |
| 23 | T | A | 0.0000 | |
| 24 | D | A | -1.6876 | |
| 25 | L | A | -0.6057 | |
| 26 | Y | A | -0.2160 | |
| 27 | C | A | 0.0000 | |
| 28 | V | A | 0.0000 | |
| 29 | A | A | 0.0000 | |
| 30 | E | A | -1.2322 | |
| 31 | T | A | 0.0000 | |
| 32 | D | A | -2.1430 | |
| 33 | L | A | -1.2899 | |
| 34 | I | A | 0.0000 | |
| 35 | R | A | -2.7139 | |
| 36 | E | A | -2.2449 | |
| 37 | R | A | -2.6626 | |
| 38 | G | A | 0.0000 | |
| 39 | H | A | -1.2190 | |
| 40 | P | A | 0.0000 | |
| 41 | F | A | -0.8527 | |
| 42 | K | A | -1.7812 | |
| 43 | D | A | -0.5642 | |
| 44 | I | A | 1.4975 | |
| 45 | V | A | 2.2602 | |
| 46 | V | A | 1.5633 | |
| 47 | D | A | -1.0224 | |
| 48 | G | A | -0.6026 | |
| 49 | K | A | -0.2320 | |
| 50 | V | A | 1.9735 | |
| 51 | L | A | 2.6406 | |
| 52 | V | A | 1.2663 | |
| 53 | P | A | -0.1616 | |
| 54 | R | A | -1.2185 | |
| 55 | V | A | 0.0000 | |
| 56 | S | A | 0.0000 | |
| 57 | A | A | 0.0000 | |
| 58 | W | A | 0.0000 | |
| 59 | Q | A | 0.0000 | |
| 60 | A | A | 0.0000 | |
| 61 | R | A | 0.0000 | |
| 62 | V | A | 0.0000 | |
| 63 | F | A | 0.0000 | |
| 64 | K | A | -1.6086 | |
| 65 | L | A | 0.0000 | |
| 66 | T | A | -1.2259 | |
| 67 | L | A | 0.0000 | |
| 68 | P | A | 0.0000 | |
| 69 | D | A | -1.1732 | |
| 70 | P | A | 0.0000 | |
| 71 | N | A | -1.3048 | |
| 72 | K | A | -1.8581 | |
| 73 | F | A | -0.8358 | |
| 74 | P | A | -0.6924 | |
| 75 | L | A | -0.6997 | |
| 76 | P | A | -0.7354 | |
| 77 | S | A | -1.5671 | |
| 78 | D | A | -2.8900 | |
| 79 | D | A | -2.7941 | |
| 80 | F | A | -1.4558 | |
| 81 | V | A | 0.0000 | |
| 82 | D | A | -1.7728 | |
| 83 | F | A | 0.1508 | |
| 84 | S | A | -0.1832 | |
| 85 | T | A | -0.3370 | |
| 86 | E | A | -0.4342 | |
| 87 | I | A | 0.0000 | |
| 88 | L | A | 0.0000 | |
| 89 | I | A | 0.0000 | |
| 90 | W | A | 0.0000 | |
| 91 | R | A | 0.0000 | |
| 92 | L | A | 0.0000 | |
| 93 | K | A | -0.6174 | |
| 94 | A | A | 0.0000 | |
| 95 | F | A | 0.0000 | |
| 96 | K | A | -0.8571 | |
| 97 | I | A | 0.0000 | |
| 98 | H | A | -0.7180 | |
| 99 | R | A | 0.0000 | |
| 100 | Y | A | -0.2532 | |
| 101 | G | A | -0.5049 | |
| 102 | P | A | -0.3353 | |
| 103 | L | A | -0.1223 | |
| 104 | G | A | -0.3355 | |
| 105 | T | A | -0.7117 | |
| 106 | G | A | 0.0000 | |
| 107 | T | A | -0.5786 | |
| 108 | V | A | 0.0000 | |
| 109 | G | A | -1.3989 | |
| 110 | H | A | 0.0000 | |
| 111 | K | A | -3.2335 | |
| 112 | N | A | -3.2539 | |
| 113 | F | A | 0.0000 | |
| 114 | N | A | 0.0000 | |
| 115 | R | A | -1.1437 | |
| 116 | L | A | -0.9326 | |
| 117 | G | A | -1.1580 | |
| 118 | D | A | -1.3983 | |
| 119 | V | A | -0.9604 | |
| 120 | E | A | -1.9573 | |
| 121 | N | A | -2.2574 | |
| 122 | P | A | -1.7007 | |
| 123 | T | A | -1.5384 | |
| 124 | E | A | -2.2840 | |
| 125 | P | A | -1.2882 | |
| 126 | V | A | -0.9249 | |
| 127 | H | A | -1.4465 | |
| 128 | E | A | -2.5287 | |
| 129 | T | A | -2.5367 | |
| 130 | E | A | -3.1280 | |
| 131 | D | A | -3.2109 | |
| 132 | D | A | -2.2606 | |
| 133 | T | A | -1.9998 | |
| 134 | V | A | -1.6471 | |
| 135 | D | A | -2.7741 | |
| 136 | Y | A | -1.4439 | |
| 137 | S | A | -0.9286 | |
| 138 | W | A | 0.0000 | |
| 139 | R | A | -0.8427 | |
| 140 | P | A | 0.0000 | |
| 141 | K | A | -0.7028 | |
| 142 | R | A | 0.0000 | |
| 143 | L | A | 0.0000 | |
| 144 | Q | A | 0.0000 | |
| 145 | S | A | 0.0000 | |
| 146 | F | A | 0.0000 | |
| 147 | I | A | 0.0000 | |
| 148 | I | A | 0.0000 | |
| 149 | G | A | 0.0000 | |
| 150 | C | A | 0.0000 | |
| 151 | E | A | -0.3000 | |
| 152 | P | A | 0.0000 | |
| 153 | P | A | 0.0000 | |
| 154 | I | A | 0.2661 | |
| 155 | G | A | 0.0000 | |
| 156 | K | A | -0.1419 | |
| 157 | Y | A | -0.1875 | |
| 158 | T | A | -0.1895 | |
| 159 | T | A | 0.0000 | |
| 160 | R | A | -2.0621 | |
| 161 | A | A | -1.3167 | |
| 162 | E | A | -1.9726 | |
| 163 | P | A | -0.7741 | |
| 164 | C | A | 0.1756 | |
| 165 | P | A | -0.1877 | |
| 166 | G | A | -0.1334 | |
| 167 | L | A | 0.4645 | |
| 168 | P | A | -0.1890 | |
| 169 | P | A | -0.3798 | |
| 170 | G | A | -0.1519 | |
| 171 | A | A | 0.2643 | |
| 172 | C | A | 0.5793 | |
| 173 | P | A | -0.3565 | |
| 174 | P | A | -0.3873 | |
| 175 | T | A | -0.3476 | |
| 176 | V | A | 0.5339 | |
| 177 | V | A | 1.1849 | |
| 178 | K | A | 0.0434 | |
| 179 | Y | A | 0.9783 | |
| 180 | T | A | 0.3511 | |
| 181 | I | A | 0.3680 | |
| 182 | I | A | 0.0000 | |
| 183 | Q | A | -0.8811 | |
| 184 | H | A | -1.2732 | |
| 185 | G | A | -0.8397 | |
| 186 | D | A | -0.8273 | |
| 187 | M | A | 0.0000 | |
| 188 | C | A | 0.0000 | |
| 189 | D | A | -0.7344 | |
| 190 | I | A | 0.0000 | |
| 191 | G | A | -0.3889 | |
| 192 | F | A | -0.0962 | |
| 193 | G | A | -0.5180 | |
| 194 | A | A | -0.7341 | |
| 195 | K | A | -1.4877 | |
| 196 | D | A | -1.9485 | |
| 197 | F | A | 0.0000 | |
| 198 | K | A | -3.7441 | |
| 199 | E | A | -2.8086 | |
| 200 | L | A | -2.0750 | |
| 201 | E | A | -2.5252 | |
| 202 | P | A | -2.5777 | |
| 203 | E | A | -3.0667 | |
| 204 | K | A | -3.6705 | |
| 205 | N | A | -2.5728 | |
| 206 | N | A | -1.6025 | |
| 207 | V | A | 0.0000 | |
| 208 | P | A | 0.0000 | |
| 209 | E | A | -2.2415 | |
| 210 | I | A | 0.0000 | |
| 211 | I | A | 0.0000 | |
| 212 | L | A | -2.4882 | |
| 213 | D | A | -3.0171 | |
| 214 | T | A | -1.7981 | |
| 215 | T | A | -1.4129 | |
| 216 | C | A | 0.0000 | |
| 217 | I | A | 0.0000 | |
| 218 | E | A | -1.2231 | |
| 219 | F | A | 0.0000 | |
| 220 | A | A | 0.0000 | |
| 221 | Y | A | -1.0668 | |
| 222 | D | A | -1.8564 | |
| 223 | L | A | -0.5097 | |
| 224 | M | A | 0.0000 | |
| 225 | K | A | -2.3751 | |
| 226 | A | A | -1.5188 | |
| 227 | E | A | -1.7682 | |
| 228 | K | A | -2.0178 | |
| 229 | Y | A | -1.5106 | |
| 230 | G | A | 0.0000 | |
| 231 | W | A | -0.7528 | |
| 232 | R | A | -0.4254 | |
| 233 | M | A | 0.0000 | |
| 234 | F | A | 0.0000 | |
| 235 | T | A | -0.8716 | |
| 236 | Y | A | -0.4495 | |
| 237 | N | A | -1.0417 | |
| 238 | E | A | -1.6417 | |
| 239 | K | A | -1.9812 | |
| 240 | E | A | -1.8686 | |
| 241 | S | A | -0.9582 | |
| 242 | S | A | -0.4192 | |
| 243 | Y | A | 0.0807 | |
| 244 | E | A | -1.0657 | |
| 245 | S | A | -1.0324 | |
| 246 | H | A | -1.5437 | |
| 247 | K | A | -1.6464 | |
| 248 | F | A | 0.0000 | |
| 249 | V | A | 0.0000 | |
| 250 | R | A | -0.5651 | |
| 251 | D | A | -1.4816 | |
| 252 | G | A | -0.7435 | |
| 253 | P | A | -0.3183 | |
| 254 | D | A | 0.0000 | |
| 255 | L | A | 0.6433 | |
| 256 | H | A | -0.5480 | |
| 257 | P | A | -0.6902 | |
| 258 | L | A | -0.2554 | |
| 259 | P | A | -0.9691 | |
| 260 | D | A | -1.8709 | |
| 261 | R | A | -1.6199 | |
| 262 | N | A | -1.9930 | |
| 263 | P | A | -2.4346 | |
| 264 | P | A | -2.2573 | |
| 265 | S | A | -1.5996 | |
| 266 | K | A | -1.3530 | |
| 267 | L | A | 0.3652 | |
| 268 | Y | A | -1.1196 | |
| 269 | K | A | -2.7809 | |
| 270 | K | A | -2.9137 | |
| 271 | P | A | -1.5492 | |
| 272 | P | A | -1.4400 | |
| 273 | P | A | -1.5754 | |
| 274 | D | A | -2.1484 | |
| 275 | S | A | -1.2048 | |
| 276 | P | A | -0.9276 | |
| 277 | D | A | -0.7421 | |
| 278 | F | A | 1.1622 | |
| 279 | I | A | 1.8068 | |
| 280 | L | A | 0.9049 | |
| 281 | P | A | 0.2477 | |
| 282 | S | A | 0.0000 | |
| 283 | Y | A | 0.4443 | |
| 284 | N | A | 0.1846 | |
| 285 | Y | A | 0.9890 | |
| 286 | F | A | 0.2739 | |
| 287 | T | A | -0.4971 | |
| 288 | I | A | 0.0000 | |
| 289 | P | A | 0.0000 | |
| 290 | D | A | -0.8193 | |
| 291 | E | A | 0.0000 | |
| 292 | G | A | -0.9670 | |
| 293 | E | A | -1.6851 | |
| 294 | I | A | -1.3429 | |
| 295 | T | A | -1.9610 | |
| 296 | E | A | -2.8044 | |
| 297 | E | A | -3.0258 | |
| 298 | D | A | -2.4769 | |
| 299 | L | A | 0.0000 | |
| 300 | L | A | -1.2917 | |
| 301 | F | A | 0.0000 | |
| 302 | N | A | -1.2435 | |
| 303 | K | A | -1.5394 | |
| 304 | P | A | -0.7270 | |
| 305 | I | A | -0.1957 | |
| 306 | F | A | -0.5632 | |
| 307 | L | A | 0.0000 | |
| 308 | E | A | -2.5990 | |
| 309 | K | A | -3.3548 | |
| 310 | T | A | 0.0000 | |
| 311 | E | A | -2.7519 | |
| 312 | G | A | -2.3466 | |
| 313 | K | A | -2.7111 | |
| 314 | N | A | 0.0000 | |
| 315 | N | A | -1.9296 | |
| 316 | G | A | 0.0000 | |
| 317 | V | A | 0.0000 | |
| 318 | C | A | 0.0000 | |
| 319 | W | A | 0.0000 | |
| 320 | H | A | -0.5515 | |
| 321 | N | A | -0.6033 | |
| 322 | Q | A | -0.6700 | |
| 323 | L | A | 0.0000 | |
| 324 | Y | A | 0.0000 | |
| 325 | I | A | 0.0000 | |
| 326 | T | A | 0.0000 | |
| 327 | V | A | 0.0000 | |
| 328 | V | A | 0.0000 | |
| 329 | D | A | 0.0000 | |
| 330 | N | A | 0.0000 | |
| 331 | T | A | 0.0000 | |
| 332 | R | A | 0.0000 | |
| 333 | A | A | 0.0000 | |
| 334 | E | A | -1.8084 | |
| 335 | I | A | -1.3017 | |
| 336 | K | A | -2.3315 | |
| 337 | E | A | -2.4127 | |
| 338 | I | A | -0.7519 | |
| 339 | R | A | -1.7430 | |
| 340 | T | A | -1.2262 | |
| 341 | R | A | -1.8676 | |
| 342 | T | A | -0.8869 | |
| 343 | S | A | -0.5315 | |
| 344 | T | A | -0.2252 | |
| 345 | P | A | -0.1374 | |
| 346 | I | A | 0.6636 | |
| 347 | P | A | 0.2200 | |
| 348 | D | A | -0.5220 | |
| 349 | V | A | 1.3871 | |
| 350 | Y | A | 0.9268 | |
| 351 | D | A | -1.0509 | |
| 352 | E | A | -1.7938 | |
| 353 | S | A | -1.1132 | |
| 354 | N | A | -1.0807 | |
| 355 | Y | A | -0.7403 | |
| 356 | V | A | 0.6246 | |
| 357 | T | A | -0.1745 | |
| 358 | S | A | -0.4640 | |
| 359 | L | A | -0.7720 | |
| 360 | E | A | -1.4549 | |
| 361 | H | A | 0.0000 | |
| 362 | E | A | -2.0424 | |
| 363 | I | A | 0.0000 | |
| 364 | E | A | -1.3949 | |
| 365 | Y | A | 0.0000 | |
| 366 | R | A | -1.3554 | |
| 367 | L | A | 0.0000 | |
| 368 | E | A | 0.0000 | |
| 369 | F | A | 0.0000 | |
| 370 | I | A | 0.0000 | |
| 371 | L | A | 0.0000 | |
| 372 | Q | A | 0.0000 | |
| 373 | L | A | 0.0000 | |
| 374 | C | A | 0.0000 | |
| 375 | R | A | -1.0391 | |
| 376 | I | A | 0.0000 | |
| 377 | P | A | -0.6499 | |
| 378 | L | A | -0.3238 | |
| 379 | T | A | -0.9118 | |
| 380 | P | A | -1.4979 | |
| 381 | E | A | -2.6318 | |
| 382 | T | A | 0.0000 | |
| 383 | L | A | -1.8320 | |
| 384 | E | A | -3.1918 | |
| 385 | E | A | 0.0000 | |
| 386 | L | A | 0.0000 | |
| 387 | E | A | -3.0701 | |
| 388 | R | A | -2.1544 | |
| 389 | L | A | 0.0000 | |
| 390 | D | A | -1.1755 | |
| 391 | P | A | -1.5450 | |
| 392 | S | A | -0.7560 | |
| 393 | I | A | 0.0000 | |
| 394 | L | A | 0.0000 | |
| 395 | V | A | -0.7085 | |
| 396 | D | A | -1.4253 | |
| 397 | A | A | -1.2606 | |
| 398 | E | A | -1.5554 | |
| 399 | L | A | 0.0000 | |
| 400 | P | A | 0.2663 | |
| 401 | F | A | 1.6340 | |
| 402 | I | A | 0.8224 | |
| 403 | P | A | 0.2249 | |
| 404 | P | A | -0.1939 | |
| 405 | V | A | 0.2583 | |
| 406 | E | A | -1.6322 | |
| 407 | R | A | -1.7052 | |
| 408 | P | A | -1.4289 | |
| 409 | D | A | -1.6022 | |
| 410 | P | A | -0.8373 | |
| 411 | Y | A | -0.4946 | |
| 412 | A | A | -0.6642 | |
| 413 | G | A | -0.6869 | |
| 414 | L | A | -0.5934 | |
| 415 | K | A | -2.0645 | |
| 416 | F | A | -1.7321 | |
| 417 | R | A | -2.4431 | |
| 418 | E | A | -2.9088 | |
| 419 | I | A | -2.0847 | |
| 420 | D | A | -2.6110 | |
| 421 | L | A | 0.0000 | |
| 422 | T | A | -1.3721 | |
| 423 | N | A | -1.8467 | |
| 424 | K | A | -1.7759 | |
| 425 | L | A | -0.6681 | |
| 426 | S | A | -0.8461 | |
| 427 | T | A | -0.7627 | |
| 428 | N | A | -1.9146 | |
| 429 | L | A | 0.0000 | |
| 430 | E | A | -3.1837 | |
| 431 | E | A | -3.2350 | |
| 432 | T | A | -2.1038 | |
| 433 | P | A | -1.4364 | |
| 434 | L | A | 0.0000 | |
| 435 | G | A | 0.0000 | |
| 436 | R | A | -2.5002 | |
| 437 | A | A | -1.2724 | |
| 438 | F | A | -0.7432 | |
| 439 | L | A | -0.5946 | |
| 440 | N | A | -1.8215 | |
| 441 | R | A | -2.1055 |
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