| Chain sequence(s) |
A: GPLPLNPEPEVRSTDEYVTPTDLLYVAETDLLTETGNPTSDIVVNGEVVTPKVSATDFKVFLLKLPDPNKLPLPSPDFLDRSTEIAIWRLRALKIHRFGPLGKGTYGHSNFNALGDVDNPTSYQHPTADNTQNLSYRPIRRQLYIVGDEPPIGKYVAKAAPEPGLPPGARPPLKTVYDYIEHGDRADIGFGAKDFKELMPEKNNVPDDILDTKTKVIDYDYMKAEPYGRRMFDYDEYRSSKNSKNYVLNGPDLIPLPDSPPPSKYYTKPPPTSPYAVLPPYNYFTLPDEGEITEADLLFNKPRIFEKTPGKNNGVLWGNKLYVTILDNTRAEIASNTTKVSTPAPNVYNPADYVTSKTYTREYKLSLIVQLCKIPLTPETLAYLARLDPRILVEAELPFVPPVERPDKYAGKKFREIDLTDKLSSDLEKTPLGQWYLNR
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 | G | A | -0.1762 | |
| 2 | P | A | 0.4303 | |
| 3 | L | A | 1.3633 | |
| 4 | P | A | 0.6945 | |
| 5 | L | A | 0.7878 | |
| 6 | N | A | -1.0305 | |
| 7 | P | A | -1.7463 | |
| 8 | E | A | -2.5422 | |
| 9 | P | A | -2.3242 | |
| 10 | E | A | -2.4666 | |
| 11 | V | A | -1.3968 | |
| 12 | R | A | -1.9967 | |
| 13 | S | A | -2.0387 | |
| 14 | T | A | 0.0000 | |
| 15 | D | A | -2.8629 | |
| 16 | E | A | -2.8440 | |
| 17 | Y | A | 0.0000 | |
| 18 | V | A | 0.0000 | |
| 19 | T | A | -0.8942 | |
| 20 | P | A | -0.8843 | |
| 21 | T | A | -0.8719 | |
| 22 | D | A | -1.5822 | |
| 23 | L | A | -0.4506 | |
| 24 | L | A | -0.1085 | |
| 25 | Y | A | -0.1600 | |
| 26 | V | A | 0.0000 | |
| 27 | A | A | 0.0000 | |
| 28 | E | A | -1.0080 | |
| 29 | T | A | 0.0000 | |
| 30 | D | A | -1.3207 | |
| 31 | L | A | 0.2091 | |
| 32 | L | A | 0.0000 | |
| 33 | T | A | -0.2153 | |
| 34 | E | A | -0.3898 | |
| 35 | T | A | -0.4072 | |
| 36 | G | A | 0.0000 | |
| 37 | N | A | -0.9014 | |
| 38 | P | A | 0.0000 | |
| 39 | T | A | -0.7498 | |
| 40 | S | A | -0.4537 | |
| 41 | D | A | -0.0512 | |
| 42 | I | A | 1.8620 | |
| 43 | V | A | 2.5518 | |
| 44 | V | A | 1.7332 | |
| 45 | N | A | -0.5204 | |
| 46 | G | A | -0.3300 | |
| 47 | E | A | -0.1426 | |
| 48 | V | A | 2.2002 | |
| 49 | V | A | 2.6366 | |
| 50 | T | A | 1.3572 | |
| 51 | P | A | 0.2096 | |
| 52 | K | A | -0.5251 | |
| 53 | V | A | 0.0000 | |
| 54 | S | A | 0.0000 | |
| 55 | A | A | 0.0000 | |
| 56 | T | A | 0.0000 | |
| 57 | D | A | 0.0000 | |
| 58 | F | A | 0.0000 | |
| 59 | K | A | 0.0000 | |
| 60 | V | A | 0.0000 | |
| 61 | F | A | 0.0000 | |
| 62 | L | A | 0.0000 | |
| 63 | L | A | 0.0000 | |
| 64 | K | A | -2.0509 | |
| 65 | L | A | 0.0000 | |
| 66 | P | A | 0.0000 | |
| 67 | D | A | -1.2402 | |
| 68 | P | A | 0.0000 | |
| 69 | N | A | -1.5921 | |
| 70 | K | A | -1.7297 | |
| 71 | L | A | -0.6446 | |
| 72 | P | A | -0.4057 | |
| 73 | L | A | -0.3169 | |
| 74 | P | A | -0.3189 | |
| 75 | S | A | -0.7328 | |
| 76 | P | A | -1.2657 | |
| 77 | D | A | -2.3033 | |
| 78 | F | A | -1.3012 | |
| 79 | L | A | 0.0000 | |
| 80 | D | A | -2.9449 | |
| 81 | R | A | -3.0166 | |
| 82 | S | A | -1.7535 | |
| 83 | T | A | -1.4033 | |
| 84 | E | A | -1.6607 | |
| 85 | I | A | 0.0000 | |
| 86 | A | A | 0.0000 | |
| 87 | I | A | 0.0000 | |
| 88 | W | A | 0.0000 | |
| 89 | R | A | 0.0000 | |
| 90 | L | A | 0.0000 | |
| 91 | R | A | -0.5752 | |
| 92 | A | A | 0.0000 | |
| 93 | L | A | 0.0000 | |
| 94 | K | A | -0.8850 | |
| 95 | I | A | 0.0000 | |
| 96 | H | A | -0.4650 | |
| 97 | R | A | 0.0000 | |
| 98 | F | A | 0.4846 | |
| 99 | G | A | -0.3017 | |
| 100 | P | A | -0.3426 | |
| 101 | L | A | -0.1122 | |
| 102 | G | A | -1.2497 | |
| 103 | K | A | -2.1634 | |
| 104 | G | A | 0.0000 | |
| 105 | T | A | -0.8845 | |
| 106 | Y | A | 0.0000 | |
| 107 | G | A | -0.9505 | |
| 108 | H | A | -1.5058 | |
| 109 | S | A | -1.7237 | |
| 110 | N | A | -2.5422 | |
| 111 | F | A | 0.0000 | |
| 112 | N | A | -1.5037 | |
| 113 | A | A | 0.0000 | |
| 114 | L | A | 0.0000 | |
| 115 | G | A | 0.0000 | |
| 116 | D | A | -1.5057 | |
| 117 | V | A | -1.0210 | |
| 118 | D | A | -2.7241 | |
| 119 | N | A | -2.4482 | |
| 120 | P | A | -1.4033 | |
| 121 | T | A | -0.8120 | |
| 122 | S | A | -0.4782 | |
| 123 | Y | A | 0.1310 | |
| 124 | Q | A | -0.7165 | |
| 125 | H | A | -0.5105 | |
| 126 | P | A | -0.8025 | |
| 127 | T | A | -1.0551 | |
| 128 | A | A | -0.9709 | |
| 129 | D | A | -2.1993 | |
| 130 | N | A | -1.6529 | |
| 131 | T | A | -1.7505 | |
| 132 | Q | A | -1.8927 | |
| 133 | N | A | -2.0241 | |
| 134 | L | A | -1.0238 | |
| 135 | S | A | -0.7015 | |
| 136 | Y | A | 0.0000 | |
| 137 | R | A | -1.0422 | |
| 138 | P | A | 0.0000 | |
| 139 | I | A | -0.5867 | |
| 140 | R | A | 0.0000 | |
| 141 | R | A | 0.0000 | |
| 142 | Q | A | 0.0000 | |
| 143 | L | A | 0.0000 | |
| 144 | Y | A | 0.0000 | |
| 145 | I | A | 0.0000 | |
| 146 | V | A | 0.0000 | |
| 147 | G | A | 0.0000 | |
| 148 | D | A | 0.0000 | |
| 149 | E | A | 0.0000 | |
| 150 | P | A | 0.0000 | |
| 151 | P | A | 0.0000 | |
| 152 | I | A | 0.0000 | |
| 153 | G | A | 0.0000 | |
| 154 | K | A | -0.0432 | |
| 155 | Y | A | 0.0000 | |
| 156 | V | A | -0.3911 | |
| 157 | A | A | 0.0000 | |
| 158 | K | A | -1.9392 | |
| 159 | A | A | -0.9869 | |
| 160 | A | A | -0.8836 | |
| 161 | P | A | -1.2030 | |
| 162 | E | A | -1.9664 | |
| 163 | P | A | -1.2013 | |
| 164 | G | A | -0.7220 | |
| 165 | L | A | -0.3948 | |
| 166 | P | A | -0.4200 | |
| 167 | P | A | -0.6809 | |
| 168 | G | A | -0.4865 | |
| 169 | A | A | -0.5277 | |
| 170 | R | A | -1.3984 | |
| 171 | P | A | -1.4765 | |
| 172 | P | A | -1.1420 | |
| 173 | L | A | -0.7217 | |
| 174 | K | A | -1.0829 | |
| 175 | T | A | -0.4193 | |
| 176 | V | A | 0.2279 | |
| 177 | Y | A | 1.0753 | |
| 178 | D | A | 0.2115 | |
| 179 | Y | A | -0.2096 | |
| 180 | I | A | 0.0000 | |
| 181 | E | A | -1.1474 | |
| 182 | H | A | -1.2739 | |
| 183 | G | A | -0.8112 | |
| 184 | D | A | -0.9071 | |
| 185 | R | A | 0.0000 | |
| 186 | A | A | 0.0000 | |
| 187 | D | A | -0.4279 | |
| 188 | I | A | 0.0000 | |
| 189 | G | A | -0.1119 | |
| 190 | F | A | -0.0084 | |
| 191 | G | A | -0.3380 | |
| 192 | A | A | -0.6460 | |
| 193 | K | A | -1.4981 | |
| 194 | D | A | 0.0000 | |
| 195 | F | A | 0.0000 | |
| 196 | K | A | -3.6561 | |
| 197 | E | A | -3.4369 | |
| 198 | L | A | -2.0813 | |
| 199 | M | A | 0.0000 | |
| 200 | P | A | -2.1335 | |
| 201 | E | A | -2.2492 | |
| 202 | K | A | -2.7465 | |
| 203 | N | A | -1.8256 | |
| 204 | N | A | -1.1113 | |
| 205 | V | A | 0.0000 | |
| 206 | P | A | 0.0000 | |
| 207 | D | A | -1.1912 | |
| 208 | D | A | 0.0000 | |
| 209 | I | A | 0.0000 | |
| 210 | L | A | -1.2432 | |
| 211 | D | A | -2.3147 | |
| 212 | T | A | -1.8269 | |
| 213 | K | A | -2.1366 | |
| 214 | T | A | 0.0000 | |
| 215 | K | A | 0.0000 | |
| 216 | V | A | 0.0374 | |
| 217 | I | A | 0.0000 | |
| 218 | D | A | 0.0000 | |
| 219 | Y | A | -0.8445 | |
| 220 | D | A | -1.8810 | |
| 221 | Y | A | -0.4218 | |
| 222 | M | A | 0.0000 | |
| 223 | K | A | -2.1933 | |
| 224 | A | A | -1.1622 | |
| 225 | E | A | -1.1292 | |
| 226 | P | A | -1.0529 | |
| 227 | Y | A | -0.6976 | |
| 228 | G | A | 0.0000 | |
| 229 | R | A | -0.6244 | |
| 230 | R | A | 0.0000 | |
| 231 | M | A | 0.0000 | |
| 232 | F | A | 0.0000 | |
| 233 | D | A | -0.6995 | |
| 234 | Y | A | -0.3865 | |
| 235 | D | A | -0.8614 | |
| 236 | E | A | -0.8727 | |
| 237 | Y | A | -0.7071 | |
| 238 | R | A | -1.4163 | |
| 239 | S | A | -1.2675 | |
| 240 | S | A | -1.7724 | |
| 241 | K | A | -2.5604 | |
| 242 | N | A | -2.3806 | |
| 243 | S | A | -1.9690 | |
| 244 | K | A | -2.3507 | |
| 245 | N | A | -1.4055 | |
| 246 | Y | A | 0.0000 | |
| 247 | V | A | 0.0000 | |
| 248 | L | A | -0.1320 | |
| 249 | N | A | -0.8571 | |
| 250 | G | A | -0.6353 | |
| 251 | P | A | -0.0248 | |
| 252 | D | A | 0.7572 | |
| 253 | L | A | 1.6794 | |
| 254 | I | A | 2.3652 | |
| 255 | P | A | 1.0944 | |
| 256 | L | A | 0.8794 | |
| 257 | P | A | -0.3161 | |
| 258 | D | A | -1.5727 | |
| 259 | S | A | -1.2765 | |
| 260 | P | A | -1.1593 | |
| 261 | P | A | -1.2437 | |
| 262 | P | A | -1.2600 | |
| 263 | S | A | -1.3328 | |
| 264 | K | A | -1.3442 | |
| 265 | Y | A | 0.2792 | |
| 266 | Y | A | -0.2284 | |
| 267 | T | A | -1.0648 | |
| 268 | K | A | -1.3464 | |
| 269 | P | A | -0.5055 | |
| 270 | P | A | -0.5752 | |
| 271 | P | A | -0.3339 | |
| 272 | T | A | -0.2168 | |
| 273 | S | A | 0.0467 | |
| 274 | P | A | 0.4893 | |
| 275 | Y | A | 1.1623 | |
| 276 | A | A | 0.8984 | |
| 277 | V | A | 1.9959 | |
| 278 | L | A | 1.5212 | |
| 279 | P | A | 0.5544 | |
| 280 | P | A | 0.0510 | |
| 281 | Y | A | 0.4430 | |
| 282 | N | A | -0.1197 | |
| 283 | Y | A | 1.0341 | |
| 284 | F | A | 0.5850 | |
| 285 | T | A | -0.4198 | |
| 286 | L | A | 0.0000 | |
| 287 | P | A | 0.0000 | |
| 288 | D | A | 0.0000 | |
| 289 | E | A | 0.0000 | |
| 290 | G | A | -1.7959 | |
| 291 | E | A | -2.1253 | |
| 292 | I | A | -1.1485 | |
| 293 | T | A | -1.3256 | |
| 294 | E | A | -1.7274 | |
| 295 | A | A | -0.9352 | |
| 296 | D | A | -1.1534 | |
| 297 | L | A | -0.6318 | |
| 298 | L | A | -0.6100 | |
| 299 | F | A | 0.0000 | |
| 300 | N | A | -1.1792 | |
| 301 | K | A | -1.4536 | |
| 302 | P | A | -0.7430 | |
| 303 | R | A | -0.5971 | |
| 304 | I | A | -0.3116 | |
| 305 | F | A | 0.0000 | |
| 306 | E | A | -2.5731 | |
| 307 | K | A | -2.9791 | |
| 308 | T | A | -1.7619 | |
| 309 | P | A | -1.2640 | |
| 310 | G | A | -1.5138 | |
| 311 | K | A | -1.9956 | |
| 312 | N | A | 0.0000 | |
| 313 | N | A | 0.0000 | |
| 314 | G | A | 0.0000 | |
| 315 | V | A | 0.0000 | |
| 316 | L | A | 0.0000 | |
| 317 | W | A | 0.0000 | |
| 318 | G | A | -0.8407 | |
| 319 | N | A | -0.9272 | |
| 320 | K | A | -1.2189 | |
| 321 | L | A | 0.0000 | |
| 322 | Y | A | 0.0000 | |
| 323 | V | A | 0.0000 | |
| 324 | T | A | 0.0000 | |
| 325 | I | A | 0.0000 | |
| 326 | L | A | 0.0000 | |
| 327 | D | A | 0.0000 | |
| 328 | N | A | 0.0000 | |
| 329 | T | A | 0.0000 | |
| 330 | R | A | 0.0000 | |
| 331 | A | A | 0.0000 | |
| 332 | E | A | -2.2272 | |
| 333 | I | A | -1.3846 | |
| 334 | A | A | -1.0757 | |
| 335 | S | A | -1.1763 | |
| 336 | N | A | -1.1147 | |
| 337 | T | A | -0.3980 | |
| 338 | T | A | -0.1185 | |
| 339 | K | A | -0.4922 | |
| 340 | V | A | 1.2862 | |
| 341 | S | A | 0.3528 | |
| 342 | T | A | -0.1612 | |
| 343 | P | A | 0.0502 | |
| 344 | A | A | 0.2210 | |
| 345 | P | A | -0.1208 | |
| 346 | N | A | -0.2952 | |
| 347 | V | A | 1.5252 | |
| 348 | Y | A | 1.4361 | |
| 349 | N | A | 0.1232 | |
| 350 | P | A | 0.0608 | |
| 351 | A | A | 0.2569 | |
| 352 | D | A | 0.2402 | |
| 353 | Y | A | 0.7352 | |
| 354 | V | A | 1.5033 | |
| 355 | T | A | -0.1343 | |
| 356 | S | A | -0.8211 | |
| 357 | K | A | -1.7366 | |
| 358 | T | A | -1.1986 | |
| 359 | Y | A | 0.0000 | |
| 360 | T | A | -0.4894 | |
| 361 | R | A | 0.0000 | |
| 362 | E | A | -0.1674 | |
| 363 | Y | A | 0.0000 | |
| 364 | K | A | -0.5852 | |
| 365 | L | A | 0.0000 | |
| 366 | S | A | 0.0000 | |
| 367 | L | A | 0.0000 | |
| 368 | I | A | 0.0000 | |
| 369 | V | A | 0.0000 | |
| 370 | Q | A | -0.2998 | |
| 371 | L | A | 0.0000 | |
| 372 | C | A | 0.0000 | |
| 373 | K | A | -0.5738 | |
| 374 | I | A | 0.0000 | |
| 375 | P | A | -0.8715 | |
| 376 | L | A | -0.7745 | |
| 377 | T | A | -0.7045 | |
| 378 | P | A | -1.0341 | |
| 379 | E | A | -1.8405 | |
| 380 | T | A | 0.0000 | |
| 381 | L | A | -0.4829 | |
| 382 | A | A | -0.7457 | |
| 383 | Y | A | 0.0000 | |
| 384 | L | A | 0.0000 | |
| 385 | A | A | -0.4068 | |
| 386 | R | A | -1.0313 | |
| 387 | L | A | -0.4230 | |
| 388 | D | A | 0.0000 | |
| 389 | P | A | -0.6206 | |
| 390 | R | A | -1.4440 | |
| 391 | I | A | 0.0000 | |
| 392 | L | A | -0.4147 | |
| 393 | V | A | -0.9541 | |
| 394 | E | A | -1.8072 | |
| 395 | A | A | -1.5248 | |
| 396 | E | A | -1.9888 | |
| 397 | L | A | 0.0000 | |
| 398 | P | A | 0.0598 | |
| 399 | F | A | 1.6562 | |
| 400 | V | A | 0.7982 | |
| 401 | P | A | 0.2876 | |
| 402 | P | A | -0.2997 | |
| 403 | V | A | 0.1959 | |
| 404 | E | A | -1.9011 | |
| 405 | R | A | -2.2565 | |
| 406 | P | A | -2.1969 | |
| 407 | D | A | -3.0457 | |
| 408 | K | A | -2.2947 | |
| 409 | Y | A | 0.0000 | |
| 410 | A | A | -1.5950 | |
| 411 | G | A | -1.4680 | |
| 412 | K | A | -1.8980 | |
| 413 | K | A | -2.4566 | |
| 414 | F | A | -1.6586 | |
| 415 | R | A | -1.8500 | |
| 416 | E | A | -2.7954 | |
| 417 | I | A | 0.0000 | |
| 418 | D | A | -3.0763 | |
| 419 | L | A | 0.0000 | |
| 420 | T | A | -2.0322 | |
| 421 | D | A | -2.8122 | |
| 422 | K | A | -2.5437 | |
| 423 | L | A | -1.1150 | |
| 424 | S | A | -1.2557 | |
| 425 | S | A | -0.7617 | |
| 426 | D | A | -1.8852 | |
| 427 | L | A | 0.0000 | |
| 428 | E | A | -3.0268 | |
| 429 | K | A | -3.0819 | |
| 430 | T | A | -1.9174 | |
| 431 | P | A | -1.2451 | |
| 432 | L | A | 0.0000 | |
| 433 | G | A | 0.0000 | |
| 434 | Q | A | -2.0064 | |
| 435 | W | A | -0.7474 | |
| 436 | Y | A | -0.4842 | |
| 437 | L | A | -0.3024 | |
| 438 | N | A | -1.6069 | |
| 439 | R | A | -2.0287 |
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