| Chain sequence(s) |
A: GPLPLNPEPEIKSTDEYVTPTDLLYIAETDLLTEEGHPTKDIVVDGKVLVPQVSAYQYLVFKLTLPDPNTLPLPSEDFVDPSTEILIWRLLAFKIHKFGPLGKGSYGLANFNRLGDVTNPTAYQHETADVTQNYSFYPKLKQEYIIGDEPPLGKYITKAPPAPGLPPGARPPLVEKTTIIQHGDMADIGFGARDFAALDPTKDNVPDIIRDTTTKVVDYDGMKAEPYGTRMFTYDKYEKSKDSKKFRRAGPDLEPLPDAPPPSPLYVKPPPTSPFAVPPSTNLFTLPDYGEIKESDLLFNRPIILEKTPGKNNGILWHNRLYVTVVDNSRAEIETIKTRISTPENDVYDPSNYVTSKRYKREYKLSLIIQLCKIPLTPETLEYISRLDPSILVDADLPDIPPVLRPDPYAGLKFIEIDLRNKLSRDLSKSELGRWYLNR
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. (00:00:05)
|
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 | -0.2209 | |
| 2 | P | A | 0.4564 | |
| 3 | L | A | 1.3763 | |
| 4 | P | A | 0.4420 | |
| 5 | L | A | 0.9138 | |
| 6 | N | A | -1.0536 | |
| 7 | P | A | -1.6399 | |
| 8 | E | A | -2.6553 | |
| 9 | P | A | -2.3447 | |
| 10 | E | A | -2.3396 | |
| 11 | I | A | -1.0660 | |
| 12 | K | A | -1.7769 | |
| 13 | S | A | -1.9443 | |
| 14 | T | A | 0.0000 | |
| 15 | D | A | -3.1357 | |
| 16 | E | A | -2.9567 | |
| 17 | Y | A | 0.0000 | |
| 18 | V | A | 0.0000 | |
| 19 | T | A | -0.9647 | |
| 20 | P | A | -0.9839 | |
| 21 | T | A | -0.9958 | |
| 22 | D | A | -1.7900 | |
| 23 | L | A | 0.0000 | |
| 24 | L | A | -0.8654 | |
| 25 | Y | A | 0.0000 | |
| 26 | I | A | 0.0000 | |
| 27 | A | A | 0.0000 | |
| 28 | E | A | -1.0046 | |
| 29 | T | A | 0.0000 | |
| 30 | D | A | -1.3101 | |
| 31 | L | A | 0.4171 | |
| 32 | L | A | 0.2320 | |
| 33 | T | A | -0.5187 | |
| 34 | E | A | -1.3624 | |
| 35 | E | A | -2.1604 | |
| 36 | G | A | 0.0000 | |
| 37 | H | A | -1.6857 | |
| 38 | P | A | 0.0000 | |
| 39 | T | A | -1.6255 | |
| 40 | K | A | -2.2279 | |
| 41 | D | A | -0.7162 | |
| 42 | I | A | 1.3160 | |
| 43 | V | A | 2.2019 | |
| 44 | V | A | 1.4505 | |
| 45 | D | A | -1.0297 | |
| 46 | G | A | -0.5954 | |
| 47 | K | A | -0.2250 | |
| 48 | V | A | 2.0026 | |
| 49 | L | A | 2.4862 | |
| 50 | V | A | 0.9648 | |
| 51 | P | A | -0.3024 | |
| 52 | Q | A | -1.2723 | |
| 53 | V | A | 0.0000 | |
| 54 | S | A | 0.0000 | |
| 55 | A | A | 0.0000 | |
| 56 | Y | A | 0.0000 | |
| 57 | Q | A | 0.0000 | |
| 58 | Y | A | 0.0000 | |
| 59 | L | A | 0.0000 | |
| 60 | V | A | 0.0000 | |
| 61 | F | A | 0.0000 | |
| 62 | K | A | 0.0000 | |
| 63 | L | A | 0.0000 | |
| 64 | T | A | -1.4721 | |
| 65 | L | A | 0.0000 | |
| 66 | P | A | 0.0000 | |
| 67 | D | A | -1.2995 | |
| 68 | P | A | 0.0000 | |
| 69 | N | A | -1.1684 | |
| 70 | T | A | -0.4150 | |
| 71 | L | A | -0.0967 | |
| 72 | P | A | -0.2614 | |
| 73 | L | A | -0.3547 | |
| 74 | P | A | -0.6649 | |
| 75 | S | A | -1.5156 | |
| 76 | E | A | -2.8241 | |
| 77 | D | A | -2.8571 | |
| 78 | F | A | -1.5144 | |
| 79 | V | A | 0.0000 | |
| 80 | D | A | -2.2153 | |
| 81 | P | A | -1.3412 | |
| 82 | S | A | -0.8724 | |
| 83 | T | A | -0.8404 | |
| 84 | E | A | -1.0915 | |
| 85 | I | A | 0.0000 | |
| 86 | L | A | 0.0000 | |
| 87 | I | A | 0.0000 | |
| 88 | W | A | 0.0000 | |
| 89 | R | A | -0.3306 | |
| 90 | L | A | 0.0000 | |
| 91 | L | A | 0.0000 | |
| 92 | A | A | 0.0000 | |
| 93 | F | A | 0.0000 | |
| 94 | K | A | 0.0000 | |
| 95 | I | A | 0.0000 | |
| 96 | H | A | -0.3666 | |
| 97 | K | A | 0.0000 | |
| 98 | F | A | 0.4886 | |
| 99 | G | A | -0.4063 | |
| 100 | P | A | -0.2745 | |
| 101 | L | A | -0.2286 | |
| 102 | G | A | -0.9198 | |
| 103 | K | A | -1.1245 | |
| 104 | G | A | 0.0000 | |
| 105 | S | A | -0.3170 | |
| 106 | Y | A | 0.0000 | |
| 107 | G | A | -0.6959 | |
| 108 | L | A | 0.0000 | |
| 109 | A | A | -1.5910 | |
| 110 | N | A | -2.5602 | |
| 111 | F | A | 0.0000 | |
| 112 | N | A | -1.5575 | |
| 113 | R | A | -1.3101 | |
| 114 | L | A | -1.0116 | |
| 115 | G | A | 0.0000 | |
| 116 | D | A | -1.0010 | |
| 117 | V | A | -0.3598 | |
| 118 | T | A | -1.0778 | |
| 119 | N | A | -1.6088 | |
| 120 | P | A | -0.7660 | |
| 121 | T | A | -0.4638 | |
| 122 | A | A | -0.1842 | |
| 123 | Y | A | 0.2162 | |
| 124 | Q | A | -1.0074 | |
| 125 | H | A | -1.8456 | |
| 126 | E | A | -2.4989 | |
| 127 | T | A | -1.6584 | |
| 128 | A | A | -1.2701 | |
| 129 | D | A | -2.2930 | |
| 130 | V | A | -1.7761 | |
| 131 | T | A | -1.8165 | |
| 132 | Q | A | -2.2437 | |
| 133 | N | A | -2.1055 | |
| 134 | Y | A | -1.0319 | |
| 135 | S | A | -0.4586 | |
| 136 | F | A | 0.0000 | |
| 137 | Y | A | 0.2632 | |
| 138 | P | A | 0.0000 | |
| 139 | K | A | 0.0000 | |
| 140 | L | A | 0.0000 | |
| 141 | K | A | 0.0000 | |
| 142 | Q | A | 0.0000 | |
| 143 | E | A | 0.0000 | |
| 144 | Y | A | 0.0000 | |
| 145 | I | A | 0.0000 | |
| 146 | I | A | 0.0000 | |
| 147 | G | A | 0.0000 | |
| 148 | D | A | 0.0000 | |
| 149 | E | A | -0.6060 | |
| 150 | P | A | 0.0000 | |
| 151 | P | A | 0.0000 | |
| 152 | L | A | 0.0899 | |
| 153 | G | A | 0.0000 | |
| 154 | K | A | -0.9791 | |
| 155 | Y | A | -0.8741 | |
| 156 | I | A | -0.5080 | |
| 157 | T | A | 0.0000 | |
| 158 | K | A | -1.0562 | |
| 159 | A | A | -0.4268 | |
| 160 | P | A | -0.4341 | |
| 161 | P | A | -0.4136 | |
| 162 | A | A | -0.1835 | |
| 163 | P | A | -0.3370 | |
| 164 | G | A | -0.2701 | |
| 165 | L | A | 0.0424 | |
| 166 | P | A | -0.4234 | |
| 167 | P | A | -0.6850 | |
| 168 | G | A | -0.7002 | |
| 169 | A | A | -0.7973 | |
| 170 | R | A | -1.6430 | |
| 171 | P | A | -0.9734 | |
| 172 | P | A | -0.2789 | |
| 173 | L | A | 0.1412 | |
| 174 | V | A | -0.0781 | |
| 175 | E | A | -1.8380 | |
| 176 | K | A | -1.8223 | |
| 177 | T | A | -0.9340 | |
| 178 | T | A | -0.2234 | |
| 179 | I | A | 0.0476 | |
| 180 | I | A | 0.0000 | |
| 181 | Q | A | -0.7321 | |
| 182 | H | A | -0.7893 | |
| 183 | G | A | -0.6993 | |
| 184 | D | A | -0.6624 | |
| 185 | M | A | 0.0000 | |
| 186 | A | A | 0.0000 | |
| 187 | D | A | 0.0000 | |
| 188 | I | A | 0.0000 | |
| 189 | G | A | -0.3925 | |
| 190 | F | A | -0.1722 | |
| 191 | G | A | -0.2112 | |
| 192 | A | A | -0.5166 | |
| 193 | R | A | -1.2083 | |
| 194 | D | A | -1.2266 | |
| 195 | F | A | 0.0000 | |
| 196 | A | A | -1.1787 | |
| 197 | A | A | -0.6698 | |
| 198 | L | A | -0.6025 | |
| 199 | D | A | 0.0000 | |
| 200 | P | A | -0.8331 | |
| 201 | T | A | -0.7708 | |
| 202 | K | A | -1.9409 | |
| 203 | D | A | -1.6403 | |
| 204 | N | A | -1.1808 | |
| 205 | V | A | 0.0000 | |
| 206 | P | A | 0.0000 | |
| 207 | D | A | -2.0609 | |
| 208 | I | A | 0.0000 | |
| 209 | I | A | 0.0000 | |
| 210 | R | A | -2.1360 | |
| 211 | D | A | -2.5476 | |
| 212 | T | A | -1.3993 | |
| 213 | T | A | -0.8045 | |
| 214 | T | A | 0.0000 | |
| 215 | K | A | 0.0000 | |
| 216 | V | A | 0.1053 | |
| 217 | V | A | 0.0000 | |
| 218 | D | A | -0.9094 | |
| 219 | Y | A | -1.3706 | |
| 220 | D | A | -2.5003 | |
| 221 | G | A | -1.7078 | |
| 222 | M | A | 0.0000 | |
| 223 | K | A | -2.5655 | |
| 224 | A | A | -1.5172 | |
| 225 | E | A | -1.3717 | |
| 226 | P | A | -0.8862 | |
| 227 | Y | A | -0.5450 | |
| 228 | G | A | 0.0000 | |
| 229 | T | A | -0.6147 | |
| 230 | R | A | -0.6364 | |
| 231 | M | A | 0.0000 | |
| 232 | F | A | 0.0000 | |
| 233 | T | A | -0.2535 | |
| 234 | Y | A | -0.3689 | |
| 235 | D | A | -1.2083 | |
| 236 | K | A | -1.5802 | |
| 237 | Y | A | -1.0475 | |
| 238 | E | A | -1.5677 | |
| 239 | K | A | -1.8301 | |
| 240 | S | A | -1.9831 | |
| 241 | K | A | -2.8437 | |
| 242 | D | A | -3.0912 | |
| 243 | S | A | -2.1235 | |
| 244 | K | A | -2.4410 | |
| 245 | K | A | -1.6034 | |
| 246 | F | A | 0.0000 | |
| 247 | R | A | -0.2099 | |
| 248 | R | A | -0.6434 | |
| 249 | A | A | -1.1375 | |
| 250 | G | A | -0.5944 | |
| 251 | P | A | -0.5747 | |
| 252 | D | A | -0.5971 | |
| 253 | L | A | -0.0216 | |
| 254 | E | A | -1.2219 | |
| 255 | P | A | -0.9627 | |
| 256 | L | A | 0.0664 | |
| 257 | P | A | -0.8183 | |
| 258 | D | A | -1.7351 | |
| 259 | A | A | -0.7029 | |
| 260 | P | A | -0.8455 | |
| 261 | P | A | -0.4180 | |
| 262 | P | A | -0.0801 | |
| 263 | S | A | 0.1130 | |
| 264 | P | A | 0.6753 | |
| 265 | L | A | 1.6281 | |
| 266 | Y | A | 1.3489 | |
| 267 | V | A | 1.4841 | |
| 268 | K | A | 0.1044 | |
| 269 | P | A | 0.4232 | |
| 270 | P | A | -0.0166 | |
| 271 | P | A | -0.0775 | |
| 272 | T | A | -0.0558 | |
| 273 | S | A | 0.5033 | |
| 274 | P | A | 0.8399 | |
| 275 | F | A | 2.1717 | |
| 276 | A | A | 1.2623 | |
| 277 | V | A | 2.0343 | |
| 278 | P | A | 1.1000 | |
| 279 | P | A | 0.0626 | |
| 280 | S | A | -0.2222 | |
| 281 | T | A | -0.2403 | |
| 282 | N | A | -0.1529 | |
| 283 | L | A | 0.9589 | |
| 284 | F | A | 0.0000 | |
| 285 | T | A | -0.9933 | |
| 286 | L | A | 0.0000 | |
| 287 | P | A | 0.0000 | |
| 288 | D | A | -1.6753 | |
| 289 | Y | A | 0.0000 | |
| 290 | G | A | 0.0000 | |
| 291 | E | A | -2.3008 | |
| 292 | I | A | -1.9894 | |
| 293 | K | A | -2.9539 | |
| 294 | E | A | -2.6488 | |
| 295 | S | A | -1.6961 | |
| 296 | D | A | -1.7470 | |
| 297 | L | A | 0.0000 | |
| 298 | L | A | -0.8724 | |
| 299 | F | A | 0.0000 | |
| 300 | N | A | -1.2363 | |
| 301 | R | A | -1.8348 | |
| 302 | P | A | -0.8077 | |
| 303 | I | A | -0.0257 | |
| 304 | I | A | -0.0067 | |
| 305 | L | A | 0.0000 | |
| 306 | E | A | -2.4728 | |
| 307 | K | A | -2.9153 | |
| 308 | T | A | 0.0000 | |
| 309 | P | A | -1.1804 | |
| 310 | G | A | -1.2691 | |
| 311 | K | A | -1.7821 | |
| 312 | N | A | 0.0000 | |
| 313 | N | A | 0.0000 | |
| 314 | G | A | 0.0000 | |
| 315 | I | A | 0.0000 | |
| 316 | L | A | 0.0000 | |
| 317 | W | A | 0.0000 | |
| 318 | H | A | -0.7572 | |
| 319 | N | A | -1.0004 | |
| 320 | R | A | -0.8676 | |
| 321 | L | A | 0.0000 | |
| 322 | Y | A | 0.0000 | |
| 323 | V | A | 0.0000 | |
| 324 | T | A | 0.0000 | |
| 325 | V | A | 0.0000 | |
| 326 | V | A | 0.0000 | |
| 327 | D | A | 0.0000 | |
| 328 | N | A | 0.0000 | |
| 329 | S | A | 0.0000 | |
| 330 | R | A | -0.5812 | |
| 331 | A | A | 0.0000 | |
| 332 | E | A | -2.3157 | |
| 333 | I | A | -1.5774 | |
| 334 | E | A | -1.6417 | |
| 335 | T | A | -0.6868 | |
| 336 | I | A | 0.7615 | |
| 337 | K | A | -0.7620 | |
| 338 | T | A | -0.3021 | |
| 339 | R | A | -0.9780 | |
| 340 | I | A | 1.2046 | |
| 341 | S | A | 0.1804 | |
| 342 | T | A | -0.9138 | |
| 343 | P | A | -1.4504 | |
| 344 | E | A | -2.5753 | |
| 345 | N | A | -2.3060 | |
| 346 | D | A | -1.7272 | |
| 347 | V | A | 0.5565 | |
| 348 | Y | A | 1.0598 | |
| 349 | D | A | -0.3028 | |
| 350 | P | A | -0.3611 | |
| 351 | S | A | -0.0848 | |
| 352 | N | A | -0.0861 | |
| 353 | Y | A | 0.3921 | |
| 354 | V | A | 1.2591 | |
| 355 | T | A | -0.0198 | |
| 356 | S | A | -0.3719 | |
| 357 | K | A | -1.4720 | |
| 358 | R | A | -1.7951 | |
| 359 | Y | A | 0.0000 | |
| 360 | K | A | -2.1271 | |
| 361 | R | A | 0.0000 | |
| 362 | E | A | -0.2827 | |
| 363 | Y | A | 0.0000 | |
| 364 | K | A | -0.4420 | |
| 365 | L | A | 0.0000 | |
| 366 | S | A | 0.0000 | |
| 367 | L | A | 0.0000 | |
| 368 | I | A | 0.0000 | |
| 369 | I | A | 0.0000 | |
| 370 | Q | A | -0.4926 | |
| 371 | L | A | 0.0000 | |
| 372 | C | A | 0.0000 | |
| 373 | K | A | -0.5836 | |
| 374 | I | A | 0.0000 | |
| 375 | P | A | -0.6347 | |
| 376 | L | A | -0.6784 | |
| 377 | T | A | -0.9053 | |
| 378 | P | A | -1.4845 | |
| 379 | E | A | -2.4255 | |
| 380 | T | A | 0.0000 | |
| 381 | L | A | -1.3130 | |
| 382 | E | A | -2.6226 | |
| 383 | Y | A | 0.0000 | |
| 384 | I | A | 0.0000 | |
| 385 | S | A | -1.5264 | |
| 386 | R | A | -1.7868 | |
| 387 | L | A | -0.7904 | |
| 388 | D | A | -0.8370 | |
| 389 | P | A | -0.9885 | |
| 390 | S | A | -0.3777 | |
| 391 | I | A | 0.0000 | |
| 392 | L | A | 0.0000 | |
| 393 | V | A | -0.5125 | |
| 394 | D | A | -1.3610 | |
| 395 | A | A | -1.4266 | |
| 396 | D | A | -2.2697 | |
| 397 | L | A | -1.4153 | |
| 398 | P | A | -1.3940 | |
| 399 | D | A | -1.9524 | |
| 400 | I | A | -0.7539 | |
| 401 | P | A | -0.1759 | |
| 402 | P | A | 0.2603 | |
| 403 | V | A | 2.1378 | |
| 404 | L | A | 1.8978 | |
| 405 | R | A | 0.2093 | |
| 406 | P | A | -0.2893 | |
| 407 | D | A | -0.7250 | |
| 408 | P | A | -0.6046 | |
| 409 | Y | A | -0.4109 | |
| 410 | A | A | -0.5384 | |
| 411 | G | A | -0.6716 | |
| 412 | L | A | -0.6383 | |
| 413 | K | A | -1.8330 | |
| 414 | F | A | -1.1163 | |
| 415 | I | A | -1.0614 | |
| 416 | E | A | -2.0654 | |
| 417 | I | A | -1.6488 | |
| 418 | D | A | -2.4153 | |
| 419 | L | A | 0.0000 | |
| 420 | R | A | -3.0297 | |
| 421 | N | A | -2.6251 | |
| 422 | K | A | -2.1904 | |
| 423 | L | A | -1.4173 | |
| 424 | S | A | -1.6968 | |
| 425 | R | A | -2.3621 | |
| 426 | D | A | -2.3021 | |
| 427 | L | A | 0.0000 | |
| 428 | S | A | -2.0716 | |
| 429 | K | A | -2.8699 | |
| 430 | S | A | 0.0000 | |
| 431 | E | A | -2.4495 | |
| 432 | L | A | 0.0000 | |
| 433 | G | A | 0.0000 | |
| 434 | R | A | -2.1794 | |
| 435 | W | A | -0.9809 | |
| 436 | Y | A | -0.3430 | |
| 437 | L | A | 0.0953 | |
| 438 | N | A | -1.5973 | |
| 439 | R | A | -1.9854 |
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