| Chain sequence(s) |
A: MNNLKKCGIVVVSVLSFISLVKGGGETLVLLDNLAIKETHSMFFKALHDRGFRLTFKTADDPGLTLMKYGEYLYEHLVLFSPSVEEFGGSLNVPAITDFIDAGGNVLVGASSSVGDLIRELSNECGFELDEEGSSVIDHLNYDVEDEGKHTLLVADPSNLIDAPTVVGSRNIPPILFRGVGIISDQENPLVLDVLSASSTAYCYNADNKISEYPHAVGKNVLLISALQARNNARVVFSGSLDFFSDHFFQSGVQKAINGKKYEKSGNEALATALTQWVFKETGVLRAGNITHHIKGQLQAPEAYTILDEVVYSIEVEILKDGKWVEFDATDLQLEFVRIDPFVRTALKKRGKKYVAEFKLPDVYGVYQFKVDYNRMGYTHLYKTTQVSVRPLQHTQYERFIPSAYPYYISAFSMMFGVFIFTFVFLHHRDSAKDKEE
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | No |
| pH calculations | No |
| alphaCutter usage | No |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] runJob: FoldX not utilized. Treating input pdb file as it was already optimized. (00:00:01)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:00:02)
[INFO] Main: Simulation completed successfully. (00:00:06)
|
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan4D score | mutation |
|---|---|---|---|---|
| 1 | M | A | 0.1413 | |
| 2 | N | A | -1.3089 | |
| 3 | N | A | -1.6122 | |
| 4 | L | A | -0.5850 | |
| 5 | K | A | -2.0849 | |
| 6 | K | A | -1.7663 | |
| 7 | C | A | 0.1653 | |
| 8 | G | A | 0.9108 | |
| 9 | I | A | 3.3892 | |
| 10 | V | A | 4.0854 | |
| 11 | V | A | 4.2219 | |
| 12 | V | A | 4.0814 | |
| 13 | S | A | 2.7581 | |
| 14 | V | A | 3.4040 | |
| 15 | L | A | 3.3940 | |
| 16 | S | A | 2.6364 | |
| 17 | F | A | 3.7041 | |
| 18 | I | A | 3.6282 | |
| 19 | S | A | 2.0498 | |
| 20 | L | A | 2.0161 | |
| 21 | V | A | 0.3161 | |
| 22 | K | A | -1.7895 | |
| 23 | G | A | -2.1331 | |
| 24 | G | A | 0.0000 | |
| 25 | G | A | -1.9282 | |
| 26 | E | A | -1.6179 | |
| 27 | T | A | 0.0000 | |
| 28 | L | A | 0.0000 | |
| 29 | V | A | 0.0000 | |
| 30 | L | A | 0.0000 | |
| 31 | L | A | 0.0000 | |
| 32 | D | A | -1.1175 | |
| 33 | N | A | -0.9687 | |
| 34 | L | A | 0.2806 | |
| 35 | A | A | -0.5874 | |
| 36 | I | A | 0.0000 | |
| 37 | K | A | -1.7291 | |
| 38 | E | A | -2.0886 | |
| 39 | T | A | -1.3924 | |
| 40 | H | A | 0.0000 | |
| 41 | S | A | -1.4987 | |
| 42 | M | A | -1.2552 | |
| 43 | F | A | 0.0000 | |
| 44 | F | A | 0.0000 | |
| 45 | K | A | -2.6658 | |
| 46 | A | A | -1.8819 | |
| 47 | L | A | 0.0000 | |
| 48 | H | A | -3.1159 | |
| 49 | D | A | -3.2527 | |
| 50 | R | A | -2.3799 | |
| 51 | G | A | -2.5447 | |
| 52 | F | A | 0.0000 | |
| 53 | R | A | -2.5037 | |
| 54 | L | A | -1.1930 | |
| 55 | T | A | -0.3240 | |
| 56 | F | A | 0.1692 | |
| 57 | K | A | -0.5439 | |
| 58 | T | A | -1.0209 | |
| 59 | A | A | 0.0000 | |
| 60 | D | A | -3.1942 | |
| 61 | D | A | -1.9505 | |
| 62 | P | A | -1.4053 | |
| 63 | G | A | -1.2229 | |
| 64 | L | A | 0.0000 | |
| 65 | T | A | -0.4244 | |
| 66 | L | A | 0.0000 | |
| 67 | M | A | -0.1102 | |
| 68 | K | A | -0.9662 | |
| 69 | Y | A | 0.1259 | |
| 70 | G | A | -0.8234 | |
| 71 | E | A | -1.4969 | |
| 72 | Y | A | -0.4768 | |
| 73 | L | A | 0.0495 | |
| 74 | Y | A | -0.7745 | |
| 75 | E | A | -1.7158 | |
| 76 | H | A | 0.0000 | |
| 77 | L | A | 0.0000 | |
| 78 | V | A | 0.0000 | |
| 79 | L | A | 0.0000 | |
| 80 | F | A | 0.0000 | |
| 81 | S | A | 0.0000 | |
| 82 | P | A | 0.0000 | |
| 83 | S | A | -1.4910 | |
| 84 | V | A | 0.0000 | |
| 85 | E | A | -3.3450 | |
| 86 | E | A | -3.6068 | |
| 87 | F | A | 0.0000 | |
| 88 | G | A | -2.2973 | |
| 89 | G | A | -1.6357 | |
| 90 | S | A | -0.7769 | |
| 91 | L | A | 0.0000 | |
| 92 | N | A | -1.4862 | |
| 93 | V | A | 0.0000 | |
| 94 | P | A | -1.4283 | |
| 95 | A | A | -1.2291 | |
| 96 | I | A | 0.0000 | |
| 97 | T | A | -1.9170 | |
| 98 | D | A | -2.5250 | |
| 99 | F | A | 0.0000 | |
| 100 | I | A | 0.0000 | |
| 101 | D | A | -2.8989 | |
| 102 | A | A | -1.6353 | |
| 103 | G | A | -1.6784 | |
| 104 | G | A | 0.0000 | |
| 105 | N | A | 0.0000 | |
| 106 | V | A | 0.0000 | |
| 107 | L | A | 0.0000 | |
| 108 | V | A | 0.0000 | |
| 109 | G | A | 0.0000 | |
| 110 | A | A | 0.0000 | |
| 111 | S | A | -0.6790 | |
| 112 | S | A | -1.2248 | |
| 113 | S | A | -1.3932 | |
| 114 | V | A | 0.0000 | |
| 115 | G | A | -2.7154 | |
| 116 | D | A | -3.4318 | |
| 117 | L | A | -2.3645 | |
| 118 | I | A | 0.0000 | |
| 119 | R | A | -3.0089 | |
| 120 | E | A | -3.0967 | |
| 121 | L | A | 0.0000 | |
| 122 | S | A | 0.0000 | |
| 123 | N | A | -3.2532 | |
| 124 | E | A | -3.0444 | |
| 125 | C | A | 0.0000 | |
| 126 | G | A | -2.1008 | |
| 127 | F | A | 0.0000 | |
| 128 | E | A | -2.5618 | |
| 129 | L | A | 0.0000 | |
| 130 | D | A | 0.0000 | |
| 131 | E | A | -3.3457 | |
| 132 | E | A | -3.2642 | |
| 133 | G | A | -2.0669 | |
| 134 | S | A | 0.0000 | |
| 135 | S | A | -0.8981 | |
| 136 | V | A | 0.0000 | |
| 137 | I | A | 0.0000 | |
| 138 | D | A | 0.0000 | |
| 139 | H | A | -0.1942 | |
| 140 | L | A | 1.0599 | |
| 141 | N | A | 0.4061 | |
| 142 | Y | A | 0.0951 | |
| 143 | D | A | 0.0000 | |
| 144 | V | A | 0.2245 | |
| 145 | E | A | -1.7431 | |
| 146 | D | A | -1.9831 | |
| 147 | E | A | -2.7638 | |
| 148 | G | A | -2.1799 | |
| 149 | K | A | -2.5022 | |
| 150 | H | A | -1.4253 | |
| 151 | T | A | -1.2075 | |
| 152 | L | A | 0.0000 | |
| 153 | L | A | 0.0000 | |
| 154 | V | A | 0.0000 | |
| 155 | A | A | 0.0000 | |
| 156 | D | A | -0.8534 | |
| 157 | P | A | -0.9160 | |
| 158 | S | A | -1.0197 | |
| 159 | N | A | -1.1304 | |
| 160 | L | A | 0.0000 | |
| 161 | I | A | -0.9261 | |
| 162 | D | A | -1.8913 | |
| 163 | A | A | 0.0000 | |
| 164 | P | A | -0.7921 | |
| 165 | T | A | -0.2846 | |
| 166 | V | A | 0.0000 | |
| 167 | V | A | 0.0000 | |
| 168 | G | A | -0.8999 | |
| 169 | S | A | -1.2510 | |
| 170 | R | A | -1.8348 | |
| 171 | N | A | -1.6327 | |
| 172 | I | A | -0.9280 | |
| 173 | P | A | -0.9588 | |
| 174 | P | A | 0.0000 | |
| 175 | I | A | 0.0000 | |
| 176 | L | A | 0.0000 | |
| 177 | F | A | 0.0000 | |
| 178 | R | A | -0.8074 | |
| 179 | G | A | 0.0000 | |
| 180 | V | A | 0.0000 | |
| 181 | G | A | 0.0000 | |
| 182 | I | A | 0.0000 | |
| 183 | I | A | -1.1518 | |
| 184 | S | A | 0.0000 | |
| 185 | D | A | -2.7182 | |
| 186 | Q | A | -2.6679 | |
| 187 | E | A | -2.9135 | |
| 188 | N | A | -1.8581 | |
| 189 | P | A | -1.0169 | |
| 190 | L | A | -0.4260 | |
| 191 | V | A | -0.4919 | |
| 192 | L | A | -0.0009 | |
| 193 | D | A | -1.0868 | |
| 194 | V | A | 0.0000 | |
| 195 | L | A | 0.0000 | |
| 196 | S | A | -1.1652 | |
| 197 | A | A | 0.0000 | |
| 198 | S | A | -0.7430 | |
| 199 | S | A | -0.7438 | |
| 200 | T | A | -0.1144 | |
| 201 | A | A | 0.0000 | |
| 202 | Y | A | 0.1344 | |
| 203 | C | A | 0.0000 | |
| 204 | Y | A | -0.7297 | |
| 205 | N | A | -1.7417 | |
| 206 | A | A | -1.7394 | |
| 207 | D | A | -2.8354 | |
| 208 | N | A | -2.5723 | |
| 209 | K | A | -2.0509 | |
| 210 | I | A | 0.2471 | |
| 211 | S | A | -0.5061 | |
| 212 | E | A | -0.9395 | |
| 213 | Y | A | 0.8307 | |
| 214 | P | A | 0.5637 | |
| 215 | H | A | -0.4775 | |
| 216 | A | A | 0.0000 | |
| 217 | V | A | 0.2828 | |
| 218 | G | A | 0.0000 | |
| 219 | K | A | -2.1794 | |
| 220 | N | A | -1.9180 | |
| 221 | V | A | 0.0000 | |
| 222 | L | A | 0.0000 | |
| 223 | L | A | 0.0000 | |
| 224 | I | A | 0.0000 | |
| 225 | S | A | 0.0000 | |
| 226 | A | A | 0.0000 | |
| 227 | L | A | 0.0000 | |
| 228 | Q | A | -0.4266 | |
| 229 | A | A | -1.5111 | |
| 230 | R | A | -2.4148 | |
| 231 | N | A | -2.2004 | |
| 232 | N | A | -1.5085 | |
| 233 | A | A | 0.0000 | |
| 234 | R | A | 0.0000 | |
| 235 | V | A | 0.0000 | |
| 236 | V | A | 0.0000 | |
| 237 | F | A | 0.0000 | |
| 238 | S | A | 0.0000 | |
| 239 | G | A | 0.0000 | |
| 240 | S | A | 0.0000 | |
| 241 | L | A | 0.0000 | |
| 242 | D | A | -1.0682 | |
| 243 | F | A | 0.0000 | |
| 244 | F | A | 0.0000 | |
| 245 | S | A | 0.0000 | |
| 246 | D | A | -1.4637 | |
| 247 | H | A | -1.6256 | |
| 248 | F | A | 0.0000 | |
| 249 | F | A | 0.0000 | |
| 250 | Q | A | -2.2212 | |
| 251 | S | A | -1.8293 | |
| 252 | G | A | -2.0391 | |
| 253 | V | A | 0.0000 | |
| 254 | Q | A | -1.7266 | |
| 255 | K | A | -0.5019 | |
| 256 | A | A | 0.2278 | |
| 257 | I | A | 0.8554 | |
| 258 | N | A | -1.2195 | |
| 259 | G | A | -1.5177 | |
| 260 | K | A | -2.7426 | |
| 261 | K | A | -3.0850 | |
| 262 | Y | A | -2.1760 | |
| 263 | E | A | -2.7577 | |
| 264 | K | A | -2.3796 | |
| 265 | S | A | 0.0000 | |
| 266 | G | A | 0.0000 | |
| 267 | N | A | 0.0000 | |
| 268 | E | A | -0.8186 | |
| 269 | A | A | -0.3389 | |
| 270 | L | A | 0.0000 | |
| 271 | A | A | 0.0000 | |
| 272 | T | A | -0.2745 | |
| 273 | A | A | -0.3478 | |
| 274 | L | A | 0.0000 | |
| 275 | T | A | 0.0000 | |
| 276 | Q | A | -0.6491 | |
| 277 | W | A | 0.0000 | |
| 278 | V | A | 0.0000 | |
| 279 | F | A | 0.0000 | |
| 280 | K | A | -0.6913 | |
| 281 | E | A | -1.6598 | |
| 282 | T | A | -1.1057 | |
| 283 | G | A | 0.0000 | |
| 284 | V | A | 0.0000 | |
| 285 | L | A | 0.0000 | |
| 286 | R | A | -1.1994 | |
| 287 | A | A | -0.8716 | |
| 288 | G | A | -1.1970 | |
| 289 | N | A | -1.2678 | |
| 290 | I | A | -0.3618 | |
| 291 | T | A | -0.2402 | |
| 292 | H | A | -0.3472 | |
| 293 | H | A | -1.0053 | |
| 294 | I | A | -1.5427 | |
| 295 | K | A | -2.5778 | |
| 296 | G | A | -1.5290 | |
| 297 | Q | A | -1.1209 | |
| 298 | L | A | 0.2109 | |
| 299 | Q | A | -1.1404 | |
| 300 | A | A | -0.8367 | |
| 301 | P | A | -1.1585 | |
| 302 | E | A | -1.9900 | |
| 303 | A | A | -0.8530 | |
| 304 | Y | A | 0.0000 | |
| 305 | T | A | 0.0000 | |
| 306 | I | A | 0.0511 | |
| 307 | L | A | -0.1104 | |
| 308 | D | A | -1.2635 | |
| 309 | E | A | -2.4983 | |
| 310 | V | A | 0.0000 | |
| 311 | V | A | -1.1334 | |
| 312 | Y | A | 0.0000 | |
| 313 | S | A | 0.0000 | |
| 314 | I | A | 0.0000 | |
| 315 | E | A | -1.8052 | |
| 316 | V | A | 0.0000 | |
| 317 | E | A | -1.8795 | |
| 318 | I | A | 0.0000 | |
| 319 | L | A | 0.0000 | |
| 320 | K | A | -3.2890 | |
| 321 | D | A | -3.5519 | |
| 322 | G | A | -2.8660 | |
| 323 | K | A | -3.0340 | |
| 324 | W | A | -1.3808 | |
| 325 | V | A | -1.1985 | |
| 326 | E | A | -2.2505 | |
| 327 | F | A | 0.0000 | |
| 328 | D | A | -2.4470 | |
| 329 | A | A | 0.0000 | |
| 330 | T | A | -1.4031 | |
| 331 | D | A | -1.4510 | |
| 332 | L | A | 0.0000 | |
| 333 | Q | A | -1.8904 | |
| 334 | L | A | 0.0000 | |
| 335 | E | A | -1.5217 | |
| 336 | F | A | 0.0000 | |
| 337 | V | A | -0.5970 | |
| 338 | R | A | -0.4074 | |
| 339 | I | A | 0.8463 | |
| 340 | D | A | -0.9148 | |
| 341 | P | A | -0.7822 | |
| 342 | F | A | 0.3492 | |
| 343 | V | A | -0.6924 | |
| 344 | R | A | -1.7454 | |
| 345 | T | A | -1.4073 | |
| 346 | A | A | -1.5088 | |
| 347 | L | A | 0.0000 | |
| 348 | K | A | -2.9757 | |
| 349 | K | A | -3.4486 | |
| 350 | R | A | -3.4982 | |
| 351 | G | A | -2.8966 | |
| 352 | K | A | -3.3659 | |
| 353 | K | A | -3.0807 | |
| 354 | Y | A | 0.0000 | |
| 355 | V | A | -1.7661 | |
| 356 | A | A | 0.0000 | |
| 357 | E | A | -1.8637 | |
| 358 | F | A | -1.7051 | |
| 359 | K | A | -2.3921 | |
| 360 | L | A | 0.0000 | |
| 361 | P | A | -0.3543 | |
| 362 | D | A | -1.0229 | |
| 363 | V | A | 0.8181 | |
| 364 | Y | A | 1.4760 | |
| 365 | G | A | 0.8777 | |
| 366 | V | A | 1.2396 | |
| 367 | Y | A | 0.0000 | |
| 368 | Q | A | -0.9519 | |
| 369 | F | A | 0.0000 | |
| 370 | K | A | -1.3130 | |
| 371 | V | A | 0.0000 | |
| 372 | D | A | -1.3228 | |
| 373 | Y | A | 0.0000 | |
| 374 | N | A | -1.5482 | |
| 375 | R | A | -1.0485 | |
| 376 | M | A | 0.2172 | |
| 377 | G | A | 0.0000 | |
| 378 | Y | A | -0.0805 | |
| 379 | T | A | -0.7071 | |
| 380 | H | A | -1.2815 | |
| 381 | L | A | 0.0000 | |
| 382 | Y | A | -0.0278 | |
| 383 | K | A | -0.4220 | |
| 384 | T | A | -0.7092 | |
| 385 | T | A | -0.9382 | |
| 386 | Q | A | -1.2975 | |
| 387 | V | A | 0.0000 | |
| 388 | S | A | -0.0936 | |
| 389 | V | A | 0.0000 | |
| 390 | R | A | 0.0887 | |
| 391 | P | A | -0.1567 | |
| 392 | L | A | -0.1634 | |
| 393 | Q | A | -1.3720 | |
| 394 | H | A | -1.4932 | |
| 395 | T | A | -1.2942 | |
| 396 | Q | A | -1.3707 | |
| 397 | Y | A | -0.8042 | |
| 398 | E | A | -1.7289 | |
| 399 | R | A | -1.2715 | |
| 400 | F | A | 1.3549 | |
| 401 | I | A | 1.1278 | |
| 402 | P | A | 0.7874 | |
| 403 | S | A | 0.7177 | |
| 404 | A | A | 1.5897 | |
| 405 | Y | A | 2.5106 | |
| 406 | P | A | 1.5892 | |
| 407 | Y | A | 2.5640 | |
| 408 | Y | A | 3.1746 | |
| 409 | I | A | 3.6287 | |
| 410 | S | A | 2.6367 | |
| 411 | A | A | 2.8804 | |
| 412 | F | A | 4.1419 | |
| 413 | S | A | 3.3306 | |
| 414 | M | A | 3.7185 | |
| 415 | M | A | 4.6753 | |
| 416 | F | A | 4.9164 | |
| 417 | G | A | 4.2064 | |
| 418 | V | A | 5.5307 | |
| 419 | F | A | 5.9194 | |
| 420 | I | A | 5.7247 | |
| 421 | F | A | 5.9922 | |
| 422 | T | A | 4.9128 | |
| 423 | F | A | 5.2287 | |
| 424 | V | A | 4.7258 | |
| 425 | F | A | 4.1442 | |
| 426 | L | A | 2.8562 | |
| 427 | H | A | 0.4843 | |
| 428 | H | A | -0.9233 | |
| 429 | R | A | -2.7930 | |
| 430 | D | A | -3.3810 | |
| 431 | S | A | -2.3414 | |
| 432 | A | A | -2.3192 | |
| 433 | K | A | -3.5776 | |
| 434 | D | A | -4.1676 | |
| 435 | K | A | -4.4053 | |
| 436 | E | A | -4.2384 | |
| 437 | E | A | -3.3669 |
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