| Chain sequence(s) |
A: SLPGHSTTGAGAPAPSDRNSLTVGSDGPLVLHDVHFLEQMAHFNREKVPERQPHAKGSGAFGVFETTEDVSRYTKAALFQKGCRTEMLARFSTVAGESGSPDTWRDVRGFSLKFYTTEGNYDLVGNNTPVFFVRDPMKFPHFIRSQKRLPDSGLRDAHMQWDFWTNNPESAHQVTYLMGDRGIPQSWRHMNGFGSHTYMWVNAAGEKFWVKYHFHNQQGEKNLTNEEAARIAGMDADYHRRDLFEAIARGDHPKWVMSVQVMPYAQAKTYRFNPFDLTKVWPHKDYPLIKVGVMTLNRNPANFFAEIEQAAFSPGNTVPGIGLSPDKMLLGRAFAYNDAHRARIGTNFHQLPVNRPKVPVNTYMFDGSMTYEHAGNAATYAPNSQGRAWADGGAAPEESWEVDTSLVREAYKLRKDDDDFGQAGTLVRDVFDDAQRQRLVDTVVGTLKSGVRAPVLERVFDYWKKVDADIGRRIEAQYKA
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Mutated residues | TM322A,GM450A,RD457A,KP362A,HL354A |
| Energy difference between WT (input) and mutated protein (by FoldX) | -6.73216 kcal/mol |
| 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] FoldX: Starting FoldX energy minimalization (00:00:01)
[INFO] FoldX: Building mutant model (00:09:43)
[INFO] FoldX: Starting FoldX energy minimalization (00:11:42)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:15:59)
[INFO] Main: Simulation completed successfully. (00:16:04)
|
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 | |
| 6 | S | A | 0.4329 | |
| 7 | L | A | 1.1006 | |
| 8 | P | A | -0.1755 | |
| 9 | G | A | -0.8615 | |
| 10 | H | A | -1.3275 | |
| 11 | S | A | -1.1149 | |
| 12 | T | A | -0.9338 | |
| 13 | T | A | -0.5235 | |
| 14 | G | A | -0.6629 | |
| 15 | A | A | -0.4059 | |
| 16 | G | A | -0.6466 | |
| 17 | A | A | -0.2397 | |
| 18 | P | A | -0.4499 | |
| 19 | A | A | 0.0000 | |
| 20 | P | A | -1.1223 | |
| 21 | S | A | -1.9551 | |
| 22 | D | A | -2.9346 | |
| 23 | R | A | -3.1584 | |
| 24 | N | A | -2.3556 | |
| 25 | S | A | -0.5628 | |
| 26 | L | A | 1.3275 | |
| 27 | T | A | 0.8749 | |
| 28 | V | A | 1.4123 | |
| 29 | G | A | -0.1476 | |
| 30 | S | A | -0.8321 | |
| 31 | D | A | -1.7484 | |
| 32 | G | A | -0.3773 | |
| 33 | P | A | 0.3825 | |
| 34 | L | A | 1.2876 | |
| 35 | V | A | 1.6948 | |
| 36 | L | A | 1.9352 | |
| 37 | H | A | 0.8221 | |
| 38 | D | A | 1.4565 | |
| 39 | V | A | 1.9430 | |
| 40 | H | A | 0.5239 | |
| 41 | F | A | 0.8592 | |
| 42 | L | A | 1.5984 | |
| 43 | E | A | 0.2035 | |
| 44 | Q | A | -0.3333 | |
| 45 | M | A | 0.1935 | |
| 46 | A | A | -0.7784 | |
| 47 | H | A | -1.8310 | |
| 48 | F | A | -0.6809 | |
| 49 | N | A | -2.3704 | |
| 50 | R | A | -3.3450 | |
| 51 | E | A | -3.1230 | |
| 52 | K | A | -2.9404 | |
| 53 | V | A | -1.0299 | |
| 54 | P | A | -0.6561 | |
| 55 | E | A | -1.2469 | |
| 56 | R | A | -1.1818 | |
| 57 | Q | A | -1.7501 | |
| 58 | P | A | -1.3172 | |
| 59 | H | A | -0.7990 | |
| 60 | A | A | 0.0000 | |
| 61 | K | A | 0.0000 | |
| 62 | G | A | 0.0000 | |
| 63 | S | A | 0.0000 | |
| 64 | G | A | 0.0000 | |
| 65 | A | A | 0.0000 | |
| 66 | F | A | 0.0000 | |
| 67 | G | A | 0.0000 | |
| 68 | V | A | -0.7007 | |
| 69 | F | A | 0.0000 | |
| 70 | E | A | -1.7238 | |
| 71 | T | A | 0.0000 | |
| 72 | T | A | -1.8464 | |
| 73 | E | A | -2.4365 | |
| 74 | D | A | -2.5937 | |
| 75 | V | A | 0.0000 | |
| 76 | S | A | -2.0353 | |
| 77 | R | A | -2.3975 | |
| 78 | Y | A | -1.4304 | |
| 79 | T | A | 0.0000 | |
| 80 | K | A | -1.4769 | |
| 81 | A | A | 0.0000 | |
| 82 | A | A | -0.7019 | |
| 83 | L | A | 0.0000 | |
| 84 | F | A | 0.0000 | |
| 85 | Q | A | -2.2765 | |
| 86 | K | A | -2.9807 | |
| 87 | G | A | -2.2656 | |
| 88 | C | A | -1.9033 | |
| 89 | R | A | -2.4754 | |
| 90 | T | A | 0.0000 | |
| 91 | E | A | -1.3622 | |
| 92 | M | A | 0.0000 | |
| 93 | L | A | 0.0000 | |
| 94 | A | A | 0.0000 | |
| 95 | R | A | 0.0000 | |
| 96 | F | A | 0.0000 | |
| 97 | S | A | 0.0000 | |
| 98 | T | A | 0.0000 | |
| 99 | V | A | 0.0000 | |
| 100 | A | A | 0.0000 | |
| 101 | G | A | 0.0000 | |
| 102 | E | A | -0.9961 | |
| 103 | S | A | -0.8217 | |
| 104 | G | A | -0.7363 | |
| 105 | S | A | 0.0000 | |
| 106 | P | A | -0.1840 | |
| 107 | D | A | 0.0000 | |
| 108 | T | A | 0.0000 | |
| 109 | W | A | 0.1120 | |
| 110 | R | A | -0.3728 | |
| 111 | D | A | 0.0000 | |
| 112 | V | A | 0.0000 | |
| 113 | R | A | 0.0000 | |
| 114 | G | A | 0.0000 | |
| 115 | F | A | 0.0000 | |
| 116 | S | A | -0.0585 | |
| 117 | L | A | 0.0000 | |
| 118 | K | A | 0.0000 | |
| 119 | F | A | 0.0000 | |
| 120 | Y | A | -0.4393 | |
| 121 | T | A | 0.0000 | |
| 122 | T | A | -0.3360 | |
| 123 | E | A | -0.6393 | |
| 124 | G | A | -0.3525 | |
| 125 | N | A | -0.4488 | |
| 126 | Y | A | 0.0000 | |
| 127 | D | A | 0.0000 | |
| 128 | L | A | 0.0000 | |
| 129 | V | A | 0.0000 | |
| 130 | G | A | 0.0000 | |
| 131 | N | A | -0.1893 | |
| 132 | N | A | 0.0000 | |
| 133 | T | A | 0.0000 | |
| 134 | P | A | 0.0382 | |
| 135 | V | A | 0.0000 | |
| 136 | F | A | 0.0000 | |
| 137 | F | A | 0.0000 | |
| 138 | V | A | 0.0000 | |
| 139 | R | A | -0.4059 | |
| 140 | D | A | -0.5317 | |
| 141 | P | A | -0.0678 | |
| 142 | M | A | 0.2701 | |
| 143 | K | A | -0.3440 | |
| 144 | F | A | -0.2258 | |
| 145 | P | A | -0.9428 | |
| 146 | H | A | -1.4904 | |
| 147 | F | A | 0.0000 | |
| 148 | I | A | 0.0000 | |
| 149 | R | A | -2.6007 | |
| 150 | S | A | 0.0000 | |
| 151 | Q | A | 0.0000 | |
| 152 | K | A | -1.4447 | |
| 153 | R | A | -1.3639 | |
| 154 | L | A | -0.8634 | |
| 155 | P | A | -1.3344 | |
| 156 | D | A | -1.8648 | |
| 157 | S | A | -0.8933 | |
| 158 | G | A | -0.5439 | |
| 159 | L | A | 0.5104 | |
| 160 | R | A | -0.5441 | |
| 161 | D | A | -0.4700 | |
| 162 | A | A | -0.9340 | |
| 163 | H | A | -1.1419 | |
| 164 | M | A | -0.8986 | |
| 165 | Q | A | -0.8146 | |
| 166 | W | A | 0.0000 | |
| 167 | D | A | -1.3605 | |
| 168 | F | A | -0.9854 | |
| 169 | W | A | 0.0000 | |
| 170 | T | A | 0.0000 | |
| 171 | N | A | -1.7287 | |
| 172 | N | A | -0.9992 | |
| 173 | P | A | -0.9261 | |
| 174 | E | A | -0.7818 | |
| 175 | S | A | 0.0000 | |
| 176 | A | A | 0.0000 | |
| 177 | H | A | 0.0000 | |
| 178 | Q | A | 0.0000 | |
| 179 | V | A | 0.0000 | |
| 180 | T | A | 0.0000 | |
| 181 | Y | A | -0.0385 | |
| 182 | L | A | 0.0000 | |
| 183 | M | A | 0.0000 | |
| 184 | G | A | 0.0000 | |
| 185 | D | A | -1.2525 | |
| 186 | R | A | -1.1990 | |
| 187 | G | A | 0.0000 | |
| 188 | I | A | 0.0000 | |
| 189 | P | A | 0.0000 | |
| 190 | Q | A | -1.0158 | |
| 191 | S | A | 0.0000 | |
| 192 | W | A | 0.0000 | |
| 193 | R | A | -1.0978 | |
| 194 | H | A | -1.4760 | |
| 195 | M | A | 0.0000 | |
| 196 | N | A | -0.8705 | |
| 197 | G | A | 0.0000 | |
| 198 | F | A | 0.0000 | |
| 199 | G | A | 0.0000 | |
| 200 | S | A | 0.0000 | |
| 201 | H | A | 0.0000 | |
| 202 | T | A | 0.0000 | |
| 203 | Y | A | 0.0000 | |
| 204 | M | A | 0.0000 | |
| 205 | W | A | 0.0000 | |
| 206 | V | A | 0.0000 | |
| 207 | N | A | 0.0000 | |
| 208 | A | A | -1.1634 | |
| 209 | A | A | -1.1548 | |
| 210 | G | A | -1.7484 | |
| 211 | E | A | -2.5605 | |
| 212 | K | A | -1.4639 | |
| 213 | F | A | -0.4894 | |
| 214 | W | A | 0.0000 | |
| 215 | V | A | 0.0000 | |
| 216 | K | A | 0.0000 | |
| 217 | Y | A | 0.0000 | |
| 218 | H | A | 0.0000 | |
| 219 | F | A | 0.0000 | |
| 220 | H | A | -0.7720 | |
| 221 | N | A | 0.0000 | |
| 222 | Q | A | -1.8364 | |
| 223 | Q | A | -1.6539 | |
| 224 | G | A | -1.6187 | |
| 225 | E | A | -1.9195 | |
| 226 | K | A | -2.0764 | |
| 227 | N | A | -1.5334 | |
| 228 | L | A | 0.0000 | |
| 229 | T | A | -1.5575 | |
| 230 | N | A | -2.1680 | |
| 231 | E | A | -2.9789 | |
| 232 | E | A | -2.7351 | |
| 233 | A | A | 0.0000 | |
| 234 | A | A | -1.8008 | |
| 235 | R | A | -2.5220 | |
| 236 | I | A | -0.9756 | |
| 237 | A | A | -0.7246 | |
| 238 | G | A | -0.5335 | |
| 239 | M | A | 0.3507 | |
| 240 | D | A | -0.2738 | |
| 241 | A | A | -0.4678 | |
| 242 | D | A | -0.8598 | |
| 243 | Y | A | -0.4829 | |
| 244 | H | A | 0.0000 | |
| 245 | R | A | -1.2240 | |
| 246 | R | A | -1.9119 | |
| 247 | D | A | -1.3173 | |
| 248 | L | A | 0.0000 | |
| 249 | F | A | -1.3677 | |
| 250 | E | A | -2.1985 | |
| 251 | A | A | 0.0000 | |
| 252 | I | A | 0.0000 | |
| 253 | A | A | -1.9854 | |
| 254 | R | A | -2.8565 | |
| 255 | G | A | -2.7263 | |
| 256 | D | A | -3.0676 | |
| 257 | H | A | -2.2984 | |
| 258 | P | A | 0.0000 | |
| 259 | K | A | -1.5868 | |
| 260 | W | A | 0.0000 | |
| 261 | V | A | -0.4469 | |
| 262 | M | A | 0.0000 | |
| 263 | S | A | 0.0000 | |
| 264 | V | A | 0.0000 | |
| 265 | Q | A | 0.0000 | |
| 266 | V | A | 0.0000 | |
| 267 | M | A | 0.0000 | |
| 268 | P | A | -0.4612 | |
| 269 | Y | A | -0.4322 | |
| 270 | A | A | -0.5123 | |
| 271 | Q | A | -0.9895 | |
| 272 | A | A | 0.0000 | |
| 273 | K | A | -1.4247 | |
| 274 | T | A | -1.1911 | |
| 275 | Y | A | 0.0000 | |
| 276 | R | A | -1.4461 | |
| 277 | F | A | -0.6904 | |
| 278 | N | A | 0.0000 | |
| 279 | P | A | 0.0000 | |
| 280 | F | A | 0.0000 | |
| 281 | D | A | 0.0000 | |
| 282 | L | A | 0.0000 | |
| 283 | T | A | 0.0000 | |
| 284 | K | A | 0.0000 | |
| 285 | V | A | 0.3573 | |
| 286 | W | A | 0.0000 | |
| 287 | P | A | -0.9468 | |
| 288 | H | A | -1.6242 | |
| 289 | K | A | -2.2778 | |
| 290 | D | A | -1.5664 | |
| 291 | Y | A | -0.8402 | |
| 292 | P | A | -0.7875 | |
| 293 | L | A | 0.1762 | |
| 294 | I | A | 0.0574 | |
| 295 | K | A | -0.9199 | |
| 296 | V | A | 0.0000 | |
| 297 | G | A | 0.0000 | |
| 298 | V | A | -0.4947 | |
| 299 | M | A | 0.0000 | |
| 300 | T | A | -0.7636 | |
| 301 | L | A | 0.0000 | |
| 302 | N | A | -1.6383 | |
| 303 | R | A | -1.4601 | |
| 304 | N | A | -1.0790 | |
| 305 | P | A | -0.5511 | |
| 306 | A | A | -0.5927 | |
| 307 | N | A | -0.8428 | |
| 308 | F | A | 0.1468 | |
| 309 | F | A | 0.4319 | |
| 310 | A | A | -0.0857 | |
| 311 | E | A | -0.4440 | |
| 312 | I | A | 0.0000 | |
| 313 | E | A | -0.0692 | |
| 314 | Q | A | 0.0957 | |
| 315 | A | A | 0.0000 | |
| 316 | A | A | 0.0000 | |
| 317 | F | A | 0.0000 | |
| 318 | S | A | 0.0000 | |
| 319 | P | A | 0.0000 | |
| 320 | G | A | -0.0138 | |
| 321 | N | A | -0.6023 | |
| 322 | M | A | -0.2211 | mutated: TM322A |
| 323 | V | A | 0.0000 | |
| 324 | P | A | -0.6601 | |
| 325 | G | A | 0.0000 | |
| 326 | I | A | 0.0000 | |
| 327 | G | A | 0.0000 | |
| 328 | L | A | 0.2906 | |
| 329 | S | A | 0.0000 | |
| 330 | P | A | 0.0674 | |
| 331 | D | A | 0.0000 | |
| 332 | K | A | -0.3885 | |
| 333 | M | A | 0.0000 | |
| 334 | L | A | 0.0000 | |
| 335 | L | A | 0.7997 | |
| 336 | G | A | 0.7268 | |
| 337 | R | A | 0.3764 | |
| 338 | A | A | 0.7834 | |
| 339 | F | A | 1.6079 | |
| 340 | A | A | 0.5146 | |
| 341 | Y | A | -0.2571 | |
| 342 | N | A | -0.9623 | |
| 343 | D | A | -1.5737 | |
| 344 | A | A | -1.1441 | |
| 345 | H | A | 0.0000 | |
| 346 | R | A | -2.2155 | |
| 347 | A | A | -1.0445 | |
| 348 | R | A | 0.0000 | |
| 349 | I | A | -0.1809 | |
| 350 | G | A | -0.7027 | |
| 351 | T | A | -1.1617 | |
| 352 | N | A | -0.3604 | |
| 353 | F | A | -0.2679 | |
| 354 | L | A | -0.1827 | mutated: HL354A |
| 355 | Q | A | -0.2527 | |
| 356 | L | A | 0.0000 | |
| 357 | P | A | -0.5957 | |
| 358 | V | A | 0.0000 | |
| 359 | N | A | 0.0000 | |
| 360 | R | A | -0.6448 | |
| 361 | P | A | -0.3181 | |
| 362 | P | A | -0.2359 | mutated: KP362A |
| 363 | V | A | 0.1176 | |
| 364 | P | A | 0.0821 | |
| 365 | V | A | 0.6479 | |
| 366 | N | A | -0.3847 | |
| 367 | T | A | 0.4693 | |
| 368 | Y | A | 1.3927 | |
| 369 | M | A | 1.0435 | |
| 370 | F | A | -0.1403 | |
| 371 | D | A | -1.6832 | |
| 372 | G | A | -1.0621 | |
| 373 | S | A | -0.4312 | |
| 374 | M | A | 0.2078 | |
| 375 | T | A | -0.4470 | |
| 376 | Y | A | 0.0322 | |
| 377 | E | A | -1.8291 | |
| 378 | H | A | -1.8843 | |
| 379 | A | A | -1.3476 | |
| 380 | G | A | -1.5177 | |
| 381 | N | A | -1.6204 | |
| 382 | A | A | -1.1096 | |
| 383 | A | A | 0.0000 | |
| 384 | T | A | 0.6769 | |
| 385 | Y | A | 1.3688 | |
| 386 | A | A | 0.1916 | |
| 387 | P | A | -0.4604 | |
| 388 | N | A | -0.6247 | |
| 389 | S | A | -1.1664 | |
| 390 | Q | A | -1.8278 | |
| 391 | G | A | -1.4886 | |
| 392 | R | A | -1.3588 | |
| 393 | A | A | -0.8193 | |
| 394 | W | A | -0.2183 | |
| 395 | A | A | -0.8081 | |
| 396 | D | A | -2.0324 | |
| 397 | G | A | -1.5227 | |
| 398 | G | A | -1.1662 | |
| 399 | A | A | -0.6498 | |
| 400 | A | A | -0.5787 | |
| 401 | P | A | -1.2053 | |
| 402 | E | A | -2.0956 | |
| 403 | E | A | -1.4118 | |
| 404 | S | A | -0.8035 | |
| 405 | W | A | -0.4934 | |
| 406 | E | A | -1.1979 | |
| 407 | V | A | 0.0680 | |
| 408 | D | A | -1.2141 | |
| 409 | T | A | -0.0841 | |
| 410 | S | A | 0.3025 | |
| 411 | L | A | 1.2631 | |
| 412 | V | A | 0.5485 | |
| 413 | R | A | -1.7822 | |
| 414 | E | A | -2.3793 | |
| 415 | A | A | -1.2307 | |
| 416 | Y | A | -0.9784 | |
| 417 | K | A | -1.3606 | |
| 418 | L | A | -0.2370 | |
| 419 | R | A | -1.3898 | |
| 420 | K | A | -2.2234 | |
| 421 | D | A | -1.5275 | |
| 422 | D | A | 0.0000 | |
| 423 | D | A | -1.2917 | |
| 424 | D | A | -1.2033 | |
| 425 | F | A | -0.9694 | |
| 426 | G | A | -0.8367 | |
| 427 | Q | A | -0.4355 | |
| 428 | A | A | 0.0000 | |
| 429 | G | A | 0.0000 | |
| 430 | T | A | -0.6429 | |
| 431 | L | A | -0.3156 | |
| 432 | V | A | 0.0000 | |
| 433 | R | A | -2.4432 | |
| 434 | D | A | -1.9760 | |
| 435 | V | A | 0.0266 | |
| 436 | F | A | -1.3839 | |
| 437 | D | A | -3.1003 | |
| 438 | D | A | -3.4459 | |
| 439 | A | A | -2.3474 | |
| 440 | Q | A | -2.4095 | |
| 441 | R | A | -2.6933 | |
| 442 | Q | A | -3.2233 | |
| 443 | R | A | -2.9369 | |
| 444 | L | A | 0.0000 | |
| 445 | V | A | -2.0962 | |
| 446 | D | A | -2.5431 | |
| 447 | T | A | 0.0000 | |
| 448 | V | A | 0.0000 | |
| 449 | V | A | 0.0000 | |
| 450 | M | A | -0.5133 | mutated: GM450A |
| 451 | T | A | -0.5466 | |
| 452 | L | A | 0.0000 | |
| 453 | K | A | -2.0920 | |
| 454 | S | A | -1.3942 | |
| 455 | G | A | -1.4091 | |
| 456 | V | A | -1.5447 | |
| 457 | D | A | -2.2651 | mutated: RD457A |
| 458 | A | A | -1.7421 | |
| 459 | P | A | -1.7771 | |
| 460 | V | A | 0.0000 | |
| 461 | L | A | 0.0000 | |
| 462 | E | A | -3.3595 | |
| 463 | R | A | -3.4716 | |
| 464 | V | A | 0.0000 | |
| 465 | F | A | 0.0000 | |
| 466 | D | A | -3.6721 | |
| 467 | Y | A | 0.0000 | |
| 468 | W | A | 0.0000 | |
| 469 | K | A | -3.0387 | |
| 470 | K | A | -2.7127 | |
| 471 | V | A | 0.0000 | |
| 472 | D | A | -2.1218 | |
| 473 | A | A | -2.5056 | |
| 474 | D | A | -3.3081 | |
| 475 | I | A | 0.0000 | |
| 476 | G | A | 0.0000 | |
| 477 | R | A | -3.6767 | |
| 478 | R | A | -3.4795 | |
| 479 | I | A | 0.0000 | |
| 480 | E | A | -2.6131 | |
| 481 | A | A | -1.8731 | |
| 482 | Q | A | -2.1735 | |
| 483 | Y | A | -1.8316 | |
| 484 | K | A | -2.0108 | |
| 485 | A | A | -1.0991 |
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