| Chain sequence(s) |
A: MKIEEGKLVIWINGDKGYNGLAEVGKKFEKDTGIKVTVEHPDKLEEKFPQVAATGDGPDIIFWAHDRFGGYAQSGLLAEITPDKAFQDKLYPFTWDAVRYNGKLIAYPIAVEALSLIYNKDLLPNPPKTWEEIPALDKELKAKGKSALMFNLQEPYFTWPLIAADGGYAFKYENGKYDIKDVGVDNAGAKAGLTFLVDLIKNKHMNADTDYSIAEAAFNKGETAMTINGPWAWSNIDTSKVNYGVTVLPTFKGQPSKPFVGVLSAGINAASPNKELAKEFLENYLLTDEGLEAVNKDKPLGAVALKSYEEELAKDPRIAATMENAQKGEIMPNIPQMSAFWYAVRTAVINAASGRQTVDAALYEEVEYYYQRALGIYQTKLGPDDPNVAKTKNNLASCYLKQGKFKQAETLYKEILTRAHEREFG
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Mutated residues | GN425A,FR424A |
| Energy difference between WT (input) and mutated protein (by FoldX) | 1.25094 kcal/mol
CAUTION: Your mutation/s can destabilize the protein structure |
| 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] FoldX: Starting FoldX energy minimalization (00:00:00)
[INFO] FoldX: Building mutant model (00:03:14)
[INFO] FoldX: Starting FoldX energy minimalization (00:03:31)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:06:21)
[INFO] Main: Simulation completed successfully. (00:06:23)
|
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 | -0.4617 | |
| 2 | K | A | -2.0489 | |
| 3 | I | A | 0.0000 | |
| 4 | E | A | -3.2157 | |
| 5 | E | A | -3.1803 | |
| 6 | G | A | -2.2058 | |
| 7 | K | A | -2.1279 | |
| 8 | L | A | 0.0000 | |
| 9 | V | A | -0.2511 | |
| 10 | I | A | 0.0000 | |
| 11 | W | A | -0.2881 | |
| 12 | I | A | 0.0000 | |
| 13 | N | A | -1.8573 | |
| 14 | G | A | -2.2122 | |
| 15 | D | A | -2.2968 | |
| 16 | K | A | -1.8751 | |
| 17 | G | A | 0.0000 | |
| 18 | Y | A | -1.4686 | |
| 19 | N | A | -1.9882 | |
| 20 | G | A | 0.0000 | |
| 21 | L | A | 0.0000 | |
| 22 | A | A | -1.7942 | |
| 23 | E | A | -3.0408 | |
| 24 | V | A | 0.0000 | |
| 25 | G | A | 0.0000 | |
| 26 | K | A | -4.0421 | |
| 27 | K | A | -3.6734 | |
| 28 | F | A | 0.0000 | |
| 29 | E | A | -3.7394 | |
| 30 | K | A | -3.8289 | |
| 31 | D | A | -2.9364 | |
| 32 | T | A | -2.0188 | |
| 33 | G | A | -2.2376 | |
| 34 | I | A | -2.1382 | |
| 35 | K | A | -2.4234 | |
| 36 | V | A | -1.4141 | |
| 37 | T | A | -0.5780 | |
| 38 | V | A | -0.4795 | |
| 39 | E | A | -1.3289 | |
| 40 | H | A | -2.0612 | |
| 41 | P | A | -2.0125 | |
| 42 | D | A | -3.2355 | |
| 43 | K | A | -3.3344 | |
| 44 | L | A | 0.0000 | |
| 45 | E | A | 0.0000 | |
| 46 | E | A | -3.2213 | |
| 47 | K | A | -2.6326 | |
| 48 | F | A | 0.0000 | |
| 49 | P | A | -1.4790 | |
| 50 | Q | A | -1.7422 | |
| 51 | V | A | -0.9630 | |
| 52 | A | A | 0.0000 | |
| 53 | A | A | -0.4702 | |
| 54 | T | A | -0.4728 | |
| 55 | G | A | -0.5330 | |
| 56 | D | A | -1.2013 | |
| 57 | G | A | -0.8780 | |
| 58 | P | A | 0.0000 | |
| 59 | D | A | 0.0000 | |
| 60 | I | A | 0.0000 | |
| 61 | I | A | 0.0000 | |
| 62 | F | A | 0.0000 | |
| 63 | W | A | -0.2145 | |
| 64 | A | A | -0.4718 | |
| 65 | H | A | 0.0000 | |
| 66 | D | A | -1.1348 | |
| 67 | R | A | -1.6848 | |
| 68 | F | A | 0.0000 | |
| 69 | G | A | 0.0000 | |
| 70 | G | A | -1.2639 | |
| 71 | Y | A | 0.0000 | |
| 72 | A | A | -1.5649 | |
| 73 | Q | A | -1.6350 | |
| 74 | S | A | -1.0590 | |
| 75 | G | A | -1.1529 | |
| 76 | L | A | 0.0000 | |
| 77 | L | A | 0.0000 | |
| 78 | A | A | -1.1408 | |
| 79 | E | A | -2.1917 | |
| 80 | I | A | 0.0000 | |
| 81 | T | A | -1.4078 | |
| 82 | P | A | 0.0000 | |
| 83 | D | A | -2.9427 | |
| 84 | K | A | -3.2793 | |
| 85 | A | A | -2.2356 | |
| 86 | F | A | 0.0000 | |
| 87 | Q | A | -2.6030 | |
| 88 | D | A | -3.1598 | |
| 89 | K | A | -2.2852 | |
| 90 | L | A | 0.0000 | |
| 91 | Y | A | -0.8137 | |
| 92 | P | A | -0.8970 | |
| 93 | F | A | -0.5671 | |
| 94 | T | A | 0.0000 | |
| 95 | W | A | 0.0000 | |
| 96 | D | A | -1.4715 | |
| 97 | A | A | 0.0000 | |
| 98 | V | A | 0.0000 | |
| 99 | R | A | -2.1003 | |
| 100 | Y | A | -1.8918 | |
| 101 | N | A | -2.0755 | |
| 102 | G | A | -1.9441 | |
| 103 | K | A | -2.3539 | |
| 104 | L | A | -1.6077 | |
| 105 | I | A | 0.0000 | |
| 106 | A | A | 0.0000 | |
| 107 | Y | A | 0.0000 | |
| 108 | P | A | 0.0000 | |
| 109 | I | A | 0.0000 | |
| 110 | A | A | 0.0000 | |
| 111 | V | A | 0.0000 | |
| 112 | E | A | -0.6560 | |
| 113 | A | A | 0.0000 | |
| 114 | L | A | 0.0000 | |
| 115 | S | A | 0.0000 | |
| 116 | L | A | 0.0000 | |
| 117 | I | A | 0.0000 | |
| 118 | Y | A | -0.5402 | |
| 119 | N | A | 0.0000 | |
| 120 | K | A | -2.0898 | |
| 121 | D | A | -2.3651 | |
| 122 | L | A | -1.4545 | |
| 123 | L | A | 0.0000 | |
| 124 | P | A | -1.5545 | |
| 125 | N | A | -1.9184 | |
| 126 | P | A | -1.1669 | |
| 127 | P | A | -1.3785 | |
| 128 | K | A | -2.1093 | |
| 129 | T | A | -1.7794 | |
| 130 | W | A | 0.0000 | |
| 131 | E | A | -1.6838 | |
| 132 | E | A | -1.2584 | |
| 133 | I | A | 0.0000 | |
| 134 | P | A | -1.4360 | |
| 135 | A | A | -1.1841 | |
| 136 | L | A | -1.3415 | |
| 137 | D | A | 0.0000 | |
| 138 | K | A | -3.3119 | |
| 139 | E | A | -3.3205 | |
| 140 | L | A | 0.0000 | |
| 141 | K | A | -2.9869 | |
| 142 | A | A | -2.4361 | |
| 143 | K | A | -2.9226 | |
| 144 | G | A | -2.5420 | |
| 145 | K | A | -2.5642 | |
| 146 | S | A | -1.7389 | |
| 147 | A | A | 0.0000 | |
| 148 | L | A | 0.0000 | |
| 149 | M | A | -0.1475 | |
| 150 | F | A | 0.0000 | |
| 151 | N | A | -0.7181 | |
| 152 | L | A | 0.0000 | |
| 153 | Q | A | -1.3947 | |
| 154 | E | A | -0.6235 | |
| 155 | P | A | 0.0000 | |
| 156 | Y | A | -0.1149 | |
| 157 | F | A | 0.0000 | |
| 158 | T | A | 0.0000 | |
| 159 | W | A | 0.0000 | |
| 160 | P | A | 0.0000 | |
| 161 | L | A | 0.0000 | |
| 162 | I | A | 0.0000 | |
| 163 | A | A | 0.0000 | |
| 164 | A | A | 0.0000 | |
| 165 | D | A | -1.6896 | |
| 166 | G | A | -0.8199 | |
| 167 | G | A | 0.0000 | |
| 168 | Y | A | -0.1716 | |
| 169 | A | A | 0.0000 | |
| 170 | F | A | 0.0000 | |
| 171 | K | A | -1.4388 | |
| 172 | Y | A | -1.4985 | |
| 173 | E | A | -2.8757 | |
| 174 | N | A | -2.6062 | |
| 175 | G | A | -2.4942 | |
| 176 | K | A | -2.6927 | |
| 177 | Y | A | -1.5943 | |
| 178 | D | A | -1.8363 | |
| 179 | I | A | -0.6472 | |
| 180 | K | A | -1.1620 | |
| 181 | D | A | -0.9098 | |
| 182 | V | A | -0.3710 | |
| 183 | G | A | 0.0000 | |
| 184 | V | A | 0.0000 | |
| 185 | D | A | -0.5907 | |
| 186 | N | A | -0.6430 | |
| 187 | A | A | -0.5366 | |
| 188 | G | A | 0.0000 | |
| 189 | A | A | 0.0000 | |
| 190 | K | A | -0.6518 | |
| 191 | A | A | -0.4679 | |
| 192 | G | A | 0.0000 | |
| 193 | L | A | 0.0000 | |
| 194 | T | A | -0.2799 | |
| 195 | F | A | -0.4049 | |
| 196 | L | A | 0.0000 | |
| 197 | V | A | -1.0996 | |
| 198 | D | A | -2.0481 | |
| 199 | L | A | 0.0000 | |
| 200 | I | A | 0.0000 | |
| 201 | K | A | -3.2048 | |
| 202 | N | A | -2.8087 | |
| 203 | K | A | -3.2329 | |
| 204 | H | A | 0.0000 | |
| 205 | M | A | 0.0000 | |
| 206 | N | A | -2.6022 | |
| 207 | A | A | -2.0777 | |
| 208 | D | A | -2.3048 | |
| 209 | T | A | 0.0000 | |
| 210 | D | A | -1.0254 | |
| 211 | Y | A | 0.1071 | |
| 212 | S | A | 0.2908 | |
| 213 | I | A | 0.7820 | |
| 214 | A | A | 0.0000 | |
| 215 | E | A | -0.4434 | |
| 216 | A | A | -0.6201 | |
| 217 | A | A | 0.0000 | |
| 218 | F | A | 0.0000 | |
| 219 | N | A | -2.1146 | |
| 220 | K | A | -2.5634 | |
| 221 | G | A | -2.2362 | |
| 222 | E | A | -2.4443 | |
| 223 | T | A | 0.0000 | |
| 224 | A | A | 0.0000 | |
| 225 | M | A | 0.0000 | |
| 226 | T | A | 0.0000 | |
| 227 | I | A | 0.0000 | |
| 228 | N | A | 0.0000 | |
| 229 | G | A | 0.0000 | |
| 230 | P | A | -0.0177 | |
| 231 | W | A | 0.1854 | |
| 232 | A | A | 0.0000 | |
| 233 | W | A | 0.0000 | |
| 234 | S | A | -1.0939 | |
| 235 | N | A | -1.9043 | |
| 236 | I | A | 0.0000 | |
| 237 | D | A | -2.2551 | |
| 238 | T | A | -1.6419 | |
| 239 | S | A | -2.0666 | |
| 240 | K | A | -2.6522 | |
| 241 | V | A | -2.1986 | |
| 242 | N | A | -2.0860 | |
| 243 | Y | A | -1.2597 | |
| 244 | G | A | 0.0000 | |
| 245 | V | A | 0.0000 | |
| 246 | T | A | -0.2369 | |
| 247 | V | A | -0.2292 | |
| 248 | L | A | 0.0000 | |
| 249 | P | A | 0.0000 | |
| 250 | T | A | -1.4655 | |
| 251 | F | A | 0.0000 | |
| 252 | K | A | -2.4807 | |
| 253 | G | A | -2.0246 | |
| 254 | Q | A | -1.8250 | |
| 255 | P | A | -1.2674 | |
| 256 | S | A | 0.0000 | |
| 257 | K | A | -1.1038 | |
| 258 | P | A | 0.0000 | |
| 259 | F | A | 0.0000 | |
| 260 | V | A | 0.0000 | |
| 261 | G | A | -0.4607 | |
| 262 | V | A | 0.0000 | |
| 263 | L | A | 0.0000 | |
| 264 | S | A | 0.0000 | |
| 265 | A | A | 0.0000 | |
| 266 | G | A | 0.0000 | |
| 267 | I | A | 0.0000 | |
| 268 | N | A | 0.0000 | |
| 269 | A | A | -0.5177 | |
| 270 | A | A | -0.3032 | |
| 271 | S | A | 0.0000 | |
| 272 | P | A | -1.4996 | |
| 273 | N | A | 0.0000 | |
| 274 | K | A | -1.8311 | |
| 275 | E | A | -2.4560 | |
| 276 | L | A | -1.6791 | |
| 277 | A | A | 0.0000 | |
| 278 | K | A | -2.1249 | |
| 279 | E | A | -2.2055 | |
| 280 | F | A | 0.0000 | |
| 281 | L | A | 0.0000 | |
| 282 | E | A | -1.3390 | |
| 283 | N | A | -1.7344 | |
| 284 | Y | A | -1.4299 | |
| 285 | L | A | 0.0000 | |
| 286 | L | A | 0.0000 | |
| 287 | T | A | -1.7087 | |
| 288 | D | A | -2.4261 | |
| 289 | E | A | -2.6207 | |
| 290 | G | A | 0.0000 | |
| 291 | L | A | 0.0000 | |
| 292 | E | A | -2.5383 | |
| 293 | A | A | -2.4285 | |
| 294 | V | A | 0.0000 | |
| 295 | N | A | -2.0230 | |
| 296 | K | A | -2.6948 | |
| 297 | D | A | -2.4354 | |
| 298 | K | A | -2.1386 | |
| 299 | P | A | -1.2042 | |
| 300 | L | A | -0.6714 | |
| 301 | G | A | 0.0000 | |
| 302 | A | A | 0.0000 | |
| 303 | V | A | 0.0000 | |
| 304 | A | A | 0.0000 | |
| 305 | L | A | 0.0000 | |
| 306 | K | A | -1.8427 | |
| 307 | S | A | -1.7546 | |
| 308 | Y | A | 0.0000 | |
| 309 | E | A | 0.0000 | |
| 310 | E | A | -3.1901 | |
| 311 | E | A | -3.3790 | |
| 312 | L | A | -2.1526 | |
| 313 | A | A | -2.1098 | |
| 314 | K | A | -2.8179 | |
| 315 | D | A | -1.8368 | |
| 316 | P | A | -1.0547 | |
| 317 | R | A | -0.9104 | |
| 318 | I | A | -0.9170 | |
| 319 | A | A | -1.0664 | |
| 320 | A | A | 0.0000 | |
| 321 | T | A | 0.0000 | |
| 322 | M | A | 0.0000 | |
| 323 | E | A | -1.7482 | |
| 324 | N | A | 0.0000 | |
| 325 | A | A | 0.0000 | |
| 326 | Q | A | -2.0062 | |
| 327 | K | A | -1.9142 | |
| 328 | G | A | -1.4623 | |
| 329 | E | A | -1.1122 | |
| 330 | I | A | -0.5911 | |
| 331 | M | A | 0.0000 | |
| 332 | P | A | 0.0000 | |
| 333 | N | A | 0.0000 | |
| 334 | I | A | 0.0000 | |
| 335 | P | A | -0.9575 | |
| 336 | Q | A | -0.4533 | |
| 337 | M | A | 0.0000 | |
| 338 | S | A | -0.0629 | |
| 339 | A | A | 0.0718 | |
| 340 | F | A | 0.0000 | |
| 341 | W | A | 0.4943 | |
| 342 | Y | A | 1.1051 | |
| 343 | A | A | 0.0000 | |
| 344 | V | A | 0.0000 | |
| 345 | R | A | -0.2127 | |
| 346 | T | A | -0.0628 | |
| 347 | A | A | 0.0000 | |
| 348 | V | A | 0.0000 | |
| 349 | I | A | -0.5966 | |
| 350 | N | A | 0.0000 | |
| 351 | A | A | 0.0000 | |
| 352 | A | A | 0.0000 | |
| 353 | S | A | -1.5654 | |
| 354 | G | A | -1.6539 | |
| 355 | R | A | -2.1967 | |
| 356 | Q | A | -1.4619 | |
| 357 | T | A | -0.8956 | |
| 358 | V | A | -0.6327 | |
| 359 | D | A | -1.4463 | |
| 360 | A | A | -1.2514 | |
| 361 | A | A | 0.0000 | |
| 362 | L | A | 0.0000 | |
| 363 | Y | A | -1.1336 | |
| 364 | E | A | -1.3139 | |
| 365 | E | A | 0.0000 | |
| 366 | V | A | 0.0000 | |
| 367 | E | A | -0.8119 | |
| 368 | Y | A | -0.5320 | |
| 369 | Y | A | -0.6544 | |
| 370 | Y | A | -0.9104 | |
| 371 | Q | A | -1.3315 | |
| 372 | R | A | -1.8166 | |
| 373 | A | A | 0.0000 | |
| 374 | L | A | -0.8884 | |
| 375 | G | A | -1.0855 | |
| 376 | I | A | -0.2481 | |
| 377 | Y | A | -0.5943 | |
| 378 | Q | A | -0.9239 | |
| 379 | T | A | -0.6881 | |
| 380 | K | A | -1.2382 | |
| 381 | L | A | -0.1832 | |
| 382 | G | A | -0.7992 | |
| 383 | P | A | -1.2717 | |
| 384 | D | A | -1.7454 | |
| 385 | D | A | -1.3098 | |
| 386 | P | A | -1.1416 | |
| 387 | N | A | -1.3075 | |
| 388 | V | A | 0.0000 | |
| 389 | A | A | -1.5116 | |
| 390 | K | A | -2.0572 | |
| 391 | T | A | 0.0000 | |
| 392 | K | A | -1.1313 | |
| 393 | N | A | -1.2122 | |
| 394 | N | A | -0.8928 | |
| 395 | L | A | 0.0000 | |
| 396 | A | A | 0.0000 | |
| 397 | S | A | -0.3550 | |
| 398 | C | A | 0.0000 | |
| 399 | Y | A | 0.0000 | |
| 400 | L | A | 0.0141 | |
| 401 | K | A | -1.2388 | |
| 402 | Q | A | -1.0892 | |
| 403 | G | A | -0.6444 | |
| 404 | K | A | -0.8723 | |
| 405 | F | A | 0.0800 | |
| 406 | K | A | -1.7852 | |
| 407 | Q | A | -1.4249 | |
| 408 | A | A | 0.0000 | |
| 409 | E | A | -2.4866 | |
| 410 | T | A | -2.0694 | |
| 411 | L | A | -1.6335 | |
| 412 | Y | A | -1.4448 | |
| 413 | K | A | -2.3330 | |
| 414 | E | A | -2.2908 | |
| 415 | I | A | -1.3660 | |
| 416 | L | A | -0.5239 | |
| 417 | T | A | -1.6318 | |
| 418 | R | A | -2.9611 | |
| 419 | A | A | -2.8379 | |
| 420 | H | A | -3.5716 | |
| 421 | E | A | -4.1644 | |
| 422 | R | A | -4.7009 | |
| 423 | E | A | -4.6973 | |
| 424 | R | A | -4.4446 | mutated: FR424A |
| 425 | N | A | -3.8629 | mutated: GN425A |
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