| Chain sequence(s) |
A: ICLQKTSNQILKPKLISYTLPVVGQSGTCITDPLLAMDEGYFAYSHLERIGSCSRGVSKQRIIGVGEVLDRGDEVPSLFMTNVWTPPNPNTVYHCSAVYNNEFYYVLCAVSTVGDPILNSTYWSGSLMMTRLAVKPKSNGGGYNQHQLALRSIEKGRYDKVMPYGPSGIKQGDTLYFPAVGFLVRTEFKYNDSNCPITKCQYSKPENCRLSMGIRPNSHYILRSGLLKYNLSDGENPKVVFIEISDQRLSIGSPSKIYDSLGQPVFYQASFSWDTMIKFGDVLTVNPLVVNWRNNTVISRPGQSQCPRFNTCPEICWEGVYNDAFLIDRINWISAGVFLDSNQTAENPVFTVFKDNEILYRAQLASEDTNAQKTITNCFLLKNKIWCISLVEIYDTGDNVIRPKLFAVKIPEQCTH
B: TTTVKTRTGFEVTQDGNTLTVTVTETGVTATVDVKGQKLKSVRGSLPMFPSVQVTITFDDGTEYRASYNLLTNELTVEKL input PDB |
| Selected Chain(s) | A,B |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| 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 all 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] Analysis: Starting Aggrescan3D on folded.pdb (00:08:42)
[INFO] Main: Simulation completed successfully. (00:08:48)
|
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 | I | A | -0.6859 | |
| 2 | C | A | 0.0000 | |
| 3 | L | A | -0.3965 | |
| 4 | Q | A | -1.7057 | |
| 5 | K | A | -2.5068 | |
| 6 | T | A | -1.6457 | |
| 7 | S | A | -1.5278 | |
| 8 | N | A | -1.9162 | |
| 9 | Q | A | -2.3591 | |
| 10 | I | A | 0.0000 | |
| 11 | L | A | 0.0000 | |
| 12 | K | A | -2.4537 | |
| 13 | P | A | -1.1532 | |
| 14 | K | A | -0.6058 | |
| 15 | L | A | 0.9632 | |
| 16 | I | A | 0.0000 | |
| 17 | S | A | 0.0000 | |
| 18 | Y | A | 1.5185 | |
| 19 | T | A | 0.0000 | |
| 20 | L | A | 0.0000 | |
| 21 | P | A | 0.2705 | |
| 22 | V | A | 0.2974 | |
| 23 | V | A | -0.0351 | |
| 24 | G | A | -0.5666 | |
| 25 | Q | A | -0.8805 | |
| 26 | S | A | -0.5824 | |
| 27 | G | A | -0.6453 | |
| 28 | T | A | 0.0000 | |
| 29 | C | A | 0.0000 | |
| 30 | I | A | 0.0000 | |
| 31 | T | A | -0.5022 | |
| 32 | D | A | -0.7323 | |
| 33 | P | A | 0.0000 | |
| 34 | L | A | 0.0000 | |
| 35 | L | A | 0.0000 | |
| 36 | A | A | 0.0000 | |
| 37 | M | A | -0.6639 | |
| 38 | D | A | -1.7668 | |
| 39 | E | A | -2.4570 | |
| 40 | G | A | -0.9939 | |
| 41 | Y | A | -0.8182 | |
| 42 | F | A | 0.0000 | |
| 43 | A | A | 0.0000 | |
| 44 | Y | A | 0.0000 | |
| 45 | S | A | 0.0000 | |
| 46 | H | A | 0.0000 | |
| 47 | L | A | 0.0000 | |
| 48 | E | A | 0.0000 | |
| 49 | R | A | 0.0310 | |
| 50 | I | A | 1.0592 | |
| 51 | G | A | 0.0440 | |
| 52 | S | A | 0.0000 | |
| 53 | C | A | 0.0000 | |
| 54 | S | A | -0.5716 | |
| 55 | R | A | -0.8918 | |
| 56 | G | A | 0.1293 | |
| 57 | V | A | 1.2300 | |
| 58 | S | A | -0.1960 | |
| 59 | K | A | -0.8281 | |
| 60 | Q | A | -0.9100 | |
| 61 | R | A | 0.0000 | |
| 62 | I | A | 0.0000 | |
| 63 | I | A | 0.0000 | |
| 64 | G | A | 0.0000 | |
| 65 | V | A | 0.0000 | |
| 66 | G | A | 0.0000 | |
| 67 | E | A | -0.2872 | |
| 68 | V | A | 0.0719 | |
| 69 | L | A | 0.0857 | |
| 70 | D | A | -1.8097 | |
| 71 | R | A | -1.8593 | |
| 72 | G | A | -2.3308 | |
| 73 | D | A | -3.2213 | |
| 74 | E | A | -3.4355 | |
| 75 | V | A | 0.0000 | |
| 76 | P | A | 0.0000 | |
| 77 | S | A | 0.0000 | |
| 78 | L | A | 0.0000 | |
| 79 | F | A | 0.9921 | |
| 80 | M | A | 0.5359 | |
| 81 | T | A | 0.0663 | |
| 82 | N | A | 0.0000 | |
| 83 | V | A | 0.9186 | |
| 84 | W | A | 0.3448 | |
| 85 | T | A | -0.0244 | |
| 86 | P | A | 0.0000 | |
| 87 | P | A | -0.8730 | |
| 88 | N | A | -1.5633 | |
| 89 | P | A | -1.1641 | |
| 90 | N | A | -1.3290 | |
| 91 | T | A | -0.6610 | |
| 92 | V | A | 0.0000 | |
| 93 | Y | A | -0.0676 | |
| 94 | H | A | -0.1458 | |
| 95 | C | A | 0.0000 | |
| 96 | S | A | 0.0000 | |
| 97 | A | A | 0.0000 | |
| 98 | V | A | 0.0000 | |
| 99 | Y | A | 0.0000 | |
| 100 | N | A | -1.9889 | |
| 101 | N | A | -2.3384 | |
| 102 | E | A | -2.1077 | |
| 103 | F | A | -1.0243 | |
| 104 | Y | A | 0.0000 | |
| 105 | Y | A | 0.0000 | |
| 106 | V | A | 0.0000 | |
| 107 | L | A | 0.0000 | |
| 108 | C | A | 0.0000 | |
| 109 | A | A | 0.0000 | |
| 110 | V | A | 0.2072 | |
| 111 | S | A | 0.0000 | |
| 112 | T | A | -0.0047 | |
| 113 | V | A | 0.3816 | |
| 114 | G | A | -0.1271 | |
| 115 | D | A | -0.3558 | |
| 116 | P | A | 0.0000 | |
| 117 | I | A | 0.0000 | |
| 118 | L | A | 0.1668 | |
| 119 | N | A | -0.1217 | |
| 120 | S | A | -0.0446 | |
| 121 | T | A | 0.1399 | |
| 122 | Y | A | 1.1414 | |
| 123 | W | A | 0.0000 | |
| 124 | S | A | 0.0474 | |
| 125 | G | A | -0.0913 | |
| 126 | S | A | 0.0911 | |
| 127 | L | A | 0.2111 | |
| 128 | M | A | 0.2767 | |
| 129 | M | A | 0.0000 | |
| 130 | T | A | 0.0000 | |
| 131 | R | A | -0.8383 | |
| 132 | L | A | 0.0000 | |
| 133 | A | A | 0.0000 | |
| 134 | V | A | 0.0000 | |
| 135 | K | A | -1.8560 | |
| 136 | P | A | -1.9765 | |
| 137 | K | A | -2.6190 | |
| 138 | S | A | -1.8842 | |
| 139 | N | A | -2.1170 | |
| 140 | G | A | -1.7654 | |
| 141 | G | A | -1.6185 | |
| 142 | G | A | -1.4412 | |
| 143 | Y | A | -1.1820 | |
| 144 | N | A | -1.4376 | |
| 145 | Q | A | -1.1018 | |
| 146 | H | A | -1.3884 | |
| 147 | Q | A | -1.1170 | |
| 148 | L | A | -0.8474 | |
| 149 | A | A | -0.9153 | |
| 150 | L | A | -0.9027 | |
| 151 | R | A | -1.9243 | |
| 152 | S | A | -1.5680 | |
| 153 | I | A | -1.2239 | |
| 154 | E | A | -2.1331 | |
| 155 | K | A | -1.9586 | |
| 156 | G | A | -1.9602 | |
| 157 | R | A | -2.4019 | |
| 158 | Y | A | 0.0000 | |
| 159 | D | A | -1.5917 | |
| 160 | K | A | -1.1803 | |
| 161 | V | A | 0.0000 | |
| 162 | M | A | 0.0000 | |
| 163 | P | A | 0.0000 | |
| 164 | Y | A | 0.0000 | |
| 165 | G | A | -0.1015 | |
| 166 | P | A | 0.0000 | |
| 167 | S | A | 0.0000 | |
| 168 | G | A | -0.5060 | |
| 169 | I | A | 0.0000 | |
| 170 | K | A | -2.4159 | |
| 171 | Q | A | -2.2196 | |
| 172 | G | A | -2.0572 | |
| 173 | D | A | -2.7890 | |
| 174 | T | A | -1.8853 | |
| 175 | L | A | 0.0000 | |
| 176 | Y | A | -0.5700 | |
| 177 | F | A | 0.0000 | |
| 178 | P | A | 0.0000 | |
| 179 | A | A | 0.0000 | |
| 180 | V | A | 0.0000 | |
| 181 | G | A | 0.0000 | |
| 182 | F | A | 0.0000 | |
| 183 | L | A | 0.0000 | |
| 184 | V | A | -0.8442 | |
| 185 | R | A | -1.2284 | |
| 186 | T | A | -1.2499 | |
| 187 | E | A | -2.3170 | |
| 188 | F | A | -1.8379 | |
| 189 | K | A | -2.5723 | |
| 190 | Y | A | -2.0470 | |
| 191 | N | A | -2.2895 | |
| 192 | D | A | -2.1624 | |
| 193 | S | A | -1.4655 | |
| 194 | N | A | -1.9866 | |
| 195 | C | A | 0.0000 | |
| 196 | P | A | -1.0796 | |
| 197 | I | A | -1.0194 | |
| 198 | T | A | -1.1664 | |
| 199 | K | A | -1.7930 | |
| 200 | C | A | 0.0000 | |
| 201 | Q | A | -1.1652 | |
| 202 | Y | A | 0.1281 | |
| 203 | S | A | -0.9129 | |
| 204 | K | A | -1.8798 | |
| 205 | P | A | -1.8556 | |
| 206 | E | A | -1.6679 | |
| 207 | N | A | -1.1500 | |
| 208 | C | A | 0.0000 | |
| 209 | R | A | -1.3462 | |
| 210 | L | A | -0.6887 | |
| 211 | S | A | 0.0000 | |
| 212 | M | A | 0.0000 | |
| 213 | G | A | 0.0000 | |
| 214 | I | A | -0.3411 | |
| 215 | R | A | -1.1323 | |
| 216 | P | A | -1.1057 | |
| 217 | N | A | -1.7232 | |
| 218 | S | A | -1.2151 | |
| 219 | H | A | -1.1229 | |
| 220 | Y | A | 0.0000 | |
| 221 | I | A | 0.0000 | |
| 222 | L | A | 0.0000 | |
| 223 | R | A | -0.4824 | |
| 224 | S | A | 0.0000 | |
| 225 | G | A | 0.0000 | |
| 226 | L | A | 0.0000 | |
| 227 | L | A | 0.0000 | |
| 228 | K | A | -0.8688 | |
| 229 | Y | A | 0.0000 | |
| 230 | N | A | -1.6838 | |
| 231 | L | A | -1.4858 | |
| 232 | S | A | -1.4785 | |
| 233 | D | A | -1.8949 | |
| 234 | G | A | -1.9393 | |
| 235 | E | A | -2.3735 | |
| 236 | N | A | -2.0284 | |
| 237 | P | A | 0.0000 | |
| 238 | K | A | -2.1582 | |
| 239 | V | A | 0.0000 | |
| 240 | V | A | -0.9316 | |
| 241 | F | A | 0.0000 | |
| 242 | I | A | 0.0000 | |
| 243 | E | A | -1.1155 | |
| 244 | I | A | 0.0000 | |
| 245 | S | A | -1.4133 | |
| 246 | D | A | -2.7068 | |
| 247 | Q | A | -2.4959 | |
| 248 | R | A | -2.1018 | |
| 249 | L | A | -1.5269 | |
| 250 | S | A | 0.0000 | |
| 251 | I | A | 0.0000 | |
| 252 | G | A | 0.0000 | |
| 253 | S | A | 0.0000 | |
| 254 | P | A | -0.0697 | |
| 255 | S | A | 0.0000 | |
| 256 | K | A | 0.0000 | |
| 257 | I | A | 0.0000 | |
| 258 | Y | A | 0.0000 | |
| 259 | D | A | -2.0325 | |
| 260 | S | A | 0.0000 | |
| 261 | L | A | 0.6943 | |
| 262 | G | A | -0.4626 | |
| 263 | Q | A | -0.7623 | |
| 264 | P | A | -0.9093 | |
| 265 | V | A | 0.0000 | |
| 266 | F | A | 0.0000 | |
| 267 | Y | A | 0.0000 | |
| 268 | Q | A | 0.0000 | |
| 269 | A | A | 0.0000 | |
| 270 | S | A | 0.0000 | |
| 271 | F | A | 0.0000 | |
| 272 | S | A | 0.0000 | |
| 273 | W | A | 0.0000 | |
| 274 | D | A | 0.0000 | |
| 275 | T | A | 0.0000 | |
| 276 | M | A | 0.2080 | |
| 277 | I | A | 0.0000 | |
| 278 | K | A | 0.0000 | |
| 279 | F | A | 0.0000 | |
| 280 | G | A | 0.0000 | |
| 281 | D | A | -0.6631 | |
| 282 | V | A | 0.0000 | |
| 283 | L | A | 0.9036 | |
| 284 | T | A | 0.2459 | |
| 285 | V | A | -0.2864 | |
| 286 | N | A | -1.2044 | |
| 287 | P | A | -0.7789 | |
| 288 | L | A | 0.0000 | |
| 289 | V | A | -0.1224 | |
| 290 | V | A | 0.0000 | |
| 291 | N | A | -1.3359 | |
| 292 | W | A | -1.1628 | |
| 293 | R | A | -1.5214 | |
| 294 | N | A | -1.9194 | |
| 295 | N | A | 0.0000 | |
| 296 | T | A | -0.7617 | |
| 297 | V | A | -0.3697 | |
| 298 | I | A | 0.0000 | |
| 299 | S | A | 0.0000 | |
| 300 | R | A | 0.0000 | |
| 301 | P | A | 0.0000 | |
| 302 | G | A | 0.0000 | |
| 303 | Q | A | -1.0753 | |
| 304 | S | A | -0.9955 | |
| 305 | Q | A | -1.0510 | |
| 306 | C | A | 0.0000 | |
| 307 | P | A | -0.8457 | |
| 308 | R | A | -0.6142 | |
| 309 | F | A | 0.9476 | |
| 310 | N | A | 0.0760 | |
| 311 | T | A | -0.0651 | |
| 312 | C | A | -0.4520 | |
| 313 | P | A | 0.0000 | |
| 314 | E | A | -0.6748 | |
| 315 | I | A | -0.4340 | |
| 316 | C | A | 0.0000 | |
| 317 | W | A | 0.0000 | |
| 318 | E | A | 0.0000 | |
| 319 | G | A | 0.0000 | |
| 320 | V | A | 0.0000 | |
| 321 | Y | A | 0.0000 | |
| 322 | N | A | 0.0000 | |
| 323 | D | A | 0.0000 | |
| 324 | A | A | 0.0000 | |
| 325 | F | A | 0.0000 | |
| 326 | L | A | 0.0000 | |
| 327 | I | A | 0.0000 | |
| 328 | D | A | 0.5397 | |
| 329 | R | A | 0.6044 | |
| 330 | I | A | 1.6079 | |
| 331 | N | A | 0.4552 | |
| 332 | W | A | 0.0000 | |
| 333 | I | A | 0.0000 | |
| 334 | S | A | 0.0000 | |
| 335 | A | A | 0.0000 | |
| 336 | G | A | 0.0000 | |
| 337 | V | A | 0.0000 | |
| 338 | F | A | 0.0000 | |
| 339 | L | A | 0.0000 | |
| 340 | D | A | -1.7743 | |
| 341 | S | A | -1.7742 | |
| 342 | N | A | -1.6671 | |
| 343 | Q | A | -1.7481 | |
| 344 | T | A | 0.0000 | |
| 345 | A | A | 0.0000 | |
| 346 | E | A | -1.7696 | |
| 347 | N | A | 0.0000 | |
| 348 | P | A | 0.0000 | |
| 349 | V | A | 0.0000 | |
| 350 | F | A | 0.0000 | |
| 351 | T | A | 0.0000 | |
| 352 | V | A | 0.0000 | |
| 353 | F | A | 0.0000 | |
| 354 | K | A | -1.6985 | |
| 355 | D | A | -1.8337 | |
| 356 | N | A | -2.1853 | |
| 357 | E | A | -2.2019 | |
| 358 | I | A | -1.2478 | |
| 359 | L | A | 0.0000 | |
| 360 | Y | A | 0.0000 | |
| 361 | R | A | -2.4251 | |
| 362 | A | A | 0.0000 | |
| 363 | Q | A | -1.6437 | |
| 364 | L | A | -0.7610 | |
| 365 | A | A | -1.0874 | |
| 366 | S | A | -1.9020 | |
| 367 | E | A | -3.0820 | |
| 368 | D | A | -3.0679 | |
| 369 | T | A | 0.0000 | |
| 370 | N | A | 0.0000 | |
| 371 | A | A | 0.0000 | |
| 372 | Q | A | -0.3567 | |
| 373 | K | A | -0.4123 | |
| 374 | T | A | 0.0000 | |
| 375 | I | A | 0.0000 | |
| 376 | T | A | 0.0000 | |
| 377 | N | A | 0.0000 | |
| 378 | C | A | 0.4924 | |
| 379 | F | A | 0.5746 | |
| 380 | L | A | 0.7185 | |
| 381 | L | A | -0.8609 | |
| 382 | K | A | -2.3507 | |
| 383 | N | A | -1.7023 | |
| 384 | K | A | -1.6055 | |
| 385 | I | A | -0.2642 | |
| 386 | W | A | 0.0000 | |
| 387 | C | A | 0.0000 | |
| 388 | I | A | 0.0000 | |
| 389 | S | A | 0.0000 | |
| 390 | L | A | 0.0000 | |
| 391 | V | A | 0.0000 | |
| 392 | E | A | 0.0000 | |
| 393 | I | A | 0.0000 | |
| 394 | Y | A | 0.0000 | |
| 395 | D | A | -1.7447 | |
| 396 | T | A | -1.6513 | |
| 397 | G | A | -1.7409 | |
| 398 | D | A | -2.3689 | |
| 399 | N | A | -1.8846 | |
| 400 | V | A | -0.7251 | |
| 401 | I | A | 0.0000 | |
| 402 | R | A | -0.5295 | |
| 403 | P | A | 0.0000 | |
| 404 | K | A | 0.0725 | |
| 405 | L | A | 0.0000 | |
| 406 | F | A | 0.0000 | |
| 407 | A | A | 0.0000 | |
| 408 | V | A | 0.0000 | |
| 409 | K | A | -1.5230 | |
| 410 | I | A | 0.0000 | |
| 411 | P | A | -1.6634 | |
| 412 | E | A | -2.2700 | |
| 413 | Q | A | -2.1168 | |
| 414 | C | A | -1.7194 | |
| 415 | T | A | -1.5862 | |
| 416 | H | A | -1.8115 | |
| 1 | T | B | -0.8960 | |
| 2 | T | B | -0.8085 | |
| 3 | T | B | -0.5264 | |
| 4 | V | B | -0.4671 | |
| 5 | K | B | -1.6875 | |
| 6 | T | B | -1.1809 | |
| 7 | R | B | -0.7554 | |
| 8 | T | B | 0.0000 | |
| 9 | G | B | 0.0000 | |
| 10 | F | B | 0.0000 | |
| 11 | E | B | -1.0589 | |
| 12 | V | B | 0.0000 | |
| 13 | T | B | -0.7644 | |
| 14 | Q | B | 0.0000 | |
| 15 | D | B | -2.4948 | |
| 16 | G | B | -2.5907 | |
| 17 | N | B | -3.0109 | |
| 18 | T | B | -1.9860 | |
| 19 | L | B | 0.0000 | |
| 20 | T | B | -0.5635 | |
| 21 | V | B | 0.0000 | |
| 22 | T | B | -0.4719 | |
| 23 | V | B | 0.0000 | |
| 24 | T | B | -0.9439 | |
| 25 | E | B | -0.8184 | |
| 26 | T | B | -0.7477 | |
| 27 | G | B | -0.6316 | |
| 28 | V | B | -0.4485 | |
| 29 | T | B | -0.2375 | |
| 30 | A | B | -0.0408 | |
| 31 | T | B | -0.1180 | |
| 32 | V | B | -0.9248 | |
| 33 | D | B | -1.9690 | |
| 34 | V | B | 0.0000 | |
| 35 | K | B | -2.9215 | |
| 36 | G | B | -2.4852 | |
| 37 | Q | B | -3.1367 | |
| 38 | K | B | -3.7366 | |
| 39 | L | B | 0.0000 | |
| 40 | K | B | -3.1395 | |
| 41 | S | B | -1.4011 | |
| 42 | V | B | -0.7169 | |
| 43 | R | B | -0.8878 | |
| 44 | G | B | 0.0000 | |
| 45 | S | B | 0.0000 | |
| 46 | L | B | 0.0000 | |
| 47 | P | B | 0.0000 | |
| 48 | M | B | 0.0000 | |
| 49 | F | B | 0.4420 | |
| 50 | P | B | 0.0000 | |
| 51 | S | B | 0.0000 | |
| 52 | V | B | 0.0000 | |
| 53 | Q | B | 0.0000 | |
| 54 | V | B | 0.0000 | |
| 55 | T | B | 0.0000 | |
| 56 | I | B | 0.0000 | |
| 57 | T | B | -1.7443 | |
| 58 | F | B | 0.0000 | |
| 59 | D | B | -3.9559 | |
| 60 | D | B | -3.5423 | |
| 61 | G | B | -2.4794 | |
| 62 | T | B | -1.7853 | |
| 63 | E | B | -1.5294 | |
| 64 | Y | B | 0.0000 | |
| 65 | R | B | -0.8912 | |
| 66 | A | B | 0.0000 | |
| 67 | S | B | -0.5939 | |
| 68 | Y | B | 0.0000 | |
| 69 | N | B | -1.1029 | |
| 70 | L | B | -0.6498 | |
| 71 | L | B | -0.5702 | |
| 72 | T | B | -1.2437 | |
| 73 | N | B | -1.9773 | |
| 74 | E | B | -2.3081 | |
| 75 | L | B | -0.9730 | |
| 76 | T | B | -0.8314 | |
| 77 | V | B | -0.6414 | |
| 78 | E | B | -1.8273 | |
| 79 | K | B | -1.7493 | |
| 80 | L | B | 0.1345 |
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