| Chain sequence(s) |
A: MLGTVKMEGHETSDWNSYYADTQEAYSSVPVSNMNSGLGSMNSMNTYMTMNTMTTSGNMTPASFNMSYANPGLGAGLSPGAVAGMPGGSAGAMNSMTAAGVTAMGTALSPSGMGAMGAQQAASMNGLGPYAAAMNPCMSPMAYAPSNLGRSRAGGGGDAKTFKRSYPHAKPPYSYISLITMAIQQAPSKMLTLSEIYQWIMDLFPYYRQNQQRWQNSIRHSLSFNDCFVKVARSPDKPGKGSYWTLHPDSGNMFENGCYLRRQKRFKCEKQPGAGGGGGSGSGGSGAKGGPESRKDPSGASNPSADSPLHRGVHGKTGQLEGAPAPGPAASPQTLDHSGATATGGASELKTPASSTAPPISSGPGALASVPASHPAHGLAPHESQLHLKGDPHYSFNHPFSINNLMSSSEQQHKLDFKAYEQALQYSPYGSTLPASLPLGSASVTTRSPIEPSALEPAYYQGVYSRPVLNTS
input PDB |
| Selected Chain(s) | A |
| 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] (00:00:00)
[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] Analysis: Starting Aggrescan3D on folded.pdb (00:03:57)
[INFO] Main: Simulation completed successfully. (00:04:02)
|
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 | 1.6767 | |
| 2 | L | A | 1.9728 | |
| 3 | G | A | 0.8973 | |
| 4 | T | A | 0.6691 | |
| 5 | V | A | 1.0382 | |
| 6 | K | A | -0.9545 | |
| 7 | M | A | -0.4341 | |
| 8 | E | A | -2.2261 | |
| 9 | G | A | -2.2738 | |
| 10 | H | A | -2.4337 | |
| 11 | E | A | -2.9706 | |
| 12 | T | A | -1.5497 | |
| 13 | S | A | -1.7332 | |
| 14 | D | A | -1.8207 | |
| 15 | W | A | 0.1353 | |
| 16 | N | A | -0.6556 | |
| 17 | S | A | -0.2704 | |
| 18 | Y | A | 1.0935 | |
| 19 | Y | A | 1.0199 | |
| 20 | A | A | -0.7594 | |
| 21 | D | A | -1.9551 | |
| 22 | T | A | -1.2966 | |
| 23 | Q | A | -2.1132 | |
| 24 | E | A | -2.4975 | |
| 25 | A | A | -0.8718 | |
| 26 | Y | A | 0.6057 | |
| 27 | S | A | 0.2051 | |
| 28 | S | A | 0.8855 | |
| 29 | V | A | 2.0853 | |
| 30 | P | A | 1.1728 | |
| 31 | V | A | 1.8147 | |
| 32 | S | A | 0.2740 | |
| 33 | N | A | -0.8207 | |
| 34 | M | A | -0.1010 | |
| 35 | N | A | -1.3114 | |
| 36 | S | A | -0.6076 | |
| 37 | G | A | 0.0545 | |
| 38 | L | A | 0.9738 | |
| 39 | G | A | 0.3035 | |
| 40 | S | A | 0.1128 | |
| 41 | M | A | 0.2832 | |
| 42 | N | A | -0.6851 | |
| 43 | S | A | -0.2632 | |
| 44 | M | A | 0.1427 | |
| 45 | N | A | -0.5748 | |
| 46 | T | A | 0.3661 | |
| 47 | Y | A | 1.5705 | |
| 48 | M | A | 1.9511 | |
| 49 | T | A | 0.9639 | |
| 50 | M | A | 0.6177 | |
| 51 | N | A | -0.5750 | |
| 52 | T | A | -0.0484 | |
| 53 | M | A | 0.6643 | |
| 54 | T | A | 0.2213 | |
| 55 | T | A | -0.0881 | |
| 56 | S | A | -0.7812 | |
| 57 | G | A | -0.9478 | |
| 58 | N | A | -1.0539 | |
| 59 | M | A | 0.2287 | |
| 60 | T | A | 0.0066 | |
| 61 | P | A | 0.1715 | |
| 62 | A | A | 0.2394 | |
| 63 | S | A | 0.5217 | |
| 64 | F | A | 1.4547 | |
| 65 | N | A | 0.0975 | |
| 66 | M | A | 1.1357 | |
| 67 | S | A | 0.8765 | |
| 68 | Y | A | 1.1435 | |
| 69 | A | A | 0.1127 | |
| 70 | N | A | -1.1589 | |
| 71 | P | A | -0.6743 | |
| 72 | G | A | -0.2438 | |
| 73 | L | A | 0.9667 | |
| 74 | G | A | 0.2169 | |
| 75 | A | A | 0.2291 | |
| 76 | G | A | 0.3128 | |
| 77 | L | A | 1.1727 | |
| 78 | S | A | 0.3198 | |
| 79 | P | A | -0.2491 | |
| 80 | G | A | -0.2413 | |
| 81 | A | A | 0.5837 | |
| 82 | V | A | 1.6470 | |
| 83 | A | A | 1.0215 | |
| 84 | G | A | 0.4283 | |
| 85 | M | A | 0.6096 | |
| 86 | P | A | -0.1716 | |
| 87 | G | A | -0.6963 | |
| 88 | G | A | -0.8649 | |
| 89 | S | A | -0.5887 | |
| 90 | A | A | -0.3486 | |
| 91 | G | A | -0.2337 | |
| 92 | A | A | 0.0853 | |
| 93 | M | A | 0.3253 | |
| 94 | N | A | -0.6533 | |
| 95 | S | A | -0.2074 | |
| 96 | M | A | 0.6655 | |
| 97 | T | A | 0.4945 | |
| 98 | A | A | 0.1663 | |
| 99 | A | A | 0.2479 | |
| 100 | G | A | 0.5148 | |
| 101 | V | A | 1.5131 | |
| 102 | T | A | 0.9011 | |
| 103 | A | A | 0.8100 | |
| 104 | M | A | 0.7840 | |
| 105 | G | A | 0.1224 | |
| 106 | T | A | 0.3097 | |
| 107 | A | A | 0.6861 | |
| 108 | L | A | 1.4073 | |
| 109 | S | A | 0.3547 | |
| 110 | P | A | -0.2451 | |
| 111 | S | A | -0.4053 | |
| 112 | G | A | -0.2199 | |
| 113 | M | A | 0.5444 | |
| 114 | G | A | 0.2578 | |
| 115 | A | A | 0.4433 | |
| 116 | M | A | 0.7331 | |
| 117 | G | A | -0.0476 | |
| 118 | A | A | -0.7658 | |
| 119 | Q | A | -1.9288 | |
| 120 | Q | A | -1.8271 | |
| 121 | A | A | -0.7984 | |
| 122 | A | A | -0.0412 | |
| 123 | S | A | 0.0786 | |
| 124 | M | A | 0.2471 | |
| 125 | N | A | -0.7405 | |
| 126 | G | A | -0.1752 | |
| 127 | L | A | 0.7791 | |
| 128 | G | A | 0.3497 | |
| 129 | P | A | 0.4763 | |
| 130 | Y | A | 1.1351 | |
| 131 | A | A | 0.7243 | |
| 132 | A | A | 0.6279 | |
| 133 | A | A | 0.3812 | |
| 134 | M | A | 0.3845 | |
| 135 | N | A | -0.7088 | |
| 136 | P | A | -0.1186 | |
| 137 | C | A | 0.8645 | |
| 138 | M | A | 1.2021 | |
| 139 | S | A | 0.6167 | |
| 140 | P | A | 0.3880 | |
| 141 | M | A | 1.1667 | |
| 142 | A | A | 1.1620 | |
| 143 | Y | A | 1.5202 | |
| 144 | A | A | 0.5457 | |
| 145 | P | A | -0.2154 | |
| 146 | S | A | -0.6167 | |
| 147 | N | A | -0.7823 | |
| 148 | L | A | 0.2215 | |
| 149 | G | A | -1.1681 | |
| 150 | R | A | -2.3102 | |
| 151 | S | A | -2.0041 | |
| 152 | R | A | -2.5284 | |
| 153 | A | A | -1.3067 | |
| 154 | G | A | -1.3045 | |
| 155 | G | A | -1.2439 | |
| 156 | G | A | -1.7320 | |
| 157 | G | A | -2.1601 | |
| 158 | D | A | -2.4398 | |
| 159 | A | A | -1.7034 | |
| 160 | K | A | -2.6061 | |
| 161 | T | A | -1.4869 | |
| 162 | F | A | 0.0500 | |
| 163 | K | A | -2.0142 | |
| 164 | R | A | -2.2414 | |
| 165 | S | A | -0.6680 | |
| 166 | Y | A | 0.0909 | |
| 167 | P | A | -0.8061 | |
| 168 | H | A | -1.1128 | |
| 169 | A | A | -0.7805 | |
| 170 | K | A | -1.5678 | |
| 171 | P | A | 0.0000 | |
| 172 | P | A | -0.2752 | |
| 173 | Y | A | 0.4686 | |
| 174 | S | A | 0.4069 | |
| 175 | Y | A | 0.3846 | |
| 176 | I | A | 0.6608 | |
| 177 | S | A | 0.0000 | |
| 178 | L | A | 0.0000 | |
| 179 | I | A | 0.0000 | |
| 180 | T | A | 0.0000 | |
| 181 | M | A | -0.1788 | |
| 182 | A | A | 0.0000 | |
| 183 | I | A | 0.0000 | |
| 184 | Q | A | -1.4941 | |
| 185 | Q | A | -1.6608 | |
| 186 | A | A | 0.0000 | |
| 187 | P | A | -1.1706 | |
| 188 | S | A | -1.2274 | |
| 189 | K | A | -1.9611 | |
| 190 | M | A | -0.7904 | |
| 191 | L | A | -0.4769 | |
| 192 | T | A | 0.0000 | |
| 193 | L | A | -0.4637 | |
| 194 | S | A | -0.9033 | |
| 195 | E | A | -1.1343 | |
| 196 | I | A | 0.0000 | |
| 197 | Y | A | -0.9911 | |
| 198 | Q | A | -1.5774 | |
| 199 | W | A | -0.9684 | |
| 200 | I | A | 0.0000 | |
| 201 | M | A | -1.2890 | |
| 202 | D | A | -1.6157 | |
| 203 | L | A | -0.0258 | |
| 204 | F | A | -0.5128 | |
| 205 | P | A | -0.9187 | |
| 206 | Y | A | -1.1447 | |
| 207 | Y | A | 0.0000 | |
| 208 | R | A | -2.5450 | |
| 209 | Q | A | -2.9289 | |
| 210 | N | A | -3.2042 | |
| 211 | Q | A | -3.1586 | |
| 212 | Q | A | -3.2772 | |
| 213 | R | A | -3.5473 | |
| 214 | W | A | 0.0000 | |
| 215 | Q | A | -2.2815 | |
| 216 | N | A | -2.8314 | |
| 217 | S | A | -1.6797 | |
| 218 | I | A | 0.0000 | |
| 219 | R | A | -1.3373 | |
| 220 | H | A | -0.7767 | |
| 221 | S | A | 0.0000 | |
| 222 | L | A | 0.0000 | |
| 223 | S | A | 0.0509 | |
| 224 | F | A | 1.3625 | |
| 225 | N | A | 0.0383 | |
| 226 | D | A | -0.9979 | |
| 227 | C | A | 0.0000 | |
| 228 | F | A | 0.0000 | |
| 229 | V | A | -0.0930 | |
| 230 | K | A | -1.1270 | |
| 231 | V | A | -0.0900 | |
| 232 | A | A | -0.2749 | |
| 233 | R | A | -1.4562 | |
| 234 | S | A | -1.3940 | |
| 235 | P | A | -1.7600 | |
| 236 | D | A | -2.6869 | |
| 237 | K | A | -2.6485 | |
| 238 | P | A | -2.0514 | |
| 239 | G | A | -2.1618 | |
| 240 | K | A | -2.3273 | |
| 241 | G | A | -1.5111 | |
| 242 | S | A | -0.7585 | |
| 243 | Y | A | -0.3900 | |
| 244 | W | A | -0.1037 | |
| 245 | T | A | -0.2948 | |
| 246 | L | A | -0.6218 | |
| 247 | H | A | -0.8801 | |
| 248 | P | A | -1.3120 | |
| 249 | D | A | -2.1916 | |
| 250 | S | A | 0.0000 | |
| 251 | G | A | -1.8967 | |
| 252 | N | A | -2.6009 | |
| 253 | M | A | -1.4976 | |
| 254 | F | A | 0.0000 | |
| 255 | E | A | -2.9061 | |
| 256 | N | A | -2.4692 | |
| 257 | G | A | -1.2999 | |
| 258 | C | A | -0.2769 | |
| 259 | Y | A | 0.3747 | |
| 260 | L | A | 0.7228 | |
| 261 | R | A | -1.7047 | |
| 262 | R | A | -2.1134 | |
| 263 | Q | A | -2.8227 | |
| 264 | K | A | -3.6571 | |
| 265 | R | A | -3.5968 | |
| 266 | F | A | -2.5487 | |
| 267 | K | A | -3.1194 | |
| 268 | C | A | -2.8034 | |
| 269 | E | A | -3.4462 | |
| 270 | K | A | -3.5072 | |
| 271 | Q | A | -2.8370 | |
| 272 | P | A | -1.8302 | |
| 273 | G | A | -1.4014 | |
| 274 | A | A | -1.1588 | |
| 275 | G | A | -1.1300 | |
| 276 | G | A | -1.1388 | |
| 277 | G | A | -1.1477 | |
| 278 | G | A | -1.1379 | |
| 279 | G | A | -1.1002 | |
| 280 | S | A | -0.8582 | |
| 281 | G | A | -0.9480 | |
| 282 | S | A | -0.8905 | |
| 283 | G | A | -1.0448 | |
| 284 | G | A | -1.0464 | |
| 285 | S | A | -0.8028 | |
| 286 | G | A | -1.0521 | |
| 287 | A | A | -1.1375 | |
| 288 | K | A | -2.1298 | |
| 289 | G | A | -1.5590 | |
| 290 | G | A | -1.6684 | |
| 291 | P | A | -1.7467 | |
| 292 | E | A | -2.4936 | |
| 293 | S | A | -2.3557 | |
| 294 | R | A | -3.6198 | |
| 295 | K | A | -3.6782 | |
| 296 | D | A | -3.1527 | |
| 297 | P | A | -1.6549 | |
| 298 | S | A | -0.9423 | |
| 299 | G | A | -0.6658 | |
| 300 | A | A | -0.5943 | |
| 301 | S | A | -0.9392 | |
| 302 | N | A | -1.5281 | |
| 303 | P | A | -0.9927 | |
| 304 | S | A | -0.9518 | |
| 305 | A | A | -1.0280 | |
| 306 | D | A | -1.9598 | |
| 307 | S | A | -0.8635 | |
| 308 | P | A | -0.1620 | |
| 309 | L | A | 0.5489 | |
| 310 | H | A | -1.2374 | |
| 311 | R | A | -1.8291 | |
| 312 | G | A | -0.8313 | |
| 313 | V | A | 0.5682 | |
| 314 | H | A | -0.8599 | |
| 315 | G | A | -1.4620 | |
| 316 | K | A | -2.2575 | |
| 317 | T | A | -1.5585 | |
| 318 | G | A | -1.2039 | |
| 319 | Q | A | -1.1158 | |
| 320 | L | A | -0.2014 | |
| 321 | E | A | -1.4478 | |
| 322 | G | A | -1.0884 | |
| 323 | A | A | -0.6431 | |
| 324 | P | A | -0.3495 | |
| 325 | A | A | -0.2877 | |
| 326 | P | A | -0.5606 | |
| 327 | G | A | -0.6944 | |
| 328 | P | A | -0.5057 | |
| 329 | A | A | -0.1702 | |
| 330 | A | A | -0.1263 | |
| 331 | S | A | -0.5783 | |
| 332 | P | A | -0.9599 | |
| 333 | Q | A | -1.0878 | |
| 334 | T | A | -0.4161 | |
| 335 | L | A | 0.0317 | |
| 336 | D | A | -1.4531 | |
| 337 | H | A | -1.7117 | |
| 338 | S | A | -1.2889 | |
| 339 | G | A | -0.7918 | |
| 340 | A | A | -0.2305 | |
| 341 | T | A | -0.1222 | |
| 342 | A | A | -0.0968 | |
| 343 | T | A | -0.3796 | |
| 344 | G | A | -0.7013 | |
| 345 | G | A | -0.7163 | |
| 346 | A | A | -0.7910 | |
| 347 | S | A | -0.9787 | |
| 348 | E | A | -1.5539 | |
| 349 | L | A | -0.3114 | |
| 350 | K | A | -1.3077 | |
| 351 | T | A | -0.6861 | |
| 352 | P | A | -0.6774 | |
| 353 | A | A | -0.2315 | |
| 354 | S | A | -0.3693 | |
| 355 | S | A | -0.3444 | |
| 356 | T | A | -0.2507 | |
| 357 | A | A | -0.2181 | |
| 358 | P | A | 0.0350 | |
| 359 | P | A | 0.5412 | |
| 360 | I | A | 1.6865 | |
| 361 | S | A | 0.5229 | |
| 362 | S | A | -0.1398 | |
| 363 | G | A | -0.8307 | |
| 364 | P | A | -0.5777 | |
| 365 | G | A | -0.2969 | |
| 366 | A | A | 0.4896 | |
| 367 | L | A | 1.4199 | |
| 368 | A | A | 1.0921 | |
| 369 | S | A | 0.9858 | |
| 370 | V | A | 1.5509 | |
| 371 | P | A | 0.5229 | |
| 372 | A | A | -0.0323 | |
| 373 | S | A | -0.6072 | |
| 374 | H | A | -1.3059 | |
| 375 | P | A | -1.0744 | |
| 376 | A | A | -0.7437 | |
| 377 | H | A | -0.9378 | |
| 378 | G | A | -0.2292 | |
| 379 | L | A | 0.8963 | |
| 380 | A | A | 0.0134 | |
| 381 | P | A | -0.9205 | |
| 382 | H | A | -1.9628 | |
| 383 | E | A | -2.6013 | |
| 384 | S | A | -1.6822 | |
| 385 | Q | A | -1.2177 | |
| 386 | L | A | 0.4531 | |
| 387 | H | A | -0.3192 | |
| 388 | L | A | 0.2256 | |
| 389 | K | A | -1.6285 | |
| 390 | G | A | -2.1141 | |
| 391 | D | A | -2.4040 | |
| 392 | P | A | -1.3729 | |
| 393 | H | A | -0.7390 | |
| 394 | Y | A | 0.8332 | |
| 395 | S | A | 0.4008 | |
| 396 | F | A | 1.4914 | |
| 397 | N | A | -0.3112 | |
| 398 | H | A | -0.0036 | |
| 399 | P | A | 0.5178 | |
| 400 | F | A | 2.2428 | |
| 401 | S | A | 1.5909 | |
| 402 | I | A | 2.3740 | |
| 403 | N | A | 0.3925 | |
| 404 | N | A | 0.7373 | |
| 405 | L | A | 1.8400 | |
| 406 | M | A | 1.0770 | |
| 407 | S | A | -0.5894 | |
| 408 | S | A | -1.0149 | |
| 409 | S | A | -1.7009 | |
| 410 | E | A | -3.0489 | |
| 411 | Q | A | -3.3241 | |
| 412 | Q | A | -3.2790 | |
| 413 | H | A | -3.4207 | |
| 414 | K | A | -3.2943 | |
| 415 | L | A | -1.8820 | |
| 416 | D | A | -2.2583 | |
| 417 | F | A | -0.5543 | |
| 418 | K | A | -2.0371 | |
| 419 | A | A | -0.8499 | |
| 420 | Y | A | 0.1615 | |
| 421 | E | A | -1.5613 | |
| 422 | Q | A | -1.2753 | |
| 423 | A | A | -0.0184 | |
| 424 | L | A | 0.7825 | |
| 425 | Q | A | -0.4500 | |
| 426 | Y | A | 0.6706 | |
| 427 | S | A | 0.5762 | |
| 428 | P | A | 0.3123 | |
| 429 | Y | A | 0.8681 | |
| 430 | G | A | 0.0183 | |
| 431 | S | A | 0.0983 | |
| 432 | T | A | 0.4133 | |
| 433 | L | A | 1.3618 | |
| 434 | P | A | 0.4528 | |
| 435 | A | A | 0.4823 | |
| 436 | S | A | 0.5715 | |
| 437 | L | A | 1.6224 | |
| 438 | P | A | 1.0902 | |
| 439 | L | A | 1.4525 | |
| 440 | G | A | 0.1232 | |
| 441 | S | A | -0.1615 | |
| 442 | A | A | 0.1254 | |
| 443 | S | A | 0.6217 | |
| 444 | V | A | 1.4399 | |
| 445 | T | A | 0.4550 | |
| 446 | T | A | -0.8046 | |
| 447 | R | A | -1.8734 | |
| 448 | S | A | -0.8510 | |
| 449 | P | A | -0.2421 | |
| 450 | I | A | 0.7979 | |
| 451 | E | A | -0.9403 | |
| 452 | P | A | -0.6074 | |
| 453 | S | A | -0.3976 | |
| 454 | A | A | 0.2000 | |
| 455 | L | A | 0.5703 | |
| 456 | E | A | -1.0049 | |
| 457 | P | A | -0.1890 | |
| 458 | A | A | 0.3360 | |
| 459 | Y | A | 1.3087 | |
| 460 | Y | A | 1.4329 | |
| 461 | Q | A | 0.0941 | |
| 462 | G | A | 0.6651 | |
| 463 | V | A | 1.8474 | |
| 464 | Y | A | 1.2503 | |
| 465 | S | A | 0.0288 | |
| 466 | R | A | -0.8353 | |
| 467 | P | A | 0.1348 | |
| 468 | V | A | 1.5412 | |
| 469 | L | A | 1.4363 | |
| 470 | N | A | -0.1472 | |
| 471 | T | A | -0.1541 | |
| 472 | S | A | -0.3862 |
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