| Chain sequence(s) |
A: AGEGDQQDAAHNMGNHLPLLPAESEEEDEMEVEDQDSKEAKKPNIINFDTSLPTSHTYLGADMEEFHGRTLHDDDSCQVIPVLPQVMMILIPGQTLPLQLFHPQEVSMVRNLIQKDRTFAVLAYSNVQEREAQFGTTAEIYAYREEQDFGIEIVKVKAIGRQRFKVLELRTQSDGIQQAKVQILPECVLPSTMSAVQLESLNKCQIFPSKPVSREDQCSYKWWQKYQKRKFHCANLTSWPRWLYSLYDAETLMDRIKKQLREWDENLKDDSLPSNPIDFSYRVAACLPIDDVLRIQLLKIGSAIQRLRCELDIMNKCTSLCCKQCQETEITTKNEIFSLSLCGPMAAYVNPHGYVHETLTVYKACNLNLIGRPSTEHSWFPGYAWTVAQCKICASHIGWKFTATKKDMSPQKFWGLTRSALLPTIPDTEDEISPDKVILCL
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 (00:00:01)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:10:27)
[INFO] Main: Simulation completed successfully. (00:10:32)
|
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 | A | A | -0.6701 | |
| 2 | G | A | -1.6762 | |
| 3 | E | A | -2.8647 | |
| 4 | G | A | -2.7970 | |
| 5 | D | A | -3.8575 | |
| 6 | Q | A | -3.4522 | |
| 7 | Q | A | -3.3921 | |
| 8 | D | A | -3.3287 | |
| 9 | A | A | -2.1664 | |
| 10 | A | A | -1.7969 | |
| 11 | H | A | -2.3349 | |
| 12 | N | A | -1.6714 | |
| 13 | M | A | 0.0000 | |
| 14 | G | A | -0.4603 | |
| 15 | N | A | -0.7019 | |
| 16 | H | A | -0.4564 | |
| 17 | L | A | 1.3523 | |
| 18 | P | A | 1.3761 | |
| 19 | L | A | 2.4365 | |
| 20 | L | A | 2.0878 | |
| 21 | P | A | 0.3890 | |
| 22 | A | A | -0.6469 | |
| 23 | E | A | -2.3214 | |
| 24 | S | A | -2.6769 | |
| 25 | E | A | -3.8712 | |
| 26 | E | A | -4.5122 | |
| 27 | E | A | -4.4309 | |
| 28 | D | A | -4.1432 | |
| 29 | E | A | -3.2264 | |
| 30 | M | A | -1.3637 | |
| 31 | E | A | -1.8931 | |
| 32 | V | A | -0.7219 | |
| 33 | E | A | -2.6492 | |
| 34 | D | A | -2.6710 | |
| 35 | Q | A | -2.6401 | |
| 36 | D | A | -2.3698 | |
| 37 | S | A | -2.5433 | |
| 38 | K | A | -3.2294 | |
| 39 | E | A | -3.3271 | |
| 40 | A | A | -2.4935 | |
| 41 | K | A | -3.0150 | |
| 42 | K | A | -1.8213 | |
| 43 | P | A | -0.9600 | |
| 44 | N | A | -1.0199 | |
| 45 | I | A | 0.8426 | |
| 46 | I | A | 0.0250 | |
| 47 | N | A | -1.2592 | |
| 48 | F | A | 0.0000 | |
| 49 | D | A | -1.5795 | |
| 50 | T | A | -0.3037 | |
| 51 | S | A | 0.0909 | |
| 52 | L | A | 0.1728 | |
| 53 | P | A | 0.0000 | |
| 54 | T | A | 0.4572 | |
| 55 | S | A | 0.1382 | |
| 56 | H | A | 0.0000 | |
| 57 | T | A | -0.2084 | |
| 58 | Y | A | -0.1708 | |
| 59 | L | A | 0.0000 | |
| 60 | G | A | -0.6404 | |
| 61 | A | A | -1.1364 | |
| 62 | D | A | -2.5678 | |
| 63 | M | A | -2.4756 | |
| 64 | E | A | -3.2362 | |
| 65 | E | A | -3.0706 | |
| 66 | F | A | -1.7652 | |
| 67 | H | A | -1.8902 | |
| 68 | G | A | -2.0394 | |
| 69 | R | A | -2.2280 | |
| 70 | T | A | -1.1076 | |
| 71 | L | A | -0.4953 | |
| 72 | H | A | -1.3564 | |
| 73 | D | A | -2.9624 | |
| 74 | D | A | -3.4751 | |
| 75 | D | A | -3.1178 | |
| 76 | S | A | -1.9121 | |
| 77 | C | A | -0.3368 | |
| 78 | Q | A | 0.1999 | |
| 79 | V | A | 1.1758 | |
| 80 | I | A | 0.0000 | |
| 81 | P | A | -0.1711 | |
| 82 | V | A | 0.0000 | |
| 83 | L | A | 0.0000 | |
| 84 | P | A | -0.9377 | |
| 85 | Q | A | -0.9792 | |
| 86 | V | A | 0.0000 | |
| 87 | M | A | 0.2858 | |
| 88 | M | A | 0.0000 | |
| 89 | I | A | 0.0000 | |
| 90 | L | A | 0.0000 | |
| 91 | I | A | 0.0000 | |
| 92 | P | A | 0.0000 | |
| 93 | G | A | -0.8988 | |
| 94 | Q | A | 0.0000 | |
| 95 | T | A | 0.0230 | |
| 96 | L | A | 0.0000 | |
| 97 | P | A | 0.0000 | |
| 98 | L | A | 0.0000 | |
| 99 | Q | A | 0.0000 | |
| 100 | L | A | 0.0000 | |
| 101 | F | A | -0.0017 | |
| 102 | H | A | -0.9145 | |
| 103 | P | A | -0.8451 | |
| 104 | Q | A | -1.6234 | |
| 105 | E | A | 0.0000 | |
| 106 | V | A | 0.0000 | |
| 107 | S | A | -1.0348 | |
| 108 | M | A | 0.0000 | |
| 109 | V | A | 0.0000 | |
| 110 | R | A | -1.7129 | |
| 111 | N | A | -2.1329 | |
| 112 | L | A | 0.0000 | |
| 113 | I | A | -1.4235 | |
| 114 | Q | A | -2.4914 | |
| 115 | K | A | -2.8812 | |
| 116 | D | A | -2.1945 | |
| 117 | R | A | -1.6112 | |
| 118 | T | A | 0.0000 | |
| 119 | F | A | 0.0000 | |
| 120 | A | A | 0.0000 | |
| 121 | V | A | 0.0000 | |
| 122 | L | A | 0.0000 | |
| 123 | A | A | 0.0000 | |
| 124 | Y | A | 0.0000 | |
| 125 | S | A | -1.0882 | |
| 126 | N | A | -1.8885 | |
| 127 | V | A | -1.2034 | |
| 128 | Q | A | -2.4530 | |
| 129 | E | A | -3.4245 | |
| 130 | R | A | -3.1249 | |
| 131 | E | A | -3.0862 | |
| 132 | A | A | 0.0000 | |
| 133 | Q | A | -0.9948 | |
| 134 | F | A | -0.5178 | |
| 135 | G | A | 0.0000 | |
| 136 | T | A | 0.0000 | |
| 137 | T | A | 0.0000 | |
| 138 | A | A | 0.0000 | |
| 139 | E | A | 0.0000 | |
| 140 | I | A | 0.0000 | |
| 141 | Y | A | -0.9581 | |
| 142 | A | A | 0.0000 | |
| 143 | Y | A | 0.0000 | |
| 144 | R | A | -2.1630 | |
| 145 | E | A | -2.3991 | |
| 146 | E | A | -1.8248 | |
| 147 | Q | A | -1.8012 | |
| 148 | D | A | -1.0419 | |
| 149 | F | A | 1.0591 | |
| 150 | G | A | 0.1440 | |
| 151 | I | A | 0.5576 | |
| 152 | E | A | -1.1358 | |
| 153 | I | A | -1.0490 | |
| 154 | V | A | 0.0000 | |
| 155 | K | A | -0.6639 | |
| 156 | V | A | 0.0000 | |
| 157 | K | A | -0.3419 | |
| 158 | A | A | 0.0000 | |
| 159 | I | A | 0.1815 | |
| 160 | G | A | 0.0000 | |
| 161 | R | A | -0.6193 | |
| 162 | Q | A | -0.6662 | |
| 163 | R | A | 0.0000 | |
| 164 | F | A | 0.0000 | |
| 165 | K | A | -1.0086 | |
| 166 | V | A | 0.0000 | |
| 167 | L | A | 0.1526 | |
| 168 | E | A | -0.9886 | |
| 169 | L | A | -0.8874 | |
| 170 | R | A | -2.2316 | |
| 171 | T | A | -1.8991 | |
| 172 | Q | A | -2.2136 | |
| 173 | S | A | -1.8554 | |
| 174 | D | A | -2.5927 | |
| 175 | G | A | -2.1165 | |
| 176 | I | A | 0.0000 | |
| 177 | Q | A | -1.5677 | |
| 178 | Q | A | -0.9748 | |
| 179 | A | A | 0.0000 | |
| 180 | K | A | -0.5324 | |
| 181 | V | A | 0.0000 | |
| 182 | Q | A | -1.1640 | |
| 183 | I | A | 0.0000 | |
| 184 | L | A | -1.3101 | |
| 185 | P | A | -1.2093 | |
| 186 | E | A | 0.1610 | |
| 187 | C | A | 1.5459 | |
| 188 | V | A | 2.3173 | |
| 189 | L | A | 1.5752 | |
| 190 | P | A | 0.4832 | |
| 191 | S | A | 0.1190 | |
| 192 | T | A | 0.1139 | |
| 193 | M | A | 0.0000 | |
| 194 | S | A | -0.1106 | |
| 195 | A | A | 0.1802 | |
| 196 | V | A | 0.4687 | |
| 197 | Q | A | -0.1634 | |
| 198 | L | A | -0.2790 | |
| 199 | E | A | -1.8740 | |
| 200 | S | A | -1.1602 | |
| 201 | L | A | -1.0010 | |
| 202 | N | A | -1.5204 | |
| 203 | K | A | -1.5568 | |
| 204 | C | A | -0.3825 | |
| 205 | Q | A | 0.0094 | |
| 206 | I | A | 1.4611 | |
| 207 | F | A | 0.6688 | |
| 208 | P | A | 0.0495 | |
| 209 | S | A | -0.0959 | |
| 210 | K | A | -0.3566 | |
| 211 | P | A | -0.1467 | |
| 212 | V | A | 0.7756 | |
| 213 | S | A | -1.0970 | |
| 214 | R | A | -2.7022 | |
| 215 | E | A | -3.0304 | |
| 216 | D | A | -2.7504 | |
| 217 | Q | A | -2.1194 | |
| 218 | C | A | -1.3066 | |
| 219 | S | A | -1.3330 | |
| 220 | Y | A | -0.5704 | |
| 221 | K | A | -1.7690 | |
| 222 | W | A | -1.3174 | |
| 223 | W | A | -1.0946 | |
| 224 | Q | A | -1.9160 | |
| 225 | K | A | -1.9603 | |
| 226 | Y | A | 0.0000 | |
| 227 | Q | A | -1.5943 | |
| 228 | K | A | -2.3761 | |
| 229 | R | A | -1.4589 | |
| 230 | K | A | -0.9410 | |
| 231 | F | A | 0.0000 | |
| 232 | H | A | -1.2456 | |
| 233 | C | A | 0.0000 | |
| 234 | A | A | 0.0000 | |
| 235 | N | A | -0.5163 | |
| 236 | L | A | 1.1332 | |
| 237 | T | A | 0.6132 | |
| 238 | S | A | 0.4038 | |
| 239 | W | A | 1.1837 | |
| 240 | P | A | 0.5410 | |
| 241 | R | A | -0.1833 | |
| 242 | W | A | 1.1580 | |
| 243 | L | A | 1.3304 | |
| 244 | Y | A | 1.0180 | |
| 245 | S | A | 0.0000 | |
| 246 | L | A | 0.9605 | |
| 247 | Y | A | 0.9555 | |
| 248 | D | A | 0.0000 | |
| 249 | A | A | -0.4765 | |
| 250 | E | A | -1.3707 | |
| 251 | T | A | -0.8039 | |
| 252 | L | A | 0.0000 | |
| 253 | M | A | -1.1988 | |
| 254 | D | A | -1.5662 | |
| 255 | R | A | -2.0722 | |
| 256 | I | A | 0.0000 | |
| 257 | K | A | -1.9643 | |
| 258 | K | A | -2.3109 | |
| 259 | Q | A | -2.0038 | |
| 260 | L | A | 0.0000 | |
| 261 | R | A | -3.2069 | |
| 262 | E | A | -3.3281 | |
| 263 | W | A | 0.0000 | |
| 264 | D | A | -2.5661 | |
| 265 | E | A | -3.4270 | |
| 266 | N | A | -2.6544 | |
| 267 | L | A | -2.6233 | |
| 268 | K | A | -3.4105 | |
| 269 | D | A | -2.9021 | |
| 270 | D | A | -2.8302 | |
| 271 | S | A | -1.4619 | |
| 272 | L | A | -1.3640 | |
| 273 | P | A | -1.2697 | |
| 274 | S | A | -1.3138 | |
| 275 | N | A | -1.2879 | |
| 276 | P | A | -0.7591 | |
| 277 | I | A | -0.4216 | |
| 278 | D | A | -1.7973 | |
| 279 | F | A | 0.0000 | |
| 280 | S | A | 0.0000 | |
| 281 | Y | A | 0.0000 | |
| 282 | R | A | -0.9435 | |
| 283 | V | A | 0.0000 | |
| 284 | A | A | 0.0000 | |
| 285 | A | A | -0.2209 | |
| 286 | C | A | 0.0000 | |
| 287 | L | A | 0.0000 | |
| 288 | P | A | -0.1808 | |
| 289 | I | A | 0.0000 | |
| 290 | D | A | -0.2161 | |
| 291 | D | A | -0.2796 | |
| 292 | V | A | 1.1078 | |
| 293 | L | A | 0.0000 | |
| 294 | R | A | 0.0000 | |
| 295 | I | A | -0.0781 | |
| 296 | Q | A | -0.4962 | |
| 297 | L | A | 0.0000 | |
| 298 | L | A | 0.0000 | |
| 299 | K | A | -1.3367 | |
| 300 | I | A | 0.0000 | |
| 301 | G | A | -0.0662 | |
| 302 | S | A | 0.0000 | |
| 303 | A | A | 0.0000 | |
| 304 | I | A | 0.0000 | |
| 305 | Q | A | -0.1181 | |
| 306 | R | A | 0.0000 | |
| 307 | L | A | 0.0000 | |
| 308 | R | A | -0.0625 | |
| 309 | C | A | 0.0000 | |
| 310 | E | A | 0.0000 | |
| 311 | L | A | 0.0000 | |
| 312 | D | A | -0.3770 | |
| 313 | I | A | 0.0000 | |
| 314 | M | A | 0.0000 | |
| 315 | N | A | -1.6460 | |
| 316 | K | A | -0.9124 | |
| 317 | C | A | -0.4591 | |
| 318 | T | A | -0.6572 | |
| 319 | S | A | -0.7430 | |
| 320 | L | A | 0.0000 | |
| 321 | C | A | 0.0000 | |
| 322 | C | A | 0.0000 | |
| 323 | K | A | -2.0959 | |
| 324 | Q | A | -1.7995 | |
| 325 | C | A | -1.3260 | |
| 326 | Q | A | -2.4599 | |
| 327 | E | A | -2.5601 | |
| 328 | T | A | 0.0000 | |
| 329 | E | A | -1.9616 | |
| 330 | I | A | 0.0000 | |
| 331 | T | A | 0.0000 | |
| 332 | T | A | -0.8510 | |
| 333 | K | A | -1.2571 | |
| 334 | N | A | -1.8147 | |
| 335 | E | A | -1.2114 | |
| 336 | I | A | 0.0000 | |
| 337 | F | A | 0.0000 | |
| 338 | S | A | 0.0000 | |
| 339 | L | A | 0.0000 | |
| 340 | S | A | 0.0000 | |
| 341 | L | A | 1.4212 | |
| 342 | C | A | 0.8217 | |
| 343 | G | A | 0.4507 | |
| 344 | P | A | 0.0000 | |
| 345 | M | A | 0.0000 | |
| 346 | A | A | 0.2004 | |
| 347 | A | A | 0.0000 | |
| 348 | Y | A | 0.0000 | |
| 349 | V | A | 0.0000 | |
| 350 | N | A | 0.0000 | |
| 351 | P | A | -0.5047 | |
| 352 | H | A | -0.3268 | |
| 353 | G | A | 0.1963 | |
| 354 | Y | A | 0.9847 | |
| 355 | V | A | 0.7307 | |
| 356 | H | A | 0.3426 | |
| 357 | E | A | 0.0000 | |
| 358 | T | A | 0.0000 | |
| 359 | L | A | 0.0000 | |
| 360 | T | A | 0.0000 | |
| 361 | V | A | 0.0000 | |
| 362 | Y | A | -0.9386 | |
| 363 | K | A | -1.0640 | |
| 364 | A | A | 0.0000 | |
| 365 | C | A | -1.0660 | |
| 366 | N | A | -1.1691 | |
| 367 | L | A | 0.0000 | |
| 368 | N | A | -1.2233 | |
| 369 | L | A | -0.6996 | |
| 370 | I | A | -0.1587 | |
| 371 | G | A | -1.3005 | |
| 372 | R | A | -1.8873 | |
| 373 | P | A | -1.1920 | |
| 374 | S | A | 0.0000 | |
| 375 | T | A | -0.9405 | |
| 376 | E | A | -1.8419 | |
| 377 | H | A | -1.0630 | |
| 378 | S | A | -0.6567 | |
| 379 | W | A | 0.0000 | |
| 380 | F | A | 0.0000 | |
| 381 | P | A | -0.4713 | |
| 382 | G | A | -0.5875 | |
| 383 | Y | A | 0.0000 | |
| 384 | A | A | 0.0000 | |
| 385 | W | A | 0.0000 | |
| 386 | T | A | 0.0000 | |
| 387 | V | A | -0.0937 | |
| 388 | A | A | 0.0000 | |
| 389 | Q | A | 0.0000 | |
| 390 | C | A | 0.0000 | |
| 391 | K | A | -0.8622 | |
| 392 | I | A | 0.9722 | |
| 393 | C | A | 0.6740 | |
| 394 | A | A | 0.4069 | |
| 395 | S | A | 0.1327 | |
| 396 | H | A | -0.3099 | |
| 397 | I | A | 0.0000 | |
| 398 | G | A | 0.0000 | |
| 399 | W | A | 0.0000 | |
| 400 | K | A | -0.3043 | |
| 401 | F | A | 0.0000 | |
| 402 | T | A | -1.1314 | |
| 403 | A | A | -1.8110 | |
| 404 | T | A | -1.7452 | |
| 405 | K | A | -3.2252 | |
| 406 | K | A | -3.5275 | |
| 407 | D | A | -3.3942 | |
| 408 | M | A | -2.1771 | |
| 409 | S | A | -1.3411 | |
| 410 | P | A | 0.0000 | |
| 411 | Q | A | -2.1366 | |
| 412 | K | A | -1.4241 | |
| 413 | F | A | 0.0000 | |
| 414 | W | A | 0.0000 | |
| 415 | G | A | 0.0000 | |
| 416 | L | A | 0.0000 | |
| 417 | T | A | 0.0000 | |
| 418 | R | A | 0.0000 | |
| 419 | S | A | -0.7022 | |
| 420 | A | A | -0.7442 | |
| 421 | L | A | 0.0000 | |
| 422 | L | A | -0.9670 | |
| 423 | P | A | 0.0000 | |
| 424 | T | A | -1.0411 | |
| 425 | I | A | -0.8632 | |
| 426 | P | A | -1.3107 | |
| 427 | D | A | -3.0789 | |
| 428 | T | A | -2.5850 | |
| 429 | E | A | -3.4037 | |
| 430 | D | A | -3.3209 | |
| 431 | E | A | -2.7707 | |
| 432 | I | A | 0.0318 | |
| 433 | S | A | -0.9310 | |
| 434 | P | A | -2.0144 | |
| 435 | D | A | -2.4695 | |
| 436 | K | A | -1.7825 | |
| 437 | V | A | 0.2026 | |
| 438 | I | A | 1.6526 | |
| 439 | L | A | 1.3615 | |
| 440 | C | A | 1.5368 | |
| 441 | L | A | 1.1101 |
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