| Chain sequence(s) |
A: DSSYKFDVYKDTSFLKNREYKELITMQYDYAYLEATKEVLYLIPKDKDYHKFYKNELEKILFNLKDSLKLLREGYIQSKLEMIRIHSDIDILNEFHQGNIINDNYFNNEIKKKKEDMEKYIREYNLYIYKYENQLKIKIQKLTNEVSINLNKSTCEKNCYNYILKLEKYKNIIKDKINKWKDLPEIYIDDKSFSYTFLKDVINNKIDIYKTISSFISTQKQLYYFEYIYIMNKNTLNLLSYNIQKTDINSSSKYTYTKSHFLKDNHILLSKYYTAKFIDILNKTYYYNLYKNKILLFNKYIIKLRNDLKEYAFKSIQFIQDKIKKHKDELSIENILQEVNNIYIKYDTSINEISKYNNLIINTDLQIVQQKLLEIKQKKNDITHKVQLINHIYKNIHDEILNKKNNEITKIIINNIKDHKKDLQDLLLFIQQIKQYNILTDHKITQCNNYYKEIIKMKEDINHIHIYIQPILNNLHTL
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 (00:18:44)
[INFO] Main: Simulation completed successfully. (00:18:48)
|
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 | D | A | -1.8887 | |
| 2 | S | A | -1.4736 | |
| 3 | S | A | -1.5376 | |
| 4 | Y | A | -1.1201 | |
| 5 | K | A | -2.0359 | |
| 6 | F | A | -0.6093 | |
| 7 | D | A | -1.5964 | |
| 8 | V | A | -0.6366 | |
| 9 | Y | A | -0.4004 | |
| 10 | K | A | -2.1488 | |
| 11 | D | A | -2.1578 | |
| 12 | T | A | -1.7022 | |
| 13 | S | A | -1.3970 | |
| 14 | F | A | -1.2766 | |
| 15 | L | A | -2.0680 | |
| 16 | K | A | -2.7247 | |
| 17 | N | A | -2.8145 | |
| 18 | R | A | -3.3433 | |
| 19 | E | A | -2.6896 | |
| 20 | Y | A | 0.0000 | |
| 21 | K | A | -1.8323 | |
| 22 | E | A | 0.0000 | |
| 23 | L | A | 0.0000 | |
| 24 | I | A | 0.0000 | |
| 25 | T | A | -0.2670 | |
| 26 | M | A | 0.0000 | |
| 27 | Q | A | 0.0000 | |
| 28 | Y | A | 0.4151 | |
| 29 | D | A | 0.0000 | |
| 30 | Y | A | -0.1788 | |
| 31 | A | A | 0.0000 | |
| 32 | Y | A | -0.2042 | |
| 33 | L | A | 0.0000 | |
| 34 | E | A | -0.6976 | |
| 35 | A | A | 0.0000 | |
| 36 | T | A | 0.0000 | |
| 37 | K | A | -2.1759 | |
| 38 | E | A | -0.9969 | |
| 39 | V | A | -0.1674 | |
| 40 | L | A | -0.2747 | |
| 41 | Y | A | 0.3256 | |
| 42 | L | A | 0.0000 | |
| 43 | I | A | 0.0000 | |
| 44 | P | A | -1.8155 | |
| 45 | K | A | -3.0727 | |
| 46 | D | A | -3.4770 | |
| 47 | K | A | -3.1946 | |
| 48 | D | A | -3.3176 | |
| 49 | Y | A | 0.0000 | |
| 50 | H | A | -3.1704 | |
| 51 | K | A | -4.0624 | |
| 52 | F | A | 0.0000 | |
| 53 | Y | A | 0.0000 | |
| 54 | K | A | -4.2134 | |
| 55 | N | A | -3.9385 | |
| 56 | E | A | -3.7915 | |
| 57 | L | A | 0.0000 | |
| 58 | E | A | -3.1389 | |
| 59 | K | A | -2.5599 | |
| 60 | I | A | -1.0207 | |
| 61 | L | A | 0.0000 | |
| 62 | F | A | 0.0704 | |
| 63 | N | A | -1.4033 | |
| 64 | L | A | 0.0000 | |
| 65 | K | A | -0.9574 | |
| 66 | D | A | -1.2806 | |
| 67 | S | A | -0.8667 | |
| 68 | L | A | 0.0000 | |
| 69 | K | A | -1.1819 | |
| 70 | L | A | 0.3142 | |
| 71 | L | A | 0.0000 | |
| 72 | R | A | 0.0000 | |
| 73 | E | A | -1.1769 | |
| 74 | G | A | -0.6638 | |
| 75 | Y | A | 0.0000 | |
| 76 | I | A | 0.0000 | |
| 77 | Q | A | -1.5579 | |
| 78 | S | A | 0.0000 | |
| 79 | K | A | -0.6586 | |
| 80 | L | A | 0.0000 | |
| 81 | E | A | -0.9483 | |
| 82 | M | A | -1.0206 | |
| 83 | I | A | -0.7882 | |
| 84 | R | A | -1.0517 | |
| 85 | I | A | 0.0000 | |
| 86 | H | A | -1.8028 | |
| 87 | S | A | 0.0000 | |
| 88 | D | A | -1.5650 | |
| 89 | I | A | -1.8546 | |
| 90 | D | A | -2.2547 | |
| 91 | I | A | 0.0000 | |
| 92 | L | A | 0.0000 | |
| 93 | N | A | -1.8912 | |
| 94 | E | A | -2.0416 | |
| 95 | F | A | 0.0000 | |
| 96 | H | A | -2.0299 | |
| 97 | Q | A | -2.4363 | |
| 98 | G | A | -2.1334 | |
| 99 | N | A | -1.9485 | |
| 100 | I | A | -0.9670 | |
| 101 | I | A | 0.6264 | |
| 102 | N | A | -1.8094 | |
| 103 | D | A | -3.0509 | |
| 104 | N | A | -2.5910 | |
| 105 | Y | A | -1.3741 | |
| 106 | F | A | 0.0000 | |
| 107 | N | A | -3.1617 | |
| 108 | N | A | -3.2445 | |
| 109 | E | A | -2.4162 | |
| 110 | I | A | -2.8845 | |
| 111 | K | A | -3.9012 | |
| 112 | K | A | -3.9591 | |
| 113 | K | A | -3.7427 | |
| 114 | K | A | -4.1364 | |
| 115 | E | A | -4.5138 | |
| 116 | D | A | -3.6851 | |
| 117 | M | A | 0.0000 | |
| 118 | E | A | -3.5204 | |
| 119 | K | A | -3.7268 | |
| 120 | Y | A | -2.2754 | |
| 121 | I | A | -1.8115 | |
| 122 | R | A | -2.8235 | |
| 123 | E | A | -2.0031 | |
| 124 | Y | A | -1.2164 | |
| 125 | N | A | -1.1236 | |
| 126 | L | A | -0.3816 | |
| 127 | Y | A | -0.2480 | |
| 128 | I | A | -0.6221 | |
| 129 | Y | A | -0.4893 | |
| 130 | K | A | -1.3267 | |
| 131 | Y | A | 0.0000 | |
| 132 | E | A | -2.4861 | |
| 133 | N | A | -2.5573 | |
| 134 | Q | A | -2.2983 | |
| 135 | L | A | 0.0000 | |
| 136 | K | A | -1.9950 | |
| 137 | I | A | -1.6019 | |
| 138 | K | A | -2.1511 | |
| 139 | I | A | 0.0000 | |
| 140 | Q | A | -2.4757 | |
| 141 | K | A | -2.9739 | |
| 142 | L | A | 0.0000 | |
| 143 | T | A | -1.9774 | |
| 144 | N | A | -2.4639 | |
| 145 | E | A | -1.9250 | |
| 146 | V | A | 0.0000 | |
| 147 | S | A | 0.0000 | |
| 148 | I | A | -0.3232 | |
| 149 | N | A | -1.3917 | |
| 150 | L | A | -0.9478 | |
| 151 | N | A | -1.3155 | |
| 152 | K | A | -2.3763 | |
| 153 | S | A | 0.0000 | |
| 154 | T | A | -1.8193 | |
| 155 | C | A | -2.1720 | |
| 156 | E | A | -3.4159 | |
| 157 | K | A | -3.1964 | |
| 158 | N | A | -1.9996 | |
| 159 | C | A | -1.0290 | |
| 160 | Y | A | 0.3528 | |
| 161 | N | A | -0.8726 | |
| 162 | Y | A | 0.0000 | |
| 163 | I | A | 0.0000 | |
| 164 | L | A | -0.4804 | |
| 165 | K | A | -0.9791 | |
| 166 | L | A | 0.0000 | |
| 167 | E | A | -1.7142 | |
| 168 | K | A | -2.1037 | |
| 169 | Y | A | 0.0000 | |
| 170 | K | A | 0.0000 | |
| 171 | N | A | -2.3126 | |
| 172 | I | A | -1.0208 | |
| 173 | I | A | 0.0000 | |
| 174 | K | A | -2.4979 | |
| 175 | D | A | -2.9474 | |
| 176 | K | A | -2.5922 | |
| 177 | I | A | 0.0000 | |
| 178 | N | A | -3.5683 | |
| 179 | K | A | -3.9409 | |
| 180 | W | A | 0.0000 | |
| 181 | K | A | -3.7543 | |
| 182 | D | A | -3.6363 | |
| 183 | L | A | 0.0000 | |
| 184 | P | A | -1.5523 | |
| 185 | E | A | -1.5635 | |
| 186 | I | A | -0.3417 | |
| 187 | Y | A | 0.0523 | |
| 188 | I | A | -0.7089 | |
| 189 | D | A | -2.1740 | |
| 190 | D | A | -1.8344 | |
| 191 | K | A | -2.1097 | |
| 192 | S | A | -1.3874 | |
| 193 | F | A | 0.0000 | |
| 194 | S | A | -0.2518 | |
| 195 | Y | A | 0.1808 | |
| 196 | T | A | -0.0169 | |
| 197 | F | A | 0.1397 | |
| 198 | L | A | 0.0000 | |
| 199 | K | A | -1.2019 | |
| 200 | D | A | -1.6067 | |
| 201 | V | A | 0.0000 | |
| 202 | I | A | 0.0000 | |
| 203 | N | A | -2.6116 | |
| 204 | N | A | 0.0000 | |
| 205 | K | A | -2.8404 | |
| 206 | I | A | 0.0000 | |
| 207 | D | A | -2.3171 | |
| 208 | I | A | -1.4898 | |
| 209 | Y | A | -1.3839 | |
| 210 | K | A | -1.8899 | |
| 211 | T | A | -1.2011 | |
| 212 | I | A | 0.0000 | |
| 213 | S | A | 0.0000 | |
| 214 | S | A | -0.7658 | |
| 215 | F | A | 0.0000 | |
| 216 | I | A | 0.0000 | |
| 217 | S | A | 0.0000 | |
| 218 | T | A | 0.0000 | |
| 219 | Q | A | 0.0000 | |
| 220 | K | A | -0.8036 | |
| 221 | Q | A | 0.0000 | |
| 222 | L | A | 0.0000 | |
| 223 | Y | A | 0.3970 | |
| 224 | Y | A | 0.0000 | |
| 225 | F | A | 0.0000 | |
| 226 | E | A | 0.1545 | |
| 227 | Y | A | 0.6703 | |
| 228 | I | A | 0.0000 | |
| 229 | Y | A | 0.0000 | |
| 230 | I | A | 0.4826 | |
| 231 | M | A | 0.0000 | |
| 232 | N | A | 0.0000 | |
| 233 | K | A | -1.0688 | |
| 234 | N | A | -1.2884 | |
| 235 | T | A | 0.0000 | |
| 236 | L | A | 0.0000 | |
| 237 | N | A | -0.8966 | |
| 238 | L | A | -0.1655 | |
| 239 | L | A | 0.0000 | |
| 240 | S | A | 0.0000 | |
| 241 | Y | A | 0.1896 | |
| 242 | N | A | -0.4933 | |
| 243 | I | A | 0.0000 | |
| 244 | Q | A | -2.2888 | |
| 245 | K | A | -2.6598 | |
| 246 | T | A | -2.0285 | |
| 247 | D | A | -3.1535 | |
| 248 | I | A | 0.0000 | |
| 249 | N | A | -2.6377 | |
| 250 | S | A | -1.7568 | |
| 251 | S | A | -1.3023 | |
| 252 | S | A | 0.0000 | |
| 253 | K | A | -1.1353 | |
| 254 | Y | A | 0.6069 | |
| 255 | T | A | -0.3123 | |
| 256 | Y | A | -0.5108 | |
| 257 | T | A | -1.5678 | |
| 258 | K | A | -2.7885 | |
| 259 | S | A | -1.7704 | |
| 260 | H | A | -1.9043 | |
| 261 | F | A | 0.0000 | |
| 262 | L | A | -1.1438 | |
| 263 | K | A | -2.0755 | |
| 264 | D | A | -1.3542 | |
| 265 | N | A | 0.0000 | |
| 266 | H | A | -0.6111 | |
| 267 | I | A | 0.0787 | |
| 268 | L | A | 0.0000 | |
| 269 | L | A | 0.3550 | |
| 270 | S | A | 0.0000 | |
| 271 | K | A | -0.0769 | |
| 272 | Y | A | 0.0000 | |
| 273 | Y | A | 0.0000 | |
| 274 | T | A | 0.0000 | |
| 275 | A | A | 0.0000 | |
| 276 | K | A | -0.1743 | |
| 277 | F | A | 0.0000 | |
| 278 | I | A | 0.0000 | |
| 279 | D | A | 0.0000 | |
| 280 | I | A | 0.6932 | |
| 281 | L | A | 0.0000 | |
| 282 | N | A | 0.0000 | |
| 283 | K | A | -0.6064 | |
| 284 | T | A | -0.2444 | |
| 285 | Y | A | -0.1943 | |
| 286 | Y | A | 0.0000 | |
| 287 | Y | A | -0.8227 | |
| 288 | N | A | -1.3458 | |
| 289 | L | A | -0.7570 | |
| 290 | Y | A | 0.0000 | |
| 291 | K | A | -0.8827 | |
| 292 | N | A | -1.2709 | |
| 293 | K | A | -0.7418 | |
| 294 | I | A | -0.2405 | |
| 295 | L | A | 0.1980 | |
| 296 | L | A | -0.0109 | |
| 297 | F | A | 0.0000 | |
| 298 | N | A | -1.2464 | |
| 299 | K | A | -1.4341 | |
| 300 | Y | A | -0.6903 | |
| 301 | I | A | 0.0000 | |
| 302 | I | A | -0.5285 | |
| 303 | K | A | -1.6392 | |
| 304 | L | A | 0.0000 | |
| 305 | R | A | -0.9731 | |
| 306 | N | A | -1.8310 | |
| 307 | D | A | -1.7121 | |
| 308 | L | A | 0.0000 | |
| 309 | K | A | -1.6482 | |
| 310 | E | A | -2.4362 | |
| 311 | Y | A | -1.6686 | |
| 312 | A | A | 0.0000 | |
| 313 | F | A | -0.9265 | |
| 314 | K | A | -1.7249 | |
| 315 | S | A | -0.8412 | |
| 316 | I | A | 0.0000 | |
| 317 | Q | A | -0.8517 | |
| 318 | F | A | 0.1675 | |
| 319 | I | A | 0.0000 | |
| 320 | Q | A | -1.1742 | |
| 321 | D | A | -1.6287 | |
| 322 | K | A | -1.6685 | |
| 323 | I | A | 0.0000 | |
| 324 | K | A | -3.3739 | |
| 325 | K | A | -4.0037 | |
| 326 | H | A | -3.1800 | |
| 327 | K | A | -3.4400 | |
| 328 | D | A | -4.0425 | |
| 329 | E | A | -3.6381 | |
| 330 | L | A | 0.0000 | |
| 331 | S | A | -1.9219 | |
| 332 | I | A | 0.0000 | |
| 333 | E | A | -2.8144 | |
| 334 | N | A | -2.8289 | |
| 335 | I | A | 0.0000 | |
| 336 | L | A | -1.8707 | |
| 337 | Q | A | -2.7777 | |
| 338 | E | A | -2.6755 | |
| 339 | V | A | 0.0000 | |
| 340 | N | A | -1.6220 | |
| 341 | N | A | -1.5143 | |
| 342 | I | A | 0.0000 | |
| 343 | Y | A | -0.6369 | |
| 344 | I | A | 0.1035 | |
| 345 | K | A | -1.3496 | |
| 346 | Y | A | 0.0000 | |
| 347 | D | A | -1.1634 | |
| 348 | T | A | -1.2509 | |
| 349 | S | A | 0.0000 | |
| 350 | I | A | 0.0000 | |
| 351 | N | A | -2.5610 | |
| 352 | E | A | -2.7972 | |
| 353 | I | A | 0.0000 | |
| 354 | S | A | -2.1327 | |
| 355 | K | A | -2.2454 | |
| 356 | Y | A | -0.6792 | |
| 357 | N | A | -0.9693 | |
| 358 | N | A | 0.2563 | |
| 359 | L | A | 1.5822 | |
| 360 | I | A | 2.0565 | |
| 361 | I | A | 0.0000 | |
| 362 | N | A | -0.6716 | |
| 363 | T | A | -0.2269 | |
| 364 | D | A | -0.5333 | |
| 365 | L | A | -0.7524 | |
| 366 | Q | A | -1.7547 | |
| 367 | I | A | -0.6220 | |
| 368 | V | A | 0.0000 | |
| 369 | Q | A | -1.3569 | |
| 370 | Q | A | -1.4329 | |
| 371 | K | A | -1.2666 | |
| 372 | L | A | 0.0000 | |
| 373 | L | A | -0.8972 | |
| 374 | E | A | -1.9866 | |
| 375 | I | A | 0.0000 | |
| 376 | K | A | -2.0987 | |
| 377 | Q | A | -2.5020 | |
| 378 | K | A | -2.5736 | |
| 379 | K | A | -2.1822 | |
| 380 | N | A | -2.7861 | |
| 381 | D | A | -2.5558 | |
| 382 | I | A | 0.0000 | |
| 383 | T | A | -1.5459 | |
| 384 | H | A | -1.9616 | |
| 385 | K | A | -1.6051 | |
| 386 | V | A | 0.0000 | |
| 387 | Q | A | -1.2376 | |
| 388 | L | A | -0.6921 | |
| 389 | I | A | 0.0000 | |
| 390 | N | A | -1.4400 | |
| 391 | H | A | -1.5968 | |
| 392 | I | A | -1.2415 | |
| 393 | Y | A | 0.0000 | |
| 394 | K | A | -2.8400 | |
| 395 | N | A | -3.0445 | |
| 396 | I | A | 0.0000 | |
| 397 | H | A | -2.4794 | |
| 398 | D | A | -3.3914 | |
| 399 | E | A | -3.0900 | |
| 400 | I | A | 0.0000 | |
| 401 | L | A | -1.6039 | |
| 402 | N | A | -2.9199 | |
| 403 | K | A | -2.4675 | |
| 404 | K | A | -2.3220 | |
| 405 | N | A | -2.7181 | |
| 406 | N | A | -3.0157 | |
| 407 | E | A | -2.3112 | |
| 408 | I | A | 0.0000 | |
| 409 | T | A | -1.0165 | |
| 410 | K | A | -1.6952 | |
| 411 | I | A | 0.0000 | |
| 412 | I | A | 1.3897 | |
| 413 | I | A | 1.7954 | |
| 414 | N | A | -0.4807 | |
| 415 | N | A | -0.3307 | |
| 416 | I | A | 1.0745 | |
| 417 | K | A | -1.6242 | |
| 418 | D | A | -1.7805 | |
| 419 | H | A | -1.3517 | |
| 420 | K | A | -1.8879 | |
| 421 | K | A | -2.4091 | |
| 422 | D | A | 0.0000 | |
| 423 | L | A | 0.0000 | |
| 424 | Q | A | -0.8632 | |
| 425 | D | A | -0.8160 | |
| 426 | L | A | 0.0000 | |
| 427 | L | A | 0.0000 | |
| 428 | L | A | 0.7290 | |
| 429 | F | A | 0.0000 | |
| 430 | I | A | 0.0000 | |
| 431 | Q | A | -0.9034 | |
| 432 | Q | A | -0.9203 | |
| 433 | I | A | 0.0000 | |
| 434 | K | A | -0.8885 | |
| 435 | Q | A | -1.0183 | |
| 436 | Y | A | 0.0000 | |
| 437 | N | A | -0.3333 | |
| 438 | I | A | 0.5150 | |
| 439 | L | A | 0.2968 | |
| 440 | T | A | 0.0000 | |
| 441 | D | A | -1.3531 | |
| 442 | H | A | -1.4726 | |
| 443 | K | A | -1.5924 | |
| 444 | I | A | -1.3005 | |
| 445 | T | A | -1.6323 | |
| 446 | Q | A | -2.0120 | |
| 447 | C | A | 0.0000 | |
| 448 | N | A | -2.2163 | |
| 449 | N | A | -2.6321 | |
| 450 | Y | A | -1.8164 | |
| 451 | Y | A | -1.8290 | |
| 452 | K | A | -3.0283 | |
| 453 | E | A | -2.8738 | |
| 454 | I | A | 0.0000 | |
| 455 | I | A | -1.9969 | |
| 456 | K | A | -3.3612 | |
| 457 | M | A | -2.8852 | |
| 458 | K | A | -2.9018 | |
| 459 | E | A | -3.6677 | |
| 460 | D | A | -3.3474 | |
| 461 | I | A | 0.0000 | |
| 462 | N | A | -1.8041 | |
| 463 | H | A | -1.3667 | |
| 464 | I | A | 0.0000 | |
| 465 | H | A | -0.1184 | |
| 466 | I | A | 1.5220 | |
| 467 | Y | A | 1.2018 | |
| 468 | I | A | 0.0000 | |
| 469 | Q | A | -0.4112 | |
| 470 | P | A | -0.7957 | |
| 471 | I | A | -0.6443 | |
| 472 | L | A | 0.0000 | |
| 473 | N | A | -2.2167 | |
| 474 | N | A | -1.9624 | |
| 475 | L | A | 0.0000 | |
| 476 | H | A | -1.5662 | |
| 477 | T | A | -0.5487 | |
| 478 | L | A | 0.9055 |
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