| Chain sequence(s) |
A: MKNEARNLIKELKAGRDLKENVKKYAFLTSTAFTKYAVIRLSMNYFTMLEMLDECDDDRKKETEDIANTVKAAIENAVFEGESFEEDIEKVLARRQEVTEKMKVLTSYTDAMSLFEYVLLRKNPEISVHDVNKEAVAENMFNYVFQDNDKLVVNSKIQSFIAELPVRMTKERFFDIIRNTLMIYKGGEKEAVNDFAEMVRTASLIEKPEGFEKSFPALYDMYKTLSEADLKKLEKSEHLKYSAILEKATEIISSNVTDYLMLEQIINDTLVILLTSKNKIADKMDDSYASAISILKECVAADSIYSLTDKTEDFFISLEGAQEDAYETLANVSSSLFDIYTEYSEVIEEAGMTDVYSGLIKADKLTSTSLFIDLDKEIRVVNDAADDEYIEKVYKDLEEGFRGLFEKLGVSLRRGVMAKVLSVIPVFFNNKEEIKEYFLYALDRCSDETELLASVEIINEMMLGD
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] (00:00:01)
[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 A 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 (00:11:30)
[INFO] Main: Simulation completed successfully. (00:11:34)
|
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 | -1.2484 | |
| 2 | K | A | -2.4407 | |
| 3 | N | A | -3.0387 | |
| 4 | E | A | -3.4035 | |
| 5 | A | A | 0.0000 | |
| 6 | R | A | -3.2579 | |
| 7 | N | A | -3.6117 | |
| 8 | L | A | -3.1213 | |
| 9 | I | A | -2.1663 | |
| 10 | K | A | -3.6849 | |
| 11 | E | A | -3.4814 | |
| 12 | L | A | 0.0000 | |
| 13 | K | A | -3.1683 | |
| 14 | A | A | -2.4490 | |
| 15 | G | A | -2.6676 | |
| 16 | R | A | -3.8580 | |
| 17 | D | A | -3.4197 | |
| 18 | L | A | -2.5415 | |
| 19 | K | A | -3.2271 | |
| 20 | E | A | -3.0147 | |
| 21 | N | A | 0.0000 | |
| 22 | V | A | 0.0000 | |
| 23 | K | A | -1.6798 | |
| 24 | K | A | -1.8614 | |
| 25 | Y | A | 0.0000 | |
| 26 | A | A | 0.0000 | |
| 27 | F | A | -0.2295 | |
| 28 | L | A | 0.0000 | |
| 29 | T | A | 0.0000 | |
| 30 | S | A | 0.0000 | |
| 31 | T | A | 0.0000 | |
| 32 | A | A | 0.0000 | |
| 33 | F | A | 0.0000 | |
| 34 | T | A | 0.0000 | |
| 35 | K | A | -0.4556 | |
| 36 | Y | A | 0.0000 | |
| 37 | A | A | 0.0000 | |
| 38 | V | A | 0.0000 | |
| 39 | I | A | 0.0000 | |
| 40 | R | A | -0.4861 | |
| 41 | L | A | 0.0000 | |
| 42 | S | A | 0.0000 | |
| 43 | M | A | 0.1868 | |
| 44 | N | A | -0.1943 | |
| 45 | Y | A | 0.0000 | |
| 46 | F | A | 0.0222 | |
| 47 | T | A | -0.2986 | |
| 48 | M | A | 0.0000 | |
| 49 | L | A | 0.0000 | |
| 50 | E | A | -1.7064 | |
| 51 | M | A | -1.3175 | |
| 52 | L | A | 0.0000 | |
| 53 | D | A | -2.3652 | |
| 54 | E | A | -2.9229 | |
| 55 | C | A | -2.9428 | |
| 56 | D | A | -3.7914 | |
| 57 | D | A | -4.4574 | |
| 58 | D | A | -4.1411 | |
| 59 | R | A | -3.3382 | |
| 60 | K | A | -4.1044 | |
| 61 | K | A | -4.5057 | |
| 62 | E | A | -3.5124 | |
| 63 | T | A | 0.0000 | |
| 64 | E | A | -3.2322 | |
| 65 | D | A | -3.4523 | |
| 66 | I | A | 0.0000 | |
| 67 | A | A | 0.0000 | |
| 68 | N | A | -2.1545 | |
| 69 | T | A | -1.4946 | |
| 70 | V | A | 0.0000 | |
| 71 | K | A | -1.4797 | |
| 72 | A | A | -0.8959 | |
| 73 | A | A | 0.0000 | |
| 74 | I | A | 0.0000 | |
| 75 | E | A | -1.9873 | |
| 76 | N | A | -1.7850 | |
| 77 | A | A | 0.0000 | |
| 78 | V | A | 0.0000 | |
| 79 | F | A | -1.4771 | |
| 80 | E | A | -2.5340 | |
| 81 | G | A | -2.2474 | |
| 82 | E | A | -2.2114 | |
| 83 | S | A | 0.0000 | |
| 84 | F | A | -1.3495 | |
| 85 | E | A | -2.8914 | |
| 86 | E | A | -3.2953 | |
| 87 | D | A | 0.0000 | |
| 88 | I | A | -1.8812 | |
| 89 | E | A | -3.1341 | |
| 90 | K | A | -2.6544 | |
| 91 | V | A | 0.0000 | |
| 92 | L | A | -1.2776 | |
| 93 | A | A | -1.4515 | |
| 94 | R | A | -1.8039 | |
| 95 | R | A | 0.0000 | |
| 96 | Q | A | -2.4065 | |
| 97 | E | A | -2.4670 | |
| 98 | V | A | 0.0000 | |
| 99 | T | A | -1.7996 | |
| 100 | E | A | -3.2450 | |
| 101 | K | A | -2.0830 | |
| 102 | M | A | -1.0835 | |
| 103 | K | A | -1.8287 | |
| 104 | V | A | 0.0000 | |
| 105 | L | A | 0.0000 | |
| 106 | T | A | -0.5409 | |
| 107 | S | A | 0.0000 | |
| 108 | Y | A | 0.0000 | |
| 109 | T | A | -0.2736 | |
| 110 | D | A | -0.3835 | |
| 111 | A | A | 0.0000 | |
| 112 | M | A | 0.0000 | |
| 113 | S | A | -0.5653 | |
| 114 | L | A | 0.0000 | |
| 115 | F | A | 0.0000 | |
| 116 | E | A | -1.1679 | |
| 117 | Y | A | 0.0000 | |
| 118 | V | A | 0.0000 | |
| 119 | L | A | 0.0000 | |
| 120 | L | A | 0.0891 | |
| 121 | R | A | 0.0000 | |
| 122 | K | A | -1.6881 | |
| 123 | N | A | -1.1818 | |
| 124 | P | A | -1.4508 | |
| 125 | E | A | -1.9133 | |
| 126 | I | A | -0.9036 | |
| 127 | S | A | -0.2060 | |
| 128 | V | A | 0.2619 | |
| 129 | H | A | -1.2487 | |
| 130 | D | A | -2.3630 | |
| 131 | V | A | -1.8038 | |
| 132 | N | A | -2.3983 | |
| 133 | K | A | -2.4141 | |
| 134 | E | A | -2.9165 | |
| 135 | A | A | -1.9705 | |
| 136 | V | A | -1.7241 | |
| 137 | A | A | 0.0000 | |
| 138 | E | A | -2.7407 | |
| 139 | N | A | -2.4136 | |
| 140 | M | A | 0.0000 | |
| 141 | F | A | -1.7890 | |
| 142 | N | A | -2.0639 | |
| 143 | Y | A | -0.9255 | |
| 144 | V | A | 0.0000 | |
| 145 | F | A | -1.3925 | |
| 146 | Q | A | -1.9477 | |
| 147 | D | A | -2.1789 | |
| 148 | N | A | -2.4394 | |
| 149 | D | A | -2.1680 | |
| 150 | K | A | -1.7968 | |
| 151 | L | A | 0.2749 | |
| 152 | V | A | -0.0816 | |
| 153 | V | A | 0.0000 | |
| 154 | N | A | -0.3028 | |
| 155 | S | A | -0.0005 | |
| 156 | K | A | -0.2076 | |
| 157 | I | A | 0.0000 | |
| 158 | Q | A | -0.2736 | |
| 159 | S | A | -0.3609 | |
| 160 | F | A | 0.0000 | |
| 161 | I | A | 0.0000 | |
| 162 | A | A | -0.2570 | |
| 163 | E | A | -0.5095 | |
| 164 | L | A | 0.0000 | |
| 165 | P | A | 0.0000 | |
| 166 | V | A | 0.0000 | |
| 167 | R | A | -0.9611 | |
| 168 | M | A | -1.1101 | |
| 169 | T | A | -1.7669 | |
| 170 | K | A | -2.5358 | |
| 171 | E | A | -3.3601 | |
| 172 | R | A | -3.3842 | |
| 173 | F | A | 0.0000 | |
| 174 | F | A | 0.0000 | |
| 175 | D | A | -3.0125 | |
| 176 | I | A | 0.0000 | |
| 177 | I | A | 0.0000 | |
| 178 | R | A | -1.7948 | |
| 179 | N | A | -1.2794 | |
| 180 | T | A | 0.0000 | |
| 181 | L | A | 0.0000 | |
| 182 | M | A | -0.3434 | |
| 183 | I | A | 1.3600 | |
| 184 | Y | A | -0.4678 | |
| 185 | K | A | -1.9919 | |
| 186 | G | A | -2.0615 | |
| 187 | G | A | -1.6357 | |
| 188 | E | A | -2.6150 | |
| 189 | K | A | -2.6497 | |
| 190 | E | A | -2.7229 | |
| 191 | A | A | -2.1572 | |
| 192 | V | A | 0.0000 | |
| 193 | N | A | -2.3466 | |
| 194 | D | A | -2.9419 | |
| 195 | F | A | 0.0000 | |
| 196 | A | A | 0.0000 | |
| 197 | E | A | -2.7235 | |
| 198 | M | A | -1.0995 | |
| 199 | V | A | 0.0000 | |
| 200 | R | A | -1.6074 | |
| 201 | T | A | -1.3045 | |
| 202 | A | A | 0.0000 | |
| 203 | S | A | 0.0000 | |
| 204 | L | A | 0.0000 | |
| 205 | I | A | -1.1162 | |
| 206 | E | A | -2.5326 | |
| 207 | K | A | -2.3034 | |
| 208 | P | A | -2.4471 | |
| 209 | E | A | -3.2304 | |
| 210 | G | A | -2.6826 | |
| 211 | F | A | 0.0000 | |
| 212 | E | A | -3.2666 | |
| 213 | K | A | -2.8548 | |
| 214 | S | A | -1.8680 | |
| 215 | F | A | 0.0000 | |
| 216 | P | A | -1.5328 | |
| 217 | A | A | -1.1398 | |
| 218 | L | A | 0.0000 | |
| 219 | Y | A | -1.6793 | |
| 220 | D | A | -2.1649 | |
| 221 | M | A | -0.9940 | |
| 222 | Y | A | -1.1403 | |
| 223 | K | A | -2.0226 | |
| 224 | T | A | -1.3531 | |
| 225 | L | A | 0.0000 | |
| 226 | S | A | -1.6322 | |
| 227 | E | A | -2.5029 | |
| 228 | A | A | -2.3727 | |
| 229 | D | A | -3.2597 | |
| 230 | L | A | 0.0000 | |
| 231 | K | A | -2.8846 | |
| 232 | K | A | -3.5470 | |
| 233 | L | A | -2.7784 | |
| 234 | E | A | -2.9486 | |
| 235 | K | A | -2.4571 | |
| 236 | S | A | -1.4499 | |
| 237 | E | A | -2.1802 | |
| 238 | H | A | 0.0000 | |
| 239 | L | A | 0.0176 | |
| 240 | K | A | -1.3277 | |
| 241 | Y | A | 0.0000 | |
| 242 | S | A | -0.8332 | |
| 243 | A | A | -1.0250 | |
| 244 | I | A | -1.0336 | |
| 245 | L | A | 0.0000 | |
| 246 | E | A | -2.9456 | |
| 247 | K | A | -2.7175 | |
| 248 | A | A | 0.0000 | |
| 249 | T | A | -1.9170 | |
| 250 | E | A | -2.5945 | |
| 251 | I | A | -1.2111 | |
| 252 | I | A | 0.0000 | |
| 253 | S | A | -0.7135 | |
| 254 | S | A | -0.4156 | |
| 255 | N | A | 0.0000 | |
| 256 | V | A | 0.3256 | |
| 257 | T | A | 0.3261 | |
| 258 | D | A | 0.0000 | |
| 259 | Y | A | 0.0000 | |
| 260 | L | A | 0.8215 | |
| 261 | M | A | 0.3591 | |
| 262 | L | A | 0.0000 | |
| 263 | E | A | 0.0000 | |
| 264 | Q | A | -0.0600 | |
| 265 | I | A | 0.0000 | |
| 266 | I | A | 0.0000 | |
| 267 | N | A | 0.0000 | |
| 268 | D | A | 0.0000 | |
| 269 | T | A | 0.0000 | |
| 270 | L | A | 0.0000 | |
| 271 | V | A | 0.0000 | |
| 272 | I | A | 0.0000 | |
| 273 | L | A | 0.0000 | |
| 274 | L | A | -0.4135 | |
| 275 | T | A | 0.0000 | |
| 276 | S | A | 0.0000 | |
| 277 | K | A | -2.0146 | |
| 278 | N | A | -1.0655 | |
| 279 | K | A | -0.9083 | |
| 280 | I | A | -0.6314 | |
| 281 | A | A | -1.0498 | |
| 282 | D | A | -2.1541 | |
| 283 | K | A | -1.5868 | |
| 284 | M | A | -1.8062 | |
| 285 | D | A | -2.9142 | |
| 286 | D | A | -2.5242 | |
| 287 | S | A | -1.3896 | |
| 288 | Y | A | 0.0000 | |
| 289 | A | A | -0.8688 | |
| 290 | S | A | -0.6104 | |
| 291 | A | A | 0.0000 | |
| 292 | I | A | -0.2287 | |
| 293 | S | A | -0.5761 | |
| 294 | I | A | 0.0000 | |
| 295 | L | A | 0.0000 | |
| 296 | K | A | -1.6990 | |
| 297 | E | A | -1.3478 | |
| 298 | C | A | 0.0000 | |
| 299 | V | A | 0.0000 | |
| 300 | A | A | -1.0281 | |
| 301 | A | A | -0.8963 | |
| 302 | D | A | -1.6843 | |
| 303 | S | A | -0.7423 | |
| 304 | I | A | -0.0679 | |
| 305 | Y | A | 0.8409 | |
| 306 | S | A | -0.0289 | |
| 307 | L | A | -0.6084 | |
| 308 | T | A | -1.7458 | |
| 309 | D | A | -3.4040 | |
| 310 | K | A | -3.6028 | |
| 311 | T | A | 0.0000 | |
| 312 | E | A | -2.9175 | |
| 313 | D | A | -2.4625 | |
| 314 | F | A | -1.2622 | |
| 315 | F | A | -0.2999 | |
| 316 | I | A | 0.6348 | |
| 317 | S | A | -0.4578 | |
| 318 | L | A | 0.0000 | |
| 319 | E | A | -1.7174 | |
| 320 | G | A | -2.0030 | |
| 321 | A | A | -2.1233 | |
| 322 | Q | A | -2.2849 | |
| 323 | E | A | -3.4342 | |
| 324 | D | A | -3.4328 | |
| 325 | A | A | 0.0000 | |
| 326 | Y | A | -1.6023 | |
| 327 | E | A | -2.8117 | |
| 328 | T | A | -1.8158 | |
| 329 | L | A | 0.0000 | |
| 330 | A | A | -0.9010 | |
| 331 | N | A | -1.1474 | |
| 332 | V | A | 0.0000 | |
| 333 | S | A | -0.3686 | |
| 334 | S | A | -0.5685 | |
| 335 | S | A | -0.5429 | |
| 336 | L | A | 0.0000 | |
| 337 | F | A | -0.2650 | |
| 338 | D | A | -1.8706 | |
| 339 | I | A | 0.0000 | |
| 340 | Y | A | -0.6010 | |
| 341 | T | A | -1.3766 | |
| 342 | E | A | -2.5483 | |
| 343 | Y | A | -2.0566 | |
| 344 | S | A | -2.2112 | |
| 345 | E | A | -3.1812 | |
| 346 | V | A | -2.5284 | |
| 347 | I | A | 0.0000 | |
| 348 | E | A | -3.7739 | |
| 349 | E | A | -3.4233 | |
| 350 | A | A | -2.5093 | |
| 351 | G | A | -2.0930 | |
| 352 | M | A | 0.0000 | |
| 353 | T | A | -1.9933 | |
| 354 | D | A | -2.0007 | |
| 355 | V | A | -0.9427 | |
| 356 | Y | A | 0.0000 | |
| 357 | S | A | -0.6793 | |
| 358 | G | A | 0.0000 | |
| 359 | L | A | 0.0000 | |
| 360 | I | A | -0.0809 | |
| 361 | K | A | -0.7279 | |
| 362 | A | A | 0.0000 | |
| 363 | D | A | -0.4690 | |
| 364 | K | A | -0.5735 | |
| 365 | L | A | 0.0000 | |
| 366 | T | A | 0.0000 | |
| 367 | S | A | -0.1226 | |
| 368 | T | A | 0.0177 | |
| 369 | S | A | 0.1375 | |
| 370 | L | A | 0.4963 | |
| 371 | F | A | 0.2423 | |
| 372 | I | A | -0.1698 | |
| 373 | D | A | -1.9506 | |
| 374 | L | A | -1.7978 | |
| 375 | D | A | -3.0587 | |
| 376 | K | A | -3.3696 | |
| 377 | E | A | -2.6115 | |
| 378 | I | A | 0.2516 | |
| 379 | R | A | -0.8508 | |
| 380 | V | A | 1.2856 | |
| 381 | V | A | 0.8908 | |
| 382 | N | A | -1.3350 | |
| 383 | D | A | -2.6823 | |
| 384 | A | A | -2.4387 | |
| 385 | A | A | 0.0000 | |
| 386 | D | A | -3.6097 | |
| 387 | D | A | -3.4971 | |
| 388 | E | A | -3.3255 | |
| 389 | Y | A | -2.3996 | |
| 390 | I | A | 0.0000 | |
| 391 | E | A | -2.8629 | |
| 392 | K | A | -3.2452 | |
| 393 | V | A | -2.1189 | |
| 394 | Y | A | 0.0000 | |
| 395 | K | A | -3.3820 | |
| 396 | D | A | -3.5093 | |
| 397 | L | A | 0.0000 | |
| 398 | E | A | -2.9485 | |
| 399 | E | A | -3.0981 | |
| 400 | G | A | -2.0639 | |
| 401 | F | A | 0.0000 | |
| 402 | R | A | -2.0437 | |
| 403 | G | A | -1.7531 | |
| 404 | L | A | -1.3522 | |
| 405 | F | A | 0.0000 | |
| 406 | E | A | -2.5845 | |
| 407 | K | A | -2.3686 | |
| 408 | L | A | -0.8567 | |
| 409 | G | A | -0.5834 | |
| 410 | V | A | 0.8556 | |
| 411 | S | A | 0.1921 | |
| 412 | L | A | -0.1708 | |
| 413 | R | A | -0.5136 | |
| 414 | R | A | -0.4298 | |
| 415 | G | A | 0.0000 | |
| 416 | V | A | 0.0000 | |
| 417 | M | A | 0.0000 | |
| 418 | A | A | 0.0000 | |
| 419 | K | A | -0.3495 | |
| 420 | V | A | 0.0000 | |
| 421 | L | A | 0.0000 | |
| 422 | S | A | 0.0607 | |
| 423 | V | A | 0.6358 | |
| 424 | I | A | 0.0000 | |
| 425 | P | A | 0.4675 | |
| 426 | V | A | 0.2790 | |
| 427 | F | A | 0.0780 | |
| 428 | F | A | -1.0924 | |
| 429 | N | A | -2.0592 | |
| 430 | N | A | -2.7235 | |
| 431 | K | A | -3.2913 | |
| 432 | E | A | -3.7179 | |
| 433 | E | A | -2.9732 | |
| 434 | I | A | 0.0000 | |
| 435 | K | A | -2.6824 | |
| 436 | E | A | -2.1767 | |
| 437 | Y | A | -0.9873 | |
| 438 | F | A | 0.0000 | |
| 439 | L | A | -1.2722 | |
| 440 | Y | A | -0.7218 | |
| 441 | A | A | 0.0000 | |
| 442 | L | A | 0.0000 | |
| 443 | D | A | -2.7864 | |
| 444 | R | A | -2.6123 | |
| 445 | C | A | 0.0000 | |
| 446 | S | A | -2.0096 | |
| 447 | D | A | -2.1876 | |
| 448 | E | A | -2.2384 | |
| 449 | T | A | -1.1922 | |
| 450 | E | A | 0.0000 | |
| 451 | L | A | 0.0000 | |
| 452 | L | A | 0.0000 | |
| 453 | A | A | 0.0000 | |
| 454 | S | A | 0.0000 | |
| 455 | V | A | 0.0000 | |
| 456 | E | A | -2.2383 | |
| 457 | I | A | -1.0697 | |
| 458 | I | A | 0.0000 | |
| 459 | N | A | -1.4894 | |
| 460 | E | A | -2.1882 | |
| 461 | M | A | -0.9114 | |
| 462 | M | A | -0.4893 | |
| 463 | L | A | 0.3988 | |
| 464 | G | A | -1.0147 | |
| 465 | D | A | -1.9708 |
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