| Chain sequence(s) |
A: KLVIWINGDKGYNGLAEVGKKFEKDTGIKVTVEHPDKLEEKFPQVAATGDGPDIIFWAHDRFGGYAQSGLLAEITPDKAFQDKLYPFTWDAVRYNGKLIAYPIAVEALSLIYNKDLLPNPPKTWEEIPALDKELKAKGKSALMFNLQEPYFTWPLIAADGGYAFKYENGKYDIKDVGVDNAGAKAGLTFLVDLIKNKHMNADTDYSIAEAAFNKGETAMTINGPWAWSNIDTSKVNYGVTVLPTFKGQPSKPFVGVLSAGINAASPNKELAKEFLENYLLTDEGLEAVNKDKPLGAVALKSYEEELAKDPRIAATMENAQKGEIMPNIPQMSAFWYAVRTAVINAASGRQTVDEALKDAQTRITKGSSVPTNLEVVAATPTSLLISWDASYSSSVSYYRITYGETGGNSPVQEFTVPGSKSTATISGLSPGVDYTITVYAYSYYYYYYSSPISINYRT
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 (00:06:54)
[INFO] Main: Simulation completed successfully. (00:06:57)
|
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 | |
| 6 | K | A | -2.0756 | |
| 7 | L | A | 0.0000 | |
| 8 | V | A | -0.1724 | |
| 9 | I | A | 0.0000 | |
| 10 | W | A | -0.2970 | |
| 11 | I | A | 0.0000 | |
| 12 | N | A | -2.0099 | |
| 13 | G | A | -2.2399 | |
| 14 | D | A | -2.3952 | |
| 15 | K | A | -2.0484 | |
| 16 | G | A | 0.0000 | |
| 17 | Y | A | -1.5354 | |
| 18 | N | A | -2.1495 | |
| 19 | G | A | 0.0000 | |
| 20 | L | A | 0.0000 | |
| 21 | A | A | -1.8513 | |
| 22 | E | A | -3.0493 | |
| 23 | V | A | 0.0000 | |
| 24 | G | A | 0.0000 | |
| 25 | K | A | -4.1345 | |
| 26 | K | A | -3.7919 | |
| 27 | F | A | 0.0000 | |
| 28 | E | A | -4.0299 | |
| 29 | K | A | -4.0115 | |
| 30 | D | A | -3.1745 | |
| 31 | T | A | -2.1586 | |
| 32 | G | A | -2.4340 | |
| 33 | I | A | -2.3083 | |
| 34 | K | A | -2.9002 | |
| 35 | V | A | -1.8139 | |
| 36 | T | A | -0.6943 | |
| 37 | V | A | -0.5975 | |
| 38 | E | A | -1.2304 | |
| 39 | H | A | -1.9706 | |
| 40 | P | A | -2.0583 | |
| 41 | D | A | -3.3580 | |
| 42 | K | A | -3.6049 | |
| 43 | L | A | 0.0000 | |
| 44 | E | A | -2.6077 | |
| 45 | E | A | -3.4571 | |
| 46 | K | A | -2.7852 | |
| 47 | F | A | 0.0000 | |
| 48 | P | A | -1.5550 | |
| 49 | Q | A | -1.9377 | |
| 50 | V | A | -1.3102 | |
| 51 | A | A | 0.0000 | |
| 52 | A | A | -0.7254 | |
| 53 | T | A | -0.8786 | |
| 54 | G | A | -1.4395 | |
| 55 | D | A | -2.0985 | |
| 56 | G | A | -1.1510 | |
| 57 | P | A | 0.0000 | |
| 58 | D | A | 0.0000 | |
| 59 | I | A | 0.0000 | |
| 60 | I | A | 0.0000 | |
| 61 | F | A | 0.0000 | |
| 62 | W | A | -0.3528 | |
| 63 | A | A | -0.7947 | |
| 64 | H | A | 0.0000 | |
| 65 | D | A | -2.0151 | |
| 66 | R | A | -2.1415 | |
| 67 | F | A | 0.0000 | |
| 68 | G | A | 0.0000 | |
| 69 | G | A | -1.1423 | |
| 70 | Y | A | 0.0000 | |
| 71 | A | A | -0.9407 | |
| 72 | Q | A | 0.0000 | |
| 73 | S | A | -0.5731 | |
| 74 | G | A | -0.7963 | |
| 75 | L | A | 0.0000 | |
| 76 | L | A | 0.0000 | |
| 77 | A | A | 0.0000 | |
| 78 | E | A | -2.3282 | |
| 79 | I | A | 0.0000 | |
| 80 | T | A | -1.3938 | |
| 81 | P | A | 0.0000 | |
| 82 | D | A | -2.9409 | |
| 83 | K | A | -3.2856 | |
| 84 | A | A | -2.2767 | |
| 85 | F | A | 0.0000 | |
| 86 | Q | A | -2.6259 | |
| 87 | D | A | -3.2252 | |
| 88 | K | A | -2.4221 | |
| 89 | L | A | 0.0000 | |
| 90 | Y | A | -0.9098 | |
| 91 | P | A | -0.9213 | |
| 92 | F | A | -0.3914 | |
| 93 | T | A | 0.0000 | |
| 94 | W | A | 0.0000 | |
| 95 | D | A | -0.8882 | |
| 96 | A | A | 0.0000 | |
| 97 | V | A | 0.0000 | |
| 98 | R | A | -1.7190 | |
| 99 | Y | A | 0.0000 | |
| 100 | N | A | -1.8544 | |
| 101 | G | A | -2.1896 | |
| 102 | K | A | -2.2413 | |
| 103 | L | A | -1.4490 | |
| 104 | I | A | 0.0000 | |
| 105 | A | A | 0.0000 | |
| 106 | Y | A | 0.0000 | |
| 107 | P | A | 0.0000 | |
| 108 | I | A | 0.0000 | |
| 109 | A | A | 0.0000 | |
| 110 | V | A | 0.0000 | |
| 111 | E | A | -1.1312 | |
| 112 | A | A | 0.0000 | |
| 113 | L | A | 0.0000 | |
| 114 | S | A | 0.0000 | |
| 115 | L | A | 0.0000 | |
| 116 | I | A | 0.0000 | |
| 117 | Y | A | -0.7565 | |
| 118 | N | A | 0.0000 | |
| 119 | K | A | -2.7043 | |
| 120 | D | A | -2.7135 | |
| 121 | L | A | -1.7540 | |
| 122 | L | A | 0.0000 | |
| 123 | P | A | -1.8271 | |
| 124 | N | A | -2.0439 | |
| 125 | P | A | -1.3894 | |
| 126 | P | A | -1.6452 | |
| 127 | K | A | -2.3217 | |
| 128 | T | A | -2.0996 | |
| 129 | W | A | 0.0000 | |
| 130 | E | A | -2.3956 | |
| 131 | E | A | -2.1550 | |
| 132 | I | A | 0.0000 | |
| 133 | P | A | -1.8683 | |
| 134 | A | A | -1.6457 | |
| 135 | L | A | -1.6215 | |
| 136 | D | A | 0.0000 | |
| 137 | K | A | -3.4184 | |
| 138 | E | A | -3.3942 | |
| 139 | L | A | 0.0000 | |
| 140 | K | A | -3.2709 | |
| 141 | A | A | -2.6064 | |
| 142 | K | A | -2.9927 | |
| 143 | G | A | -2.6800 | |
| 144 | K | A | -2.6523 | |
| 145 | S | A | 0.0000 | |
| 146 | A | A | 0.0000 | |
| 147 | L | A | 0.0000 | |
| 148 | M | A | -0.1161 | |
| 149 | F | A | 0.0000 | |
| 150 | N | A | 0.0000 | |
| 151 | L | A | 0.0000 | |
| 152 | Q | A | -1.1429 | |
| 153 | E | A | -0.7715 | |
| 154 | P | A | 0.0000 | |
| 155 | Y | A | 0.2440 | |
| 156 | F | A | 0.0000 | |
| 157 | T | A | 0.0000 | |
| 158 | W | A | 0.0000 | |
| 159 | P | A | 0.0000 | |
| 160 | L | A | 0.0000 | |
| 161 | I | A | 0.0000 | |
| 162 | A | A | 0.0000 | |
| 163 | A | A | 0.0000 | |
| 164 | D | A | -1.0755 | |
| 165 | G | A | -0.5493 | |
| 166 | G | A | 0.0000 | |
| 167 | Y | A | -0.3443 | |
| 168 | A | A | 0.0000 | |
| 169 | F | A | 0.0000 | |
| 170 | K | A | -2.1891 | |
| 171 | Y | A | -2.1477 | |
| 172 | E | A | -3.2037 | |
| 173 | N | A | -3.0152 | |
| 174 | G | A | -2.6749 | |
| 175 | K | A | -3.3087 | |
| 176 | Y | A | -2.3585 | |
| 177 | D | A | -2.8634 | |
| 178 | I | A | -1.6609 | |
| 179 | K | A | -2.5101 | |
| 180 | D | A | -1.8183 | |
| 181 | V | A | 0.0000 | |
| 182 | G | A | 0.0000 | |
| 183 | V | A | 0.0000 | |
| 184 | D | A | -1.8818 | |
| 185 | N | A | -1.1380 | |
| 186 | A | A | -0.6555 | |
| 187 | G | A | 0.0000 | |
| 188 | A | A | 0.0000 | |
| 189 | K | A | -1.2982 | |
| 190 | A | A | -0.6770 | |
| 191 | G | A | 0.0000 | |
| 192 | L | A | 0.0000 | |
| 193 | T | A | -0.6247 | |
| 194 | F | A | -0.6650 | |
| 195 | L | A | 0.0000 | |
| 196 | V | A | 0.0000 | |
| 197 | D | A | -2.6275 | |
| 198 | L | A | 0.0000 | |
| 199 | I | A | 0.0000 | |
| 200 | K | A | -3.6456 | |
| 201 | N | A | -3.4884 | |
| 202 | K | A | -3.5842 | |
| 203 | H | A | 0.0000 | |
| 204 | M | A | 0.0000 | |
| 205 | N | A | -2.6834 | |
| 206 | A | A | -2.0251 | |
| 207 | D | A | -2.1948 | |
| 208 | T | A | 0.0000 | |
| 209 | D | A | -0.9029 | |
| 210 | Y | A | 0.1962 | |
| 211 | S | A | 0.3731 | |
| 212 | I | A | 0.9440 | |
| 213 | A | A | 0.0000 | |
| 214 | E | A | -0.5751 | |
| 215 | A | A | -0.6106 | |
| 216 | A | A | 0.0000 | |
| 217 | F | A | 0.0000 | |
| 218 | N | A | -2.2212 | |
| 219 | K | A | -2.6260 | |
| 220 | G | A | -2.3726 | |
| 221 | E | A | -2.5974 | |
| 222 | T | A | 0.0000 | |
| 223 | A | A | 0.0000 | |
| 224 | M | A | 0.0000 | |
| 225 | T | A | 0.0000 | |
| 226 | I | A | 0.0000 | |
| 227 | N | A | 0.0000 | |
| 228 | G | A | 0.0000 | |
| 229 | P | A | 0.0381 | |
| 230 | W | A | 0.4348 | |
| 231 | A | A | 0.0000 | |
| 232 | W | A | 0.0000 | |
| 233 | S | A | -1.2107 | |
| 234 | N | A | -2.0040 | |
| 235 | I | A | 0.0000 | |
| 236 | D | A | -2.6207 | |
| 237 | T | A | -1.7933 | |
| 238 | S | A | -2.2248 | |
| 239 | K | A | -2.8245 | |
| 240 | V | A | -2.4678 | |
| 241 | N | A | -2.5794 | |
| 242 | Y | A | -1.6517 | |
| 243 | G | A | 0.0000 | |
| 244 | V | A | 0.0000 | |
| 245 | T | A | -0.3518 | |
| 246 | V | A | -0.4829 | |
| 247 | L | A | 0.0000 | |
| 248 | P | A | 0.0000 | |
| 249 | T | A | -1.5651 | |
| 250 | F | A | 0.0000 | |
| 251 | K | A | -2.2843 | |
| 252 | G | A | -1.8808 | |
| 253 | Q | A | -1.4524 | |
| 254 | P | A | -1.1135 | |
| 255 | S | A | 0.0000 | |
| 256 | K | A | -0.9827 | |
| 257 | P | A | 0.0000 | |
| 258 | F | A | -0.4345 | |
| 259 | V | A | 0.0000 | |
| 260 | G | A | -0.8277 | |
| 261 | V | A | 0.0000 | |
| 262 | L | A | -0.1882 | |
| 263 | S | A | 0.0000 | |
| 264 | A | A | 0.0000 | |
| 265 | G | A | 0.0000 | |
| 266 | I | A | 0.0000 | |
| 267 | N | A | 0.0000 | |
| 268 | A | A | -0.7709 | |
| 269 | A | A | -0.7521 | |
| 270 | S | A | 0.0000 | |
| 271 | P | A | -0.9429 | |
| 272 | N | A | 0.0000 | |
| 273 | K | A | -2.0312 | |
| 274 | E | A | -2.5711 | |
| 275 | L | A | -1.7323 | |
| 276 | A | A | 0.0000 | |
| 277 | K | A | -2.1409 | |
| 278 | E | A | -2.2831 | |
| 279 | F | A | 0.0000 | |
| 280 | L | A | 0.0000 | |
| 281 | E | A | -1.2709 | |
| 282 | N | A | -1.6929 | |
| 283 | Y | A | -1.3418 | |
| 284 | L | A | 0.0000 | |
| 285 | L | A | 0.0000 | |
| 286 | T | A | -1.6820 | |
| 287 | D | A | -2.3936 | |
| 288 | E | A | -2.5820 | |
| 289 | G | A | 0.0000 | |
| 290 | L | A | 0.0000 | |
| 291 | E | A | -2.5651 | |
| 292 | A | A | -2.4886 | |
| 293 | V | A | 0.0000 | |
| 294 | N | A | -2.1247 | |
| 295 | K | A | -2.8157 | |
| 296 | D | A | -2.6752 | |
| 297 | K | A | -2.3470 | |
| 298 | P | A | -1.5760 | |
| 299 | L | A | -0.8738 | |
| 300 | G | A | -0.3911 | |
| 301 | A | A | 0.0000 | |
| 302 | V | A | 0.0000 | |
| 303 | A | A | 0.0000 | |
| 304 | L | A | 0.0000 | |
| 305 | K | A | -2.0244 | |
| 306 | S | A | -1.8213 | |
| 307 | Y | A | 0.0000 | |
| 308 | E | A | 0.0000 | |
| 309 | E | A | -3.1553 | |
| 310 | E | A | -3.2226 | |
| 311 | L | A | 0.0000 | |
| 312 | A | A | -2.2384 | |
| 313 | K | A | -2.7275 | |
| 314 | D | A | -1.7579 | |
| 315 | P | A | -0.9941 | |
| 316 | R | A | -0.8988 | |
| 317 | I | A | -1.1379 | |
| 318 | A | A | -1.2360 | |
| 319 | A | A | 0.0000 | |
| 320 | T | A | 0.0000 | |
| 321 | M | A | 0.0000 | |
| 322 | E | A | -1.5513 | |
| 323 | N | A | 0.0000 | |
| 324 | A | A | 0.0000 | |
| 325 | Q | A | -1.7353 | |
| 326 | K | A | -1.7954 | |
| 327 | G | A | -1.3868 | |
| 328 | E | A | -1.2214 | |
| 329 | I | A | -0.7713 | |
| 330 | M | A | -0.3773 | |
| 331 | P | A | 0.0000 | |
| 332 | N | A | -1.0404 | |
| 333 | I | A | 0.0000 | |
| 334 | P | A | -0.7144 | |
| 335 | Q | A | -0.2640 | |
| 336 | M | A | 0.0000 | |
| 337 | S | A | 0.2367 | |
| 338 | A | A | 0.0170 | |
| 339 | F | A | 0.0000 | |
| 340 | W | A | 0.3206 | |
| 341 | Y | A | 0.7925 | |
| 342 | A | A | 0.0000 | |
| 343 | V | A | 0.0000 | |
| 344 | R | A | -0.9008 | |
| 345 | T | A | -0.3680 | |
| 346 | A | A | 0.0000 | |
| 347 | V | A | 0.0000 | |
| 348 | I | A | -0.6372 | |
| 349 | N | A | 0.0000 | |
| 350 | A | A | 0.0000 | |
| 351 | A | A | -1.3105 | |
| 352 | S | A | -1.5055 | |
| 353 | G | A | -1.6611 | |
| 354 | R | A | -2.3039 | |
| 355 | Q | A | -2.0072 | |
| 356 | T | A | -1.8482 | |
| 357 | V | A | -1.9432 | |
| 358 | D | A | -3.2081 | |
| 359 | E | A | -3.4345 | |
| 360 | A | A | 0.0000 | |
| 361 | L | A | 0.0000 | |
| 362 | K | A | -3.1902 | |
| 363 | D | A | -2.4629 | |
| 364 | A | A | 0.0000 | |
| 365 | Q | A | -1.6959 | |
| 366 | T | A | -1.6374 | |
| 367 | R | A | -1.4155 | |
| 368 | I | A | -0.8947 | |
| 369 | T | A | -1.6141 | |
| 370 | K | A | -2.3572 | |
| 371 | G | A | -1.5032 | |
| 372 | S | A | -0.8698 | |
| 373 | S | A | -0.4413 | |
| 374 | V | A | 0.1834 | |
| 375 | P | A | 0.0000 | |
| 376 | T | A | -0.5758 | |
| 377 | N | A | -1.1908 | |
| 378 | L | A | 0.0000 | |
| 379 | E | A | -1.8523 | |
| 380 | V | A | 0.0000 | |
| 381 | V | A | -0.4301 | |
| 382 | A | A | -0.2365 | |
| 383 | A | A | -0.2552 | |
| 384 | T | A | -0.2326 | |
| 385 | P | A | -0.7753 | |
| 386 | T | A | -0.5049 | |
| 387 | S | A | -0.3326 | |
| 388 | L | A | 0.0000 | |
| 389 | L | A | 0.0831 | |
| 390 | I | A | 0.0000 | |
| 391 | S | A | 0.0000 | |
| 392 | W | A | 0.0000 | |
| 393 | D | A | 0.0000 | |
| 394 | A | A | 0.0000 | |
| 395 | S | A | -0.5516 | |
| 396 | Y | A | -0.2739 | |
| 397 | S | A | -0.4854 | |
| 398 | S | A | -0.1880 | |
| 399 | S | A | 0.2336 | |
| 400 | V | A | 0.0000 | |
| 401 | S | A | 1.0269 | |
| 402 | Y | A | 0.4414 | |
| 403 | Y | A | 0.0000 | |
| 404 | R | A | -0.3481 | |
| 405 | I | A | 0.0000 | |
| 406 | T | A | 0.0000 | |
| 407 | Y | A | -0.5499 | |
| 408 | G | A | -1.2708 | |
| 409 | E | A | -2.3060 | |
| 410 | T | A | -1.9508 | |
| 411 | G | A | -1.5406 | |
| 412 | G | A | -1.7694 | |
| 413 | N | A | -1.6797 | |
| 414 | S | A | -1.0516 | |
| 415 | P | A | -0.4947 | |
| 416 | V | A | 0.1657 | |
| 417 | Q | A | -1.1829 | |
| 418 | E | A | -1.7198 | |
| 419 | F | A | -0.6160 | |
| 420 | T | A | -0.2091 | |
| 421 | V | A | 0.0000 | |
| 422 | P | A | -0.5053 | |
| 423 | G | A | 0.0000 | |
| 424 | S | A | -0.9853 | |
| 425 | K | A | -1.4514 | |
| 426 | S | A | -0.8710 | |
| 427 | T | A | -0.6199 | |
| 428 | A | A | 0.0000 | |
| 429 | T | A | 0.0308 | |
| 430 | I | A | 0.0000 | |
| 431 | S | A | -0.4830 | |
| 432 | G | A | -0.6416 | |
| 433 | L | A | 0.0000 | |
| 434 | S | A | -0.9655 | |
| 435 | P | A | -1.0002 | |
| 436 | G | A | -1.2722 | |
| 437 | V | A | -1.4117 | |
| 438 | D | A | -2.8754 | |
| 439 | Y | A | 0.0000 | |
| 440 | T | A | -1.1154 | |
| 441 | I | A | 0.0000 | |
| 442 | T | A | -0.3187 | |
| 443 | V | A | 0.0000 | |
| 444 | Y | A | 0.5760 | |
| 445 | A | A | 0.0000 | |
| 446 | Y | A | 1.8834 | |
| 447 | S | A | 0.0000 | |
| 448 | Y | A | 2.6763 | |
| 449 | Y | A | 3.0824 | |
| 450 | Y | A | 3.0886 | |
| 451 | Y | A | 2.9706 | |
| 452 | Y | A | 2.2693 | |
| 453 | Y | A | 0.8972 | |
| 454 | S | A | 0.1553 | |
| 455 | S | A | -0.0769 | |
| 456 | P | A | 0.1728 | |
| 457 | I | A | 0.0679 | |
| 458 | S | A | -0.4458 | |
| 459 | I | A | -0.5790 | |
| 460 | N | A | -1.9836 | |
| 461 | Y | A | -1.6835 | |
| 462 | R | A | -2.7503 | |
| 463 | T | A | -1.5311 |
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