| Chain sequence(s) |
A: MAEGRGRNQGCKAIKTPARDGGCLSTKLKKGKHLSKKPTDRSKERARVNIGVAFTRWRSLKAAKGLKSDEALAQCLLDVMKRQPPSQASSSSSDKKIRVSTSEIRTLIEQEIHMTIKKNETKLQGLIETIQQLDCGVDYESSIRKLEAKIDTVAKRAEAALAYMTKTEKKSSLPSLVNVDIIKTDSGGGKIETVKQNDESKDCMDKGGKLFQMMETTKKALKKMRSNNEALTAAITELSEESPPPVFDSIGSPNIKKETEDEQHKQNTEEFEEPKAKRVKVECLSPGSSNIPKHTDSQEPKEKLSYPPLPSTTFPSTLDDEADSYNIPQRLEVHLALIKDPPGLSVLWKVEKEDPNAPPMDSYSVYLTTEKVKGSGVFPAWKIIGEVRAIDLPMCVLINRYKLGHKLCVAVIGKDIFGRYGPYSKVVTAAIPD
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 (00:06:48)
[INFO] Main: Simulation completed successfully. (00:06:51)
|
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 | 0.6991 | |
| 2 | A | A | -0.4594 | |
| 3 | E | A | -2.2100 | |
| 4 | G | A | -2.4061 | |
| 5 | R | A | -3.1691 | |
| 6 | G | A | -2.8422 | |
| 7 | R | A | -3.4943 | |
| 8 | N | A | -2.9641 | |
| 9 | Q | A | -2.5866 | |
| 10 | G | A | -1.5261 | |
| 11 | C | A | -0.4017 | |
| 12 | K | A | -1.1831 | |
| 13 | A | A | -0.1449 | |
| 14 | I | A | 0.8341 | |
| 15 | K | A | -1.0165 | |
| 16 | T | A | -0.6110 | |
| 17 | P | A | -1.0255 | |
| 18 | A | A | -1.3652 | |
| 19 | R | A | -2.8717 | |
| 20 | D | A | -3.0481 | |
| 21 | G | A | -1.8510 | |
| 22 | G | A | -0.3870 | |
| 23 | C | A | 1.1127 | |
| 24 | L | A | 1.6816 | |
| 25 | S | A | 0.2696 | |
| 26 | T | A | -0.3014 | |
| 27 | K | A | -1.6429 | |
| 28 | L | A | -0.6135 | |
| 29 | K | A | -2.3084 | |
| 30 | K | A | -2.9047 | |
| 31 | G | A | -2.5936 | |
| 32 | K | A | -2.4707 | |
| 33 | H | A | -1.4251 | |
| 34 | L | A | -0.1208 | |
| 35 | S | A | -1.1172 | |
| 36 | K | A | -2.8107 | |
| 37 | K | A | -3.1330 | |
| 38 | P | A | -2.9359 | |
| 39 | T | A | -3.0789 | |
| 40 | D | A | -4.6601 | |
| 41 | R | A | -4.8986 | |
| 42 | S | A | -3.8959 | |
| 43 | K | A | -4.8117 | |
| 44 | E | A | -4.9634 | |
| 45 | R | A | -4.2779 | |
| 46 | A | A | -2.7291 | |
| 47 | R | A | -2.7452 | |
| 48 | V | A | -0.2106 | |
| 49 | N | A | -0.4485 | |
| 50 | I | A | 0.3608 | |
| 51 | G | A | 0.7532 | |
| 52 | V | A | 1.5769 | |
| 53 | A | A | 0.4863 | |
| 54 | F | A | 0.7112 | |
| 55 | T | A | -0.2920 | |
| 56 | R | A | -1.3854 | |
| 57 | W | A | -0.6135 | |
| 58 | R | A | -1.3808 | |
| 59 | S | A | -1.1651 | |
| 60 | L | A | -0.9163 | |
| 61 | K | A | -1.8480 | |
| 62 | A | A | -1.1939 | |
| 63 | A | A | -0.7412 | |
| 64 | K | A | -1.6047 | |
| 65 | G | A | -1.3331 | |
| 66 | L | A | -1.6591 | |
| 67 | K | A | -2.3399 | |
| 68 | S | A | -2.0611 | |
| 69 | D | A | -2.4137 | |
| 70 | E | A | -2.7580 | |
| 71 | A | A | -1.8946 | |
| 72 | L | A | 0.0000 | |
| 73 | A | A | -1.1302 | |
| 74 | Q | A | -1.4304 | |
| 75 | C | A | -0.7405 | |
| 76 | L | A | 0.0466 | |
| 77 | L | A | -0.1616 | |
| 78 | D | A | -1.8457 | |
| 79 | V | A | -0.2988 | |
| 80 | M | A | -0.4405 | |
| 81 | K | A | -2.4605 | |
| 82 | R | A | -2.9141 | |
| 83 | Q | A | -2.3987 | |
| 84 | P | A | -1.8269 | |
| 85 | P | A | -1.4810 | |
| 86 | S | A | -1.2823 | |
| 87 | Q | A | -1.4847 | |
| 88 | A | A | -0.8304 | |
| 89 | S | A | -0.7739 | |
| 90 | S | A | -0.6432 | |
| 91 | S | A | -0.5149 | |
| 92 | S | A | -1.0597 | |
| 93 | S | A | -1.9145 | |
| 94 | D | A | -3.1672 | |
| 95 | K | A | -3.2819 | |
| 96 | K | A | -2.6236 | |
| 97 | I | A | -0.1648 | |
| 98 | R | A | -1.9436 | |
| 99 | V | A | -0.2810 | |
| 100 | S | A | -0.8092 | |
| 101 | T | A | -1.0288 | |
| 102 | S | A | -1.0386 | |
| 103 | E | A | -1.6125 | |
| 104 | I | A | -0.1804 | |
| 105 | R | A | -1.8266 | |
| 106 | T | A | -1.1096 | |
| 107 | L | A | 0.0147 | |
| 108 | I | A | -0.2517 | |
| 109 | E | A | -1.4936 | |
| 110 | Q | A | -1.4092 | |
| 111 | E | A | -1.5358 | |
| 112 | I | A | -0.0141 | |
| 113 | H | A | -1.2663 | |
| 114 | M | A | -1.3721 | |
| 115 | T | A | -1.2383 | |
| 116 | I | A | -0.9984 | |
| 117 | K | A | -2.9529 | |
| 118 | K | A | -3.3347 | |
| 119 | N | A | -3.1308 | |
| 120 | E | A | -3.4204 | |
| 121 | T | A | -2.7236 | |
| 122 | K | A | -2.8100 | |
| 123 | L | A | -1.3349 | |
| 124 | Q | A | -1.5991 | |
| 125 | G | A | -0.9543 | |
| 126 | L | A | 0.5777 | |
| 127 | I | A | 1.0409 | |
| 128 | E | A | -1.3475 | |
| 129 | T | A | -0.0712 | |
| 130 | I | A | 0.6719 | |
| 131 | Q | A | -1.2054 | |
| 132 | Q | A | -0.9601 | |
| 133 | L | A | 0.3551 | |
| 134 | D | A | -1.1997 | |
| 135 | C | A | -0.1503 | |
| 136 | G | A | 0.1163 | |
| 137 | V | A | 0.8083 | |
| 138 | D | A | -1.1253 | |
| 139 | Y | A | -0.3670 | |
| 140 | E | A | -1.9619 | |
| 141 | S | A | -1.8554 | |
| 142 | S | A | -1.2743 | |
| 143 | I | A | -1.6903 | |
| 144 | R | A | -3.2420 | |
| 145 | K | A | -2.9654 | |
| 146 | L | A | -1.6431 | |
| 147 | E | A | -2.5632 | |
| 148 | A | A | -2.1184 | |
| 149 | K | A | -1.9566 | |
| 150 | I | A | -0.4788 | |
| 151 | D | A | -2.0367 | |
| 152 | T | A | -1.4610 | |
| 153 | V | A | -0.4015 | |
| 154 | A | A | -1.4382 | |
| 155 | K | A | -2.9199 | |
| 156 | R | A | -2.5067 | |
| 157 | A | A | -1.4887 | |
| 158 | E | A | -1.9564 | |
| 159 | A | A | -0.8417 | |
| 160 | A | A | -0.0144 | |
| 161 | L | A | 0.9473 | |
| 162 | A | A | 0.6195 | |
| 163 | Y | A | 1.0607 | |
| 164 | M | A | 0.4850 | |
| 165 | T | A | -0.7494 | |
| 166 | K | A | -1.9523 | |
| 167 | T | A | -1.9736 | |
| 168 | E | A | -3.1270 | |
| 169 | K | A | -3.3931 | |
| 170 | K | A | -3.1438 | |
| 171 | S | A | -2.0252 | |
| 172 | S | A | -1.1963 | |
| 173 | L | A | 0.4148 | |
| 174 | P | A | 0.3961 | |
| 175 | S | A | 0.9951 | |
| 176 | L | A | 2.1893 | |
| 177 | V | A | 2.2299 | |
| 178 | N | A | 0.4836 | |
| 179 | V | A | 0.9846 | |
| 180 | D | A | 0.3001 | |
| 181 | I | A | 2.1090 | |
| 182 | I | A | 1.7789 | |
| 183 | K | A | -0.6794 | |
| 184 | T | A | -1.5109 | |
| 185 | D | A | -2.5228 | |
| 186 | S | A | -1.5225 | |
| 187 | G | A | -1.6304 | |
| 188 | G | A | -1.3845 | |
| 189 | G | A | -1.4555 | |
| 190 | K | A | -1.5616 | |
| 191 | I | A | 0.2705 | |
| 192 | E | A | -1.0323 | |
| 193 | T | A | -0.2458 | |
| 194 | V | A | 0.4309 | |
| 195 | K | A | -2.1050 | |
| 196 | Q | A | -3.0247 | |
| 197 | N | A | -3.6919 | |
| 198 | D | A | -4.0914 | |
| 199 | E | A | -3.9224 | |
| 200 | S | A | -3.0841 | |
| 201 | K | A | -3.0689 | |
| 202 | D | A | -2.9497 | |
| 203 | C | A | -1.1696 | |
| 204 | M | A | -1.1182 | |
| 205 | D | A | -2.9991 | |
| 206 | K | A | -2.7682 | |
| 207 | G | A | -1.2843 | |
| 208 | G | A | -1.4244 | |
| 209 | K | A | -1.9063 | |
| 210 | L | A | 0.3966 | |
| 211 | F | A | 1.1129 | |
| 212 | Q | A | -0.7703 | |
| 213 | M | A | 0.2566 | |
| 214 | M | A | 0.1355 | |
| 215 | E | A | -1.5070 | |
| 216 | T | A | -1.2322 | |
| 217 | T | A | -1.4473 | |
| 218 | K | A | -2.8168 | |
| 219 | K | A | -3.4506 | |
| 220 | A | A | -2.3252 | |
| 221 | L | A | -2.4180 | |
| 222 | K | A | -3.9619 | |
| 223 | K | A | -3.9703 | |
| 224 | M | A | -2.8435 | |
| 225 | R | A | -3.9360 | |
| 226 | S | A | -3.2459 | |
| 227 | N | A | -3.1312 | |
| 228 | N | A | -3.1897 | |
| 229 | E | A | -2.8380 | |
| 230 | A | A | -0.9921 | |
| 231 | L | A | 0.0301 | |
| 232 | T | A | -0.2470 | |
| 233 | A | A | -0.0644 | |
| 234 | A | A | 0.6687 | |
| 235 | I | A | 1.5263 | |
| 236 | T | A | 0.0997 | |
| 237 | E | A | -1.2738 | |
| 238 | L | A | 0.1727 | |
| 239 | S | A | -1.0336 | |
| 240 | E | A | -2.7586 | |
| 241 | E | A | -2.8817 | |
| 242 | S | A | -1.8661 | |
| 243 | P | A | -0.9949 | |
| 244 | P | A | -0.1508 | |
| 245 | P | A | 0.6907 | |
| 246 | V | A | 2.0710 | |
| 247 | F | A | 1.9985 | |
| 248 | D | A | -0.1466 | |
| 249 | S | A | 0.2628 | |
| 250 | I | A | 1.4652 | |
| 251 | G | A | 0.3384 | |
| 252 | S | A | -0.4026 | |
| 253 | P | A | -0.6483 | |
| 254 | N | A | -0.8681 | |
| 255 | I | A | 0.1336 | |
| 256 | K | A | -2.2655 | |
| 257 | K | A | -3.0773 | |
| 258 | E | A | -3.4705 | |
| 259 | T | A | -2.7088 | |
| 260 | E | A | -3.5875 | |
| 261 | D | A | -3.9564 | |
| 262 | E | A | -3.9778 | |
| 263 | Q | A | -3.3777 | |
| 264 | H | A | -3.1328 | |
| 265 | K | A | -3.2929 | |
| 266 | Q | A | -3.0985 | |
| 267 | N | A | -2.6926 | |
| 268 | T | A | -2.1562 | |
| 269 | E | A | -2.7150 | |
| 270 | E | A | -2.1715 | |
| 271 | F | A | -0.6929 | |
| 272 | E | A | -2.2121 | |
| 273 | E | A | -2.8229 | |
| 274 | P | A | -2.4371 | |
| 275 | K | A | -2.5458 | |
| 276 | A | A | -2.0920 | |
| 277 | K | A | -2.5335 | |
| 278 | R | A | -2.1198 | |
| 279 | V | A | -0.1573 | |
| 280 | K | A | -0.7152 | |
| 281 | V | A | 0.8030 | |
| 282 | E | A | -0.4593 | |
| 283 | C | A | 0.7933 | |
| 284 | L | A | 1.4309 | |
| 285 | S | A | 0.3279 | |
| 286 | P | A | -0.2101 | |
| 287 | G | A | -0.6239 | |
| 288 | S | A | -0.6626 | |
| 289 | S | A | -0.6247 | |
| 290 | N | A | -0.6849 | |
| 291 | I | A | 0.6027 | |
| 292 | P | A | -0.6246 | |
| 293 | K | A | -1.9185 | |
| 294 | H | A | -2.1107 | |
| 295 | T | A | -2.0224 | |
| 296 | D | A | -2.6787 | |
| 297 | S | A | -2.3441 | |
| 298 | Q | A | -3.0120 | |
| 299 | E | A | -3.4712 | |
| 300 | P | A | -3.1260 | |
| 301 | K | A | -3.9953 | |
| 302 | E | A | -3.7372 | |
| 303 | K | A | -2.8644 | |
| 304 | L | A | -1.0821 | |
| 305 | S | A | -0.0641 | |
| 306 | Y | A | 0.7779 | |
| 307 | P | A | 0.3595 | |
| 308 | P | A | 0.0246 | |
| 309 | L | A | 0.3205 | |
| 310 | P | A | -0.0997 | |
| 311 | S | A | -0.0214 | |
| 312 | T | A | 0.3422 | |
| 313 | T | A | 0.8111 | |
| 314 | F | A | 1.9511 | |
| 315 | P | A | 0.8310 | |
| 316 | S | A | 0.3829 | |
| 317 | T | A | -0.1416 | |
| 318 | L | A | -0.8958 | |
| 319 | D | A | -3.0670 | |
| 320 | D | A | -3.6988 | |
| 321 | E | A | -3.3039 | |
| 322 | A | A | 0.0000 | |
| 323 | D | A | -2.9471 | |
| 324 | S | A | -2.0843 | |
| 325 | Y | A | -1.1141 | |
| 326 | N | A | -0.8895 | |
| 327 | I | A | 0.8089 | |
| 328 | P | A | 0.0000 | |
| 329 | Q | A | -1.5496 | |
| 330 | R | A | -2.1679 | |
| 331 | L | A | 0.0000 | |
| 332 | E | A | -2.2230 | |
| 333 | V | A | -0.9532 | |
| 334 | H | A | -0.2980 | |
| 335 | L | A | 0.6912 | |
| 336 | A | A | 0.6533 | |
| 337 | L | A | 0.6622 | |
| 338 | I | A | -0.3064 | |
| 339 | K | A | -2.1910 | |
| 340 | D | A | -2.5519 | |
| 341 | P | A | -1.7722 | |
| 342 | P | A | -1.7108 | |
| 343 | G | A | 0.0000 | |
| 344 | L | A | 0.0000 | |
| 345 | S | A | 0.9217 | |
| 346 | V | A | 0.0000 | |
| 347 | L | A | 0.5508 | |
| 348 | W | A | 0.0000 | |
| 349 | K | A | -1.8668 | |
| 350 | V | A | -2.3506 | |
| 351 | E | A | -3.5373 | |
| 352 | K | A | -3.8480 | |
| 353 | E | A | -3.4731 | |
| 354 | D | A | -2.4982 | |
| 355 | P | A | -1.7099 | |
| 356 | N | A | -1.6187 | |
| 357 | A | A | -0.9845 | |
| 358 | P | A | 0.0000 | |
| 359 | P | A | 0.1207 | |
| 360 | M | A | 0.1926 | |
| 361 | D | A | -0.3169 | |
| 362 | S | A | 0.0000 | |
| 363 | Y | A | 0.0000 | |
| 364 | S | A | 0.0000 | |
| 365 | V | A | 0.0000 | |
| 366 | Y | A | 0.2426 | |
| 367 | L | A | 0.0000 | |
| 368 | T | A | 0.0000 | |
| 369 | T | A | -0.7748 | |
| 370 | E | A | 0.0000 | |
| 371 | K | A | -1.2604 | |
| 372 | V | A | 0.0716 | |
| 373 | K | A | -1.4964 | |
| 374 | G | A | -1.0522 | |
| 375 | S | A | -0.2940 | |
| 376 | G | A | -0.5420 | |
| 377 | V | A | 0.6073 | |
| 378 | F | A | 0.0000 | |
| 379 | P | A | -0.1541 | |
| 380 | A | A | -0.2065 | |
| 381 | W | A | -0.1422 | |
| 382 | K | A | -0.7624 | |
| 383 | I | A | 0.5388 | |
| 384 | I | A | 0.6873 | |
| 385 | G | A | -0.3906 | |
| 386 | E | A | -1.7872 | |
| 387 | V | A | -0.9644 | |
| 388 | R | A | -1.7795 | |
| 389 | A | A | -0.4412 | |
| 390 | I | A | 0.7271 | |
| 391 | D | A | -0.7689 | |
| 392 | L | A | -0.1392 | |
| 393 | P | A | -0.2359 | |
| 394 | M | A | 0.0000 | |
| 395 | C | A | 1.0326 | |
| 396 | V | A | 1.2298 | |
| 397 | L | A | 1.0348 | |
| 398 | I | A | 0.0000 | |
| 399 | N | A | -1.9930 | |
| 400 | R | A | -2.2894 | |
| 401 | Y | A | -1.4736 | |
| 402 | K | A | -2.1163 | |
| 403 | L | A | -0.4886 | |
| 404 | G | A | -0.9782 | |
| 405 | H | A | 0.0000 | |
| 406 | K | A | -0.8720 | |
| 407 | L | A | 0.0000 | |
| 408 | C | A | 0.0000 | |
| 409 | V | A | 0.0000 | |
| 410 | A | A | 0.0000 | |
| 411 | V | A | 0.0000 | |
| 412 | I | A | 0.0000 | |
| 413 | G | A | 0.0000 | |
| 414 | K | A | -0.2811 | |
| 415 | D | A | 0.0000 | |
| 416 | I | A | 1.5552 | |
| 417 | F | A | 0.5926 | |
| 418 | G | A | 0.9220 | |
| 419 | R | A | 0.0000 | |
| 420 | Y | A | 0.8645 | |
| 421 | G | A | -0.0178 | |
| 422 | P | A | -0.5019 | |
| 423 | Y | A | -0.7252 | |
| 424 | S | A | 0.0000 | |
| 425 | K | A | -1.9255 | |
| 426 | V | A | 0.0000 | |
| 427 | V | A | -0.2420 | |
| 428 | T | A | -0.1319 | |
| 429 | A | A | 0.0224 | |
| 430 | A | A | -0.5546 | |
| 431 | I | A | 0.0000 | |
| 432 | P | A | -0.8546 | |
| 433 | D | A | -1.6114 |
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