| Chain sequence(s) |
A: KIEEGKLVIWINGDKGYNGLAEEVGKKFEKDTGIKVTVEHPDKLEEKFPQVAATGDGPDIIFWAHDRFGGYAQSGLLAEITPDDKAFQDKLYPFTWDAVRYNGKLIAYPIAVEALSLIYNKDLLPNPPKTWEEIPALDKELKAKGKSALMFNLQEPYFTWPLIAADGGYAFKYENGKYDIKDVGVDNAGAKAGLTFLVDLIKNKHMNADTDYSSIAEAAFNKGETAMTINGPWAWSNIDTSSKVNYGVTVLPTFKGQPSKPFVGVLSAGINAASPNKELAKEEFLENYLLTDEGLEAVNKDKPLGAVALKSYEEELAKDPRIAATMENAQKGEIMMPNIPQMSAFWYAVRTAVINAASGRQTVDEALKDAQT
B: SQVQLVESGGGSVQAGGSSLRLSCVASGDIKYISSYLGWFRQAPGKEREGVAALYTSTGRTYYADSVKGRFTVSLDNAKNTVYLQMNSLKPEDTALYYCAAAEWGSQSPLTQWFYRYWGQGTQVTVSA input PDB |
| Selected Chain(s) | A,B |
| 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 all 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 (00:07:43)
[INFO] Main: Simulation completed successfully. (00:07:46)
|
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 | K | A | -2.7012 | |
| 2 | I | A | 0.0000 | |
| 3 | E | A | -3.2245 | |
| 4 | E | A | -3.2198 | |
| 5 | G | A | -2.1233 | |
| 6 | K | A | -2.0052 | |
| 7 | L | A | 0.0000 | |
| 8 | V | A | -0.4801 | |
| 9 | I | A | 0.0000 | |
| 10 | W | A | 0.0000 | |
| 11 | I | A | 0.0000 | |
| 12 | N | A | -2.1309 | |
| 13 | G | A | -2.4386 | |
| 14 | D | A | -2.5461 | |
| 15 | K | A | -2.2766 | |
| 16 | G | A | 0.0000 | |
| 17 | Y | A | -1.7099 | |
| 18 | N | A | -2.2779 | |
| 19 | G | A | 0.0000 | |
| 20 | L | A | 0.0000 | |
| 21 | A | A | -1.5632 | |
| 22 | E | A | -2.5632 | |
| 23 | V | A | 0.0000 | |
| 24 | G | A | 0.0000 | |
| 25 | K | A | -3.7095 | |
| 26 | K | A | -3.3862 | |
| 27 | F | A | 0.0000 | |
| 28 | E | A | -3.9160 | |
| 29 | K | A | -4.0065 | |
| 30 | D | A | -3.3961 | |
| 31 | T | A | -2.3221 | |
| 32 | G | A | -2.4346 | |
| 33 | I | A | -2.1533 | |
| 34 | K | A | -2.6916 | |
| 35 | V | A | 0.0000 | |
| 36 | T | A | -0.6633 | |
| 37 | V | A | -0.7347 | |
| 38 | E | A | -1.4568 | |
| 39 | H | A | -2.3106 | |
| 40 | P | A | -2.2165 | |
| 41 | D | A | -3.4270 | |
| 42 | K | A | -3.6058 | |
| 43 | L | A | 0.0000 | |
| 44 | E | A | -2.6947 | |
| 45 | E | A | -3.3429 | |
| 46 | K | A | -2.8604 | |
| 47 | F | A | 0.0000 | |
| 48 | P | A | -1.6796 | |
| 49 | Q | A | -1.9474 | |
| 50 | V | A | -1.0357 | |
| 51 | A | A | 0.0000 | |
| 52 | A | A | -0.5892 | |
| 53 | T | A | -0.7494 | |
| 54 | G | A | -1.0369 | |
| 55 | D | A | -1.7399 | |
| 56 | G | A | -1.0856 | |
| 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 | -0.3265 | |
| 63 | A | A | -0.5572 | |
| 64 | H | A | 0.0000 | |
| 65 | D | A | -1.0664 | |
| 66 | R | A | -1.6782 | |
| 67 | F | A | 0.0000 | |
| 68 | G | A | 0.0000 | |
| 69 | G | A | -1.3102 | |
| 70 | Y | A | 0.0000 | |
| 71 | A | A | -1.5996 | |
| 72 | Q | A | -1.7027 | |
| 73 | S | A | -1.0984 | |
| 74 | G | A | -1.1404 | |
| 75 | L | A | 0.0000 | |
| 76 | L | A | 0.0000 | |
| 77 | A | A | 0.0000 | |
| 78 | E | A | -1.9548 | |
| 79 | I | A | 0.0000 | |
| 80 | T | A | -1.5078 | |
| 81 | P | A | 0.0000 | |
| 82 | D | A | -2.7762 | |
| 83 | K | A | -3.0007 | |
| 84 | A | A | -1.9314 | |
| 85 | F | A | 0.0000 | |
| 86 | Q | A | -2.0673 | |
| 87 | D | A | -2.2311 | |
| 88 | K | A | -2.2132 | |
| 89 | L | A | 0.0000 | |
| 90 | Y | A | -0.5994 | |
| 91 | P | A | -0.3968 | |
| 92 | F | A | 0.0000 | |
| 93 | T | A | 0.0000 | |
| 94 | W | A | 0.0000 | |
| 95 | D | A | -0.6567 | |
| 96 | A | A | 0.0000 | |
| 97 | V | A | 0.0000 | |
| 98 | R | A | -1.4265 | |
| 99 | Y | A | -1.8608 | |
| 100 | N | A | -2.4288 | |
| 101 | G | A | -2.2871 | |
| 102 | K | A | -2.3319 | |
| 103 | L | A | -1.2828 | |
| 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 | -0.8741 | |
| 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 | -0.5141 | |
| 118 | N | A | 0.0000 | |
| 119 | K | A | -2.0778 | |
| 120 | D | A | -2.3247 | |
| 121 | L | A | -1.5005 | |
| 122 | L | A | 0.0000 | |
| 123 | P | A | -1.6764 | |
| 124 | N | A | -1.9349 | |
| 125 | P | A | -1.2850 | |
| 126 | P | A | 0.0000 | |
| 127 | K | A | -2.2277 | |
| 128 | T | A | -1.8858 | |
| 129 | W | A | 0.0000 | |
| 130 | E | A | -2.2502 | |
| 131 | E | A | -2.0132 | |
| 132 | I | A | 0.0000 | |
| 133 | P | A | -1.7538 | |
| 134 | A | A | -1.5528 | |
| 135 | L | A | -1.5922 | |
| 136 | D | A | 0.0000 | |
| 137 | K | A | -3.4023 | |
| 138 | E | A | -3.3742 | |
| 139 | L | A | 0.0000 | |
| 140 | K | A | -3.1416 | |
| 141 | A | A | -2.5468 | |
| 142 | K | A | -2.9853 | |
| 143 | G | A | -2.6220 | |
| 144 | K | A | -2.6610 | |
| 145 | S | A | -1.8731 | |
| 146 | A | A | 0.0000 | |
| 147 | L | A | 0.0000 | |
| 148 | M | A | -0.1525 | |
| 149 | F | A | 0.0000 | |
| 150 | N | A | 0.0000 | |
| 151 | L | A | 0.0000 | |
| 152 | Q | A | -1.4528 | |
| 153 | E | A | -0.8346 | |
| 154 | P | A | 0.0000 | |
| 155 | Y | A | -0.1270 | |
| 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 | 0.0000 | |
| 165 | G | A | -0.6400 | |
| 166 | G | A | 0.0000 | |
| 167 | Y | A | -0.0714 | |
| 168 | A | A | 0.0000 | |
| 169 | F | A | 0.0000 | |
| 170 | K | A | -1.6331 | |
| 171 | Y | A | -1.7769 | |
| 172 | E | A | -3.0998 | |
| 173 | N | A | -2.6674 | |
| 174 | G | A | -2.6905 | |
| 175 | K | A | -3.1218 | |
| 176 | Y | A | 0.0000 | |
| 177 | D | A | -2.0993 | |
| 178 | I | A | -0.8857 | |
| 179 | K | A | -1.8730 | |
| 180 | D | A | -1.4247 | |
| 181 | V | A | -0.6938 | |
| 182 | G | A | 0.0000 | |
| 183 | V | A | 0.0000 | |
| 184 | D | A | -2.0688 | |
| 185 | N | A | -1.1491 | |
| 186 | A | A | -0.8183 | |
| 187 | G | A | 0.0000 | |
| 188 | A | A | 0.0000 | |
| 189 | K | A | -1.3207 | |
| 190 | A | A | -0.6112 | |
| 191 | G | A | 0.0000 | |
| 192 | L | A | 0.0000 | |
| 193 | T | A | -0.3411 | |
| 194 | F | A | -0.3515 | |
| 195 | L | A | 0.0000 | |
| 196 | V | A | -1.0661 | |
| 197 | D | A | -1.7579 | |
| 198 | L | A | 0.0000 | |
| 199 | I | A | -2.4399 | |
| 200 | K | A | -3.2266 | |
| 201 | N | A | -3.1931 | |
| 202 | K | A | -3.4079 | |
| 203 | H | A | -2.3005 | |
| 204 | M | A | 0.0000 | |
| 205 | N | A | -2.6446 | |
| 206 | A | A | -1.9316 | |
| 207 | D | A | -2.2000 | |
| 208 | T | A | 0.0000 | |
| 209 | D | A | -1.0566 | |
| 210 | Y | A | -0.0855 | |
| 211 | S | A | 0.2239 | |
| 212 | I | A | 0.5435 | |
| 213 | A | A | 0.0000 | |
| 214 | E | A | -0.4805 | |
| 215 | A | A | -0.7286 | |
| 216 | A | A | 0.0000 | |
| 217 | F | A | 0.0000 | |
| 218 | N | A | -2.1346 | |
| 219 | K | A | -2.6129 | |
| 220 | G | A | -2.2739 | |
| 221 | E | A | -2.5811 | |
| 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 | 0.0009 | |
| 230 | W | A | 0.2720 | |
| 231 | A | A | 0.0000 | |
| 232 | W | A | 0.0000 | |
| 233 | S | A | -1.1385 | |
| 234 | N | A | -1.8968 | |
| 235 | I | A | 0.0000 | |
| 236 | D | A | -2.4785 | |
| 237 | T | A | -1.7454 | |
| 238 | S | A | -2.1141 | |
| 239 | K | A | -2.6564 | |
| 240 | V | A | -2.0958 | |
| 241 | N | A | -1.8275 | |
| 242 | Y | A | -1.1608 | |
| 243 | G | A | -0.4294 | |
| 244 | V | A | 0.0000 | |
| 245 | T | A | -0.3558 | |
| 246 | V | A | -0.3609 | |
| 247 | L | A | 0.0000 | |
| 248 | P | A | 0.0000 | |
| 249 | T | A | -1.3294 | |
| 250 | F | A | 0.0000 | |
| 251 | K | A | -1.9975 | |
| 252 | G | A | -1.5945 | |
| 253 | Q | A | 0.0000 | |
| 254 | P | A | 0.0000 | |
| 255 | S | A | 0.0000 | |
| 256 | K | A | -0.4855 | |
| 257 | P | A | 0.0000 | |
| 258 | F | A | 0.0000 | |
| 259 | V | A | 0.0000 | |
| 260 | G | A | -0.4297 | |
| 261 | V | A | 0.0000 | |
| 262 | L | A | 0.0000 | |
| 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 | -0.5566 | |
| 269 | A | A | -0.6777 | |
| 270 | S | A | 0.0000 | |
| 271 | P | A | -1.7660 | |
| 272 | N | A | 0.0000 | |
| 273 | K | A | -2.0870 | |
| 274 | E | A | -2.4392 | |
| 275 | L | A | -1.5797 | |
| 276 | A | A | 0.0000 | |
| 277 | K | A | -1.9600 | |
| 278 | E | A | -2.0076 | |
| 279 | F | A | 0.0000 | |
| 280 | L | A | 0.0000 | |
| 281 | E | A | -1.1821 | |
| 282 | N | A | -1.6372 | |
| 283 | Y | A | -1.3240 | |
| 284 | L | A | 0.0000 | |
| 285 | L | A | 0.0000 | |
| 286 | T | A | -1.8155 | |
| 287 | D | A | -2.5437 | |
| 288 | E | A | -2.6251 | |
| 289 | G | A | 0.0000 | |
| 290 | L | A | 0.0000 | |
| 291 | E | A | -2.8675 | |
| 292 | A | A | -2.5945 | |
| 293 | V | A | 0.0000 | |
| 294 | N | A | -2.4117 | |
| 295 | K | A | -3.1951 | |
| 296 | D | A | -3.3419 | |
| 297 | K | A | -3.0429 | |
| 298 | P | A | -1.6849 | |
| 299 | L | A | -1.0053 | |
| 300 | G | A | -0.3556 | |
| 301 | A | A | 0.0000 | |
| 302 | V | A | 0.0000 | |
| 303 | A | A | 0.0000 | |
| 304 | L | A | 0.0000 | |
| 305 | K | A | -2.2519 | |
| 306 | S | A | -2.1008 | |
| 307 | Y | A | 0.0000 | |
| 308 | E | A | 0.0000 | |
| 309 | E | A | -3.3397 | |
| 310 | E | A | -3.5520 | |
| 311 | L | A | -2.2392 | |
| 312 | A | A | -2.2580 | |
| 313 | K | A | -2.8452 | |
| 314 | D | A | -1.8440 | |
| 315 | P | A | -1.0501 | |
| 316 | R | A | -0.9063 | |
| 317 | I | A | -1.1370 | |
| 318 | A | A | -1.2703 | |
| 319 | A | A | 0.0000 | |
| 320 | T | A | 0.0000 | |
| 321 | M | A | -0.7906 | |
| 322 | E | A | -1.3228 | |
| 323 | N | A | 0.0000 | |
| 324 | A | A | 0.0000 | |
| 325 | Q | A | -0.8898 | |
| 326 | K | A | -0.8294 | |
| 327 | G | A | -0.6104 | |
| 328 | E | A | -0.2218 | |
| 329 | I | A | 0.0637 | |
| 330 | M | A | -0.0513 | |
| 331 | P | A | 0.0000 | |
| 332 | N | A | 0.0000 | |
| 333 | I | A | -0.6569 | |
| 334 | P | A | -0.6669 | |
| 335 | Q | A | -0.4251 | |
| 336 | M | A | 0.0000 | |
| 337 | S | A | 0.0470 | |
| 338 | A | A | 0.2347 | |
| 339 | F | A | 0.0000 | |
| 340 | W | A | 0.5509 | |
| 341 | Y | A | 1.1740 | |
| 342 | A | A | -0.0055 | |
| 343 | V | A | 0.0000 | |
| 344 | R | A | 0.0104 | |
| 345 | T | A | 0.0099 | |
| 346 | A | A | 0.0000 | |
| 347 | V | A | 0.0000 | |
| 348 | I | A | -0.1405 | |
| 349 | N | A | 0.0000 | |
| 350 | A | A | 0.0000 | |
| 351 | A | A | -1.0220 | |
| 352 | S | A | -1.3004 | |
| 353 | G | A | -1.5776 | |
| 354 | R | A | -2.2885 | |
| 355 | Q | A | -2.1039 | |
| 356 | T | A | -1.8211 | |
| 357 | V | A | -1.7734 | |
| 358 | D | A | -3.2103 | |
| 359 | E | A | -3.6673 | |
| 360 | A | A | 0.0000 | |
| 361 | L | A | 0.0000 | |
| 362 | K | A | -3.8655 | |
| 363 | D | A | -3.4387 | |
| 364 | A | A | -1.6915 | |
| 365 | Q | A | -1.6861 | |
| 366 | T | A | -1.2171 | |
| 0 | S | B | -1.2314 | |
| 1 | Q | B | -2.1166 | |
| 2 | V | B | 0.0000 | |
| 3 | Q | B | -1.1484 | |
| 4 | L | B | 0.0000 | |
| 5 | V | B | 0.8195 | |
| 6 | E | B | 0.0000 | |
| 7 | S | B | -0.4259 | |
| 8 | G | B | -0.9167 | |
| 9 | G | B | -0.7378 | |
| 10 | G | B | -0.5139 | |
| 11 | S | B | -0.2617 | |
| 12 | V | B | -0.2524 | |
| 13 | Q | B | -0.6841 | |
| 14 | A | B | -1.1588 | |
| 15 | G | B | -1.1186 | |
| 16 | G | B | -0.8378 | |
| 17 | S | B | -1.0847 | |
| 18 | L | B | -0.9781 | |
| 19 | R | B | -1.8632 | |
| 20 | L | B | 0.0000 | |
| 21 | S | B | -0.2299 | |
| 22 | C | B | 0.0000 | |
| 23 | V | B | 0.5067 | |
| 24 | A | B | -0.3653 | |
| 25 | S | B | -1.0369 | |
| 26 | G | B | -2.2102 | |
| 27 | D | B | -2.4533 | |
| 28 | I | B | -1.3905 | |
| 29 | K | B | -1.4548 | |
| 30 | Y | B | 0.5488 | |
| 31 | I | B | 0.4680 | |
| 32 | S | B | 0.4903 | |
| 33 | Y | B | 0.3976 | |
| 34 | L | B | 0.0000 | |
| 35 | G | B | 0.0000 | |
| 36 | W | B | 0.0000 | |
| 37 | F | B | 0.0000 | |
| 38 | R | B | 0.0000 | |
| 39 | Q | B | -1.7353 | |
| 40 | A | B | -1.5334 | |
| 41 | P | B | -1.3444 | |
| 42 | G | B | -1.8329 | |
| 43 | K | B | -3.0302 | |
| 44 | E | B | -3.3476 | |
| 45 | R | B | -2.4764 | |
| 46 | E | B | -2.2739 | |
| 47 | G | B | -0.8859 | |
| 48 | V | B | 0.0000 | |
| 49 | A | B | 0.0000 | |
| 50 | A | B | 0.0000 | |
| 51 | L | B | 0.0000 | |
| 52 | Y | B | -0.2377 | |
| 53 | T | B | -0.5298 | |
| 54 | S | B | -0.5144 | |
| 55 | T | B | -0.8520 | |
| 56 | G | B | -1.2206 | |
| 57 | R | B | -1.9393 | |
| 58 | T | B | -0.8063 | |
| 59 | Y | B | -0.5021 | |
| 60 | Y | B | -0.8227 | |
| 61 | A | B | -1.4241 | |
| 62 | D | B | -2.4190 | |
| 63 | S | B | -1.8010 | |
| 64 | V | B | 0.0000 | |
| 65 | K | B | -2.5712 | |
| 66 | G | B | -1.7876 | |
| 67 | R | B | -1.5081 | |
| 68 | F | B | 0.0000 | |
| 69 | T | B | -0.8155 | |
| 70 | V | B | 0.0000 | |
| 71 | S | B | -0.5875 | |
| 72 | L | B | -0.8366 | |
| 73 | D | B | -1.9850 | |
| 74 | N | B | -2.4172 | |
| 75 | A | B | -1.8027 | |
| 76 | K | B | -2.4999 | |
| 77 | N | B | -2.0111 | |
| 78 | T | B | 0.0000 | |
| 79 | V | B | 0.0000 | |
| 80 | Y | B | 0.0000 | |
| 81 | L | B | 0.0000 | |
| 82 | Q | B | -1.1538 | |
| 83 | M | B | 0.0000 | |
| 84 | N | B | -1.3805 | |
| 85 | S | B | -1.1787 | |
| 86 | L | B | 0.0000 | |
| 87 | K | B | -2.2710 | |
| 88 | P | B | -2.0968 | |
| 89 | E | B | -2.3175 | |
| 90 | D | B | 0.0000 | |
| 91 | T | B | -0.8904 | |
| 92 | A | B | 0.0000 | |
| 93 | L | B | 0.0000 | |
| 94 | Y | B | 0.0000 | |
| 95 | Y | B | 0.0000 | |
| 96 | C | B | 0.0000 | |
| 97 | A | B | 0.0000 | |
| 98 | A | B | 0.0000 | |
| 99 | A | B | 0.0000 | |
| 100 | E | B | 0.4577 | |
| 101 | W | B | 0.8316 | |
| 102 | G | B | -0.3000 | |
| 103 | S | B | -0.5956 | |
| 104 | Q | B | -1.0764 | |
| 105 | S | B | -0.5124 | |
| 106 | P | B | 0.1137 | |
| 107 | L | B | 0.0558 | |
| 108 | T | B | -0.1537 | |
| 109 | Q | B | -0.4448 | |
| 110 | W | B | 0.6169 | |
| 111 | F | B | 0.0494 | |
| 112 | Y | B | 0.0000 | |
| 113 | R | B | -1.4006 | |
| 114 | Y | B | -0.8650 | |
| 115 | W | B | -0.3153 | |
| 116 | G | B | -0.1289 | |
| 117 | Q | B | -0.9365 | |
| 118 | G | B | -0.5230 | |
| 119 | T | B | -0.4257 | |
| 120 | Q | B | -0.5358 | |
| 121 | V | B | 0.0000 | |
| 122 | T | B | -0.5832 | |
| 123 | V | B | 0.0000 | |
| 124 | S | B | 0.0000 | |
| 125 | A | B | -1.2450 |
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