| Chain sequence(s) |
A: QVQLQESGPGLVKPSETLSLTCTVSGGSISAYSVNWIRQPPGKGLEWIGMIWGDGKIVYNSALKSRVTISVDTSKNQFSLKLSSVTAADTAVYYCARDGYYPYAMDNWGQGTTVTVSSASTKGPSVFPLAPCSRSTSESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRVESK
B: DIVLTQSPASLAVSPGERATISCRASKSVDSYGNSFMHWYQQKPGQPPKLLIYLASNLESGVPDRFSGSGSGTDFTLTISRVEAEDVAVYYCQQNNEDPRTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC 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 (00:03:54)
[INFO] Main: Simulation completed successfully. (00:03:57)
|
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 | |
| 1 | Q | A | -1.5496 | |
| 2 | V | A | -1.2678 | |
| 3 | Q | A | -2.0141 | |
| 4 | L | A | 0.0000 | |
| 5 | Q | A | -1.9391 | |
| 6 | E | A | -1.2627 | |
| 7 | S | A | -0.8616 | |
| 8 | G | A | -0.6277 | |
| 9 | P | A | -0.3676 | |
| 10 | G | A | -0.5185 | |
| 11 | L | A | -0.2890 | |
| 12 | V | A | 0.0000 | |
| 13 | K | A | -1.8941 | |
| 14 | P | A | -1.3622 | |
| 15 | S | A | -1.3582 | |
| 16 | E | A | -1.9923 | |
| 17 | T | A | -1.4633 | |
| 18 | L | A | 0.0000 | |
| 19 | S | A | -0.9714 | |
| 20 | L | A | 0.0000 | |
| 21 | T | A | -0.7196 | |
| 22 | C | A | 0.0000 | |
| 23 | T | A | -1.2811 | |
| 24 | V | A | 0.0000 | |
| 25 | S | A | -1.4191 | |
| 26 | G | A | -1.1970 | |
| 27 | G | A | -0.8501 | |
| 28 | S | A | -0.5265 | |
| 29 | I | A | 0.0000 | |
| 30 | S | A | -0.8875 | |
| 31 | A | A | -0.5365 | |
| 32 | Y | A | 0.0000 | |
| 33 | S | A | 0.0000 | |
| 34 | V | A | 0.0000 | |
| 35 | N | A | 0.0000 | |
| 36 | W | A | 0.0000 | |
| 37 | I | A | 0.0000 | |
| 38 | R | A | -0.6658 | |
| 39 | Q | A | -1.0019 | |
| 40 | P | A | -1.0264 | |
| 41 | P | A | -1.1328 | |
| 42 | G | A | -1.5040 | |
| 43 | K | A | -2.3115 | |
| 44 | G | A | -1.4662 | |
| 45 | L | A | 0.0000 | |
| 46 | E | A | -1.1069 | |
| 47 | W | A | 0.0000 | |
| 48 | I | A | 0.0000 | |
| 49 | G | A | 0.0000 | |
| 50 | M | A | 0.0000 | |
| 51 | I | A | 0.0000 | |
| 52 | W | A | -0.7476 | |
| 53 | G | A | -1.1379 | |
| 54 | D | A | -2.2317 | |
| 55 | G | A | -1.5321 | |
| 56 | K | A | -1.3920 | |
| 57 | I | A | 0.3190 | |
| 58 | V | A | 0.0000 | |
| 59 | Y | A | 0.0000 | |
| 60 | N | A | -1.2311 | |
| 61 | S | A | -1.1027 | |
| 62 | A | A | -0.4190 | |
| 63 | L | A | -0.6543 | |
| 64 | K | A | -1.3318 | |
| 65 | S | A | -0.9647 | |
| 66 | R | A | -1.1745 | |
| 67 | V | A | 0.0000 | |
| 68 | T | A | -0.7202 | |
| 69 | I | A | 0.0000 | |
| 70 | S | A | -0.2318 | |
| 71 | V | A | -0.4649 | |
| 72 | D | A | -1.5244 | |
| 73 | T | A | -1.3030 | |
| 74 | S | A | -1.4554 | |
| 75 | K | A | -2.2901 | |
| 76 | N | A | -1.6884 | |
| 77 | Q | A | -1.4590 | |
| 78 | F | A | 0.0000 | |
| 79 | S | A | -0.6465 | |
| 80 | L | A | 0.0000 | |
| 81 | K | A | -1.5586 | |
| 82 | L | A | 0.0000 | |
| 83 | S | A | -1.1198 | |
| 84 | S | A | -0.9998 | |
| 85 | V | A | 0.0000 | |
| 86 | T | A | -0.5380 | |
| 87 | A | A | -0.1833 | |
| 88 | A | A | 0.0596 | |
| 89 | D | A | 0.0000 | |
| 90 | T | A | 0.0023 | |
| 91 | A | A | 0.0000 | |
| 92 | V | A | -0.0703 | |
| 93 | Y | A | 0.0000 | |
| 94 | Y | A | 0.0000 | |
| 95 | C | A | 0.0000 | |
| 96 | A | A | 0.0000 | |
| 97 | R | A | -0.6959 | |
| 98 | D | A | 0.0000 | |
| 99 | G | A | 0.4362 | |
| 100 | Y | A | 1.8384 | |
| 101 | Y | A | 2.1766 | |
| 102 | P | A | 0.0000 | |
| 103 | Y | A | 1.2207 | |
| 104 | A | A | 0.0000 | |
| 105 | M | A | 0.0000 | |
| 106 | D | A | -1.6267 | |
| 107 | N | A | -1.4071 | |
| 108 | W | A | -1.4356 | |
| 109 | G | A | 0.0000 | |
| 110 | Q | A | -1.9445 | |
| 111 | G | A | -1.1727 | |
| 112 | T | A | -0.6608 | |
| 113 | T | A | -0.2952 | |
| 114 | V | A | 0.0000 | |
| 115 | T | A | 0.0000 | |
| 116 | V | A | 0.0000 | |
| 117 | S | A | -0.7315 | |
| 118 | S | A | -0.7181 | |
| 119 | A | A | -0.5247 | |
| 120 | S | A | -0.6574 | |
| 121 | T | A | -0.8572 | |
| 122 | K | A | -1.4775 | |
| 123 | G | A | -1.5312 | |
| 124 | P | A | -0.6730 | |
| 125 | S | A | -0.3706 | |
| 126 | V | A | -0.3318 | |
| 127 | F | A | 0.0000 | |
| 128 | P | A | -1.0872 | |
| 129 | L | A | 0.0000 | |
| 130 | A | A | 0.0000 | |
| 131 | P | A | -0.7820 | |
| 132 | C | A | -1.0658 | |
| 133 | S | A | -1.1437 | |
| 134 | R | A | -1.5201 | |
| 135 | S | A | -1.2477 | |
| 136 | T | A | -0.9313 | |
| 137 | S | A | -1.1302 | |
| 138 | E | A | -1.8160 | |
| 139 | S | A | -1.1633 | |
| 140 | T | A | -0.8676 | |
| 141 | A | A | 0.0000 | |
| 142 | A | A | 0.0000 | |
| 143 | L | A | 0.0000 | |
| 144 | G | A | 0.0000 | |
| 145 | C | A | 0.0000 | |
| 146 | L | A | 0.0000 | |
| 147 | V | A | 0.0000 | |
| 148 | K | A | 0.0000 | |
| 149 | D | A | -0.5867 | |
| 150 | Y | A | 0.0000 | |
| 151 | F | A | 0.0000 | |
| 152 | P | A | 0.0000 | |
| 153 | E | A | -0.4981 | |
| 154 | P | A | -0.6494 | |
| 155 | V | A | -0.6317 | |
| 156 | T | A | -0.5644 | |
| 157 | V | A | -0.3239 | |
| 158 | S | A | -0.4760 | |
| 159 | W | A | 0.0000 | |
| 160 | N | A | -1.0177 | |
| 161 | S | A | -0.7937 | |
| 162 | G | A | -0.6147 | |
| 163 | A | A | -0.2689 | |
| 164 | L | A | -0.0577 | |
| 165 | T | A | -0.1949 | |
| 166 | S | A | -0.2380 | |
| 167 | G | A | -0.2990 | |
| 168 | V | A | 0.1527 | |
| 169 | H | A | -0.2889 | |
| 170 | T | A | -0.0136 | |
| 171 | F | A | 0.0000 | |
| 172 | P | A | -0.3705 | |
| 173 | A | A | 0.2076 | |
| 174 | V | A | 0.5225 | |
| 175 | L | A | 1.1290 | |
| 176 | Q | A | 0.2632 | |
| 177 | S | A | -0.0718 | |
| 178 | S | A | -0.2458 | |
| 179 | G | A | 0.0043 | |
| 180 | L | A | 0.0230 | |
| 181 | Y | A | 0.3681 | |
| 182 | S | A | 0.2468 | |
| 183 | L | A | 0.0000 | |
| 184 | S | A | 0.0000 | |
| 185 | S | A | 0.0000 | |
| 186 | V | A | 0.0000 | |
| 187 | V | A | 0.0000 | |
| 188 | T | A | -0.1306 | |
| 189 | V | A | 0.0000 | |
| 190 | P | A | -0.5408 | |
| 191 | S | A | -0.7538 | |
| 192 | S | A | -0.5284 | |
| 193 | S | A | -0.6641 | |
| 194 | L | A | -0.7503 | |
| 195 | G | A | -1.1427 | |
| 196 | T | A | -0.9556 | |
| 197 | K | A | -1.5832 | |
| 198 | T | A | -1.5977 | |
| 199 | Y | A | 0.0000 | |
| 200 | T | A | 0.0000 | |
| 201 | C | A | 0.0000 | |
| 202 | N | A | -1.5744 | |
| 203 | V | A | 0.0000 | |
| 204 | D | A | -1.8028 | |
| 205 | H | A | 0.0000 | |
| 206 | K | A | -2.5801 | |
| 207 | P | A | -1.5633 | |
| 208 | S | A | -1.8844 | |
| 209 | N | A | -2.3669 | |
| 210 | T | A | -2.0247 | |
| 211 | K | A | -2.5607 | |
| 212 | V | A | -1.6107 | |
| 213 | D | A | -2.6139 | |
| 214 | K | A | -2.4441 | |
| 215 | R | A | -2.9037 | |
| 216 | V | A | 0.0000 | |
| 217 | E | A | -2.8279 | |
| 218 | S | A | -1.9972 | |
| 219 | K | A | -2.6390 | |
| 220 | D | B | -2.3829 | |
| 221 | I | B | 0.0000 | |
| 222 | V | B | 0.5969 | |
| 223 | L | B | 0.0000 | |
| 224 | T | B | -0.6215 | |
| 225 | Q | B | 0.0000 | |
| 226 | S | B | -0.8471 | |
| 227 | P | B | -0.5260 | |
| 228 | A | B | -0.5888 | |
| 229 | S | B | -0.8158 | |
| 230 | L | B | -0.5640 | |
| 231 | A | B | -0.7709 | |
| 232 | V | B | 0.0000 | |
| 233 | S | B | -1.9020 | |
| 234 | P | B | -2.0099 | |
| 235 | G | B | -2.2192 | |
| 236 | E | B | -3.0251 | |
| 237 | R | B | -3.3171 | |
| 238 | A | B | 0.0000 | |
| 239 | T | B | -0.5732 | |
| 240 | I | B | 0.0000 | |
| 241 | S | B | -1.0359 | |
| 242 | C | B | 0.0000 | |
| 243 | R | B | -2.7331 | |
| 244 | A | B | 0.0000 | |
| 245 | S | B | -1.2871 | |
| 246 | K | B | -2.5554 | |
| 247 | S | B | -1.9817 | |
| 248 | V | B | 0.0000 | |
| 249 | D | B | -1.2305 | |
| 250 | S | B | -0.3692 | |
| 251 | Y | B | 0.6583 | |
| 252 | G | B | -0.4502 | |
| 253 | N | B | -0.9043 | |
| 254 | S | B | 0.0000 | |
| 255 | F | B | -0.5326 | |
| 256 | M | B | 0.0000 | |
| 257 | H | B | 0.0000 | |
| 258 | W | B | 0.0000 | |
| 259 | Y | B | 0.0000 | |
| 260 | Q | B | 0.0000 | |
| 261 | Q | B | 0.0000 | |
| 262 | K | B | -1.5292 | |
| 263 | P | B | -1.3031 | |
| 264 | G | B | -1.5687 | |
| 265 | Q | B | -1.9861 | |
| 266 | P | B | -1.4323 | |
| 267 | P | B | 0.0000 | |
| 268 | K | B | -1.6806 | |
| 269 | L | B | 0.0000 | |
| 270 | L | B | 0.0000 | |
| 271 | I | B | 0.0000 | |
| 272 | Y | B | 0.1002 | |
| 273 | L | B | 0.0753 | |
| 274 | A | B | 0.0000 | |
| 275 | S | B | -0.5978 | |
| 276 | N | B | -0.8336 | |
| 277 | L | B | -0.4682 | |
| 278 | E | B | -0.9874 | |
| 279 | S | B | -0.5420 | |
| 280 | G | B | -0.7169 | |
| 281 | V | B | -0.7025 | |
| 282 | P | B | -1.1098 | |
| 283 | D | B | -1.9559 | |
| 284 | R | B | -1.9572 | |
| 285 | F | B | 0.0000 | |
| 286 | S | B | -0.7589 | |
| 287 | G | B | -0.4216 | |
| 288 | S | B | -0.8495 | |
| 289 | G | B | -1.2581 | |
| 290 | S | B | -1.4569 | |
| 291 | G | B | -1.7123 | |
| 292 | T | B | -2.2406 | |
| 293 | D | B | -2.9952 | |
| 294 | F | B | 0.0000 | |
| 295 | T | B | -0.9681 | |
| 296 | L | B | 0.0000 | |
| 297 | T | B | -0.8305 | |
| 298 | I | B | 0.0000 | |
| 299 | S | B | -2.4557 | |
| 300 | R | B | -3.3391 | |
| 301 | V | B | 0.0000 | |
| 302 | E | B | -2.5988 | |
| 303 | A | B | -2.5913 | |
| 304 | E | B | -2.7638 | |
| 305 | D | B | 0.0000 | |
| 306 | V | B | 0.0000 | |
| 307 | A | B | 0.0000 | |
| 308 | V | B | -0.7100 | |
| 309 | Y | B | 0.0000 | |
| 310 | Y | B | 0.0000 | |
| 311 | C | B | 0.0000 | |
| 312 | Q | B | 0.0000 | |
| 313 | Q | B | 0.0000 | |
| 314 | N | B | -1.3200 | |
| 315 | N | B | -2.0983 | |
| 316 | E | B | -3.5211 | |
| 317 | D | B | -3.2484 | |
| 318 | P | B | -2.2732 | |
| 319 | R | B | 0.0000 | |
| 320 | T | B | -0.7569 | |
| 321 | F | B | 0.0000 | |
| 322 | G | B | 0.0000 | |
| 323 | G | B | -0.8562 | |
| 324 | G | B | -0.9457 | |
| 325 | T | B | 0.0000 | |
| 326 | K | B | -1.7764 | |
| 327 | V | B | 0.0000 | |
| 328 | E | B | -1.6507 | |
| 329 | I | B | 0.0000 | |
| 330 | K | B | -1.5055 | |
| 331 | R | B | -1.5312 | |
| 332 | T | B | -0.2963 | |
| 333 | V | B | 0.1744 | |
| 334 | A | B | -0.1575 | |
| 335 | A | B | -0.1453 | |
| 336 | P | B | 0.0000 | |
| 337 | S | B | -0.0395 | |
| 338 | V | B | 0.0590 | |
| 339 | F | B | -0.0283 | |
| 340 | I | B | 0.0000 | |
| 341 | F | B | 0.0000 | |
| 342 | P | B | -0.6760 | |
| 343 | P | B | -0.7398 | |
| 344 | S | B | -1.7077 | |
| 345 | D | B | -2.9409 | |
| 346 | E | B | -2.5773 | |
| 347 | Q | B | 0.0000 | |
| 348 | L | B | -2.1432 | |
| 349 | K | B | -2.6350 | |
| 350 | S | B | -1.6239 | |
| 351 | G | B | -1.1046 | |
| 352 | T | B | -0.8703 | |
| 353 | A | B | 0.0000 | |
| 354 | S | B | 0.0000 | |
| 355 | V | B | 0.0000 | |
| 356 | V | B | 0.0000 | |
| 357 | C | B | 0.0000 | |
| 358 | L | B | 0.0000 | |
| 359 | L | B | 0.0000 | |
| 360 | N | B | 0.0000 | |
| 361 | N | B | -0.9956 | |
| 362 | F | B | 0.0000 | |
| 363 | Y | B | 0.0000 | |
| 364 | P | B | -1.8313 | |
| 365 | R | B | -3.1406 | |
| 366 | E | B | -3.2657 | |
| 367 | A | B | -2.3692 | |
| 368 | K | B | -2.4133 | |
| 369 | V | B | -1.0485 | |
| 370 | Q | B | -0.5769 | |
| 371 | W | B | 0.0000 | |
| 372 | K | B | -0.4816 | |
| 373 | V | B | 0.0000 | |
| 374 | D | B | -1.9698 | |
| 375 | N | B | -1.5734 | |
| 376 | A | B | -0.2937 | |
| 377 | L | B | 0.7403 | |
| 378 | Q | B | -0.2601 | |
| 379 | S | B | -0.7037 | |
| 380 | G | B | -1.2634 | |
| 381 | N | B | -1.5653 | |
| 382 | S | B | -1.4613 | |
| 383 | Q | B | -1.4289 | |
| 384 | E | B | -1.8826 | |
| 385 | S | B | -1.0385 | |
| 386 | V | B | -0.9327 | |
| 387 | T | B | -1.1740 | |
| 388 | E | B | -2.2358 | |
| 389 | Q | B | 0.0000 | |
| 390 | D | B | -2.1340 | |
| 391 | S | B | -2.5179 | |
| 392 | K | B | -2.9174 | |
| 393 | D | B | -2.4761 | |
| 394 | S | B | 0.0000 | |
| 395 | T | B | 0.0000 | |
| 396 | Y | B | -1.4437 | |
| 397 | S | B | 0.0000 | |
| 398 | L | B | 0.0000 | |
| 399 | S | B | 0.0000 | |
| 400 | S | B | 0.0000 | |
| 401 | T | B | -0.7636 | |
| 402 | L | B | 0.0000 | |
| 403 | T | B | -0.5896 | |
| 404 | L | B | -0.7803 | |
| 405 | S | B | -0.9525 | |
| 406 | K | B | -1.9249 | |
| 407 | A | B | -1.8375 | |
| 408 | D | B | -2.4196 | |
| 409 | Y | B | 0.0000 | |
| 410 | E | B | -3.6283 | |
| 411 | K | B | -3.6284 | |
| 412 | H | B | -3.0500 | |
| 413 | K | B | -2.9058 | |
| 414 | V | B | -1.3139 | |
| 415 | Y | B | 0.0000 | |
| 416 | A | B | -0.5845 | |
| 417 | C | B | 0.0000 | |
| 418 | E | B | -0.7959 | |
| 419 | V | B | 0.0000 | |
| 420 | T | B | -1.1517 | |
| 421 | H | B | 0.0000 | |
| 422 | Q | B | -1.7814 | |
| 423 | G | B | -0.5114 | |
| 424 | L | B | -0.3118 | |
| 425 | S | B | -0.4990 | |
| 426 | S | B | -0.4093 | |
| 427 | P | B | -0.5218 | |
| 428 | V | B | 0.0759 | |
| 429 | T | B | -0.3863 | |
| 430 | K | B | -0.6806 | |
| 431 | S | B | -0.4782 | |
| 432 | F | B | 0.0000 | |
| 433 | N | B | -1.3855 | |
| 434 | R | B | -2.3605 | |
| 435 | G | B | -1.8325 | |
| 436 | E | B | -2.2722 | |
| 437 | C | B | -0.6979 |
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