| Chain sequence(s) |
A: QVQLQESGPGLVKPSETLSLTCTVSGGSISAYSVNWIRQPPGKGLEWIGMIRGDGKIVYNSALKSRVTISVDTSKNQFSLKLSSVTAADTAVYYCARDGYYPYAMDNWGQGTTVTVSSASTKGPSVFPLAPCSRSTSESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRVESK
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 (00:04:14)
[INFO] Main: Simulation completed successfully. (00:04:16)
|
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 | -1.5472 | |
| 2 | V | A | -1.2799 | |
| 3 | Q | A | -2.0399 | |
| 4 | L | A | 0.0000 | |
| 5 | Q | A | -1.9755 | |
| 6 | E | A | -1.2594 | |
| 7 | S | A | -0.8264 | |
| 8 | G | A | -0.5524 | |
| 9 | P | A | -0.3339 | |
| 10 | G | A | -0.5197 | |
| 11 | L | A | -0.3104 | |
| 12 | V | A | 0.0000 | |
| 13 | K | A | -1.9192 | |
| 14 | P | A | -1.3844 | |
| 15 | S | A | -1.3891 | |
| 16 | E | A | -2.0147 | |
| 17 | T | A | -1.4786 | |
| 18 | L | A | 0.0000 | |
| 19 | S | A | -0.9528 | |
| 20 | L | A | 0.0000 | |
| 21 | T | A | -0.7192 | |
| 22 | C | A | 0.0000 | |
| 23 | T | A | -1.2974 | |
| 24 | V | A | 0.0000 | |
| 25 | S | A | -1.4246 | |
| 26 | G | A | -1.1943 | |
| 27 | G | A | -0.8615 | |
| 28 | S | A | -0.5291 | |
| 29 | I | A | 0.0000 | |
| 30 | S | A | -1.0164 | |
| 31 | A | A | -0.6796 | |
| 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 | -0.6748 | |
| 39 | Q | A | -1.0037 | |
| 40 | P | A | -1.0320 | |
| 41 | P | A | -1.1354 | |
| 42 | G | A | -1.5136 | |
| 43 | K | A | -2.3142 | |
| 44 | G | A | -1.4667 | |
| 45 | L | A | 0.0000 | |
| 46 | E | A | -1.1154 | |
| 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 | R | A | -1.4550 | |
| 53 | G | A | -1.4999 | |
| 54 | D | A | -2.4313 | |
| 55 | G | A | -1.6549 | |
| 56 | K | A | -1.3323 | |
| 57 | I | A | 0.4235 | |
| 58 | V | A | 0.0719 | |
| 59 | Y | A | 0.0000 | |
| 60 | N | A | -1.0300 | |
| 61 | S | A | -0.9537 | |
| 62 | A | A | -0.3946 | |
| 63 | L | A | -0.5981 | |
| 64 | K | A | -1.3109 | |
| 65 | S | A | -0.9535 | |
| 66 | R | A | -1.1522 | |
| 67 | V | A | 0.0000 | |
| 68 | T | A | -0.6873 | |
| 69 | I | A | 0.0000 | |
| 70 | S | A | -0.2105 | |
| 71 | V | A | -0.5171 | |
| 72 | D | A | -1.4114 | |
| 73 | T | A | -1.2485 | |
| 74 | S | A | -1.4182 | |
| 75 | K | A | -2.2539 | |
| 76 | N | A | -1.6540 | |
| 77 | Q | A | -1.4424 | |
| 78 | F | A | 0.0000 | |
| 79 | S | A | -0.6315 | |
| 80 | L | A | 0.0000 | |
| 81 | K | A | -1.5607 | |
| 82 | L | A | 0.0000 | |
| 83 | S | A | -1.1332 | |
| 84 | S | A | -1.0545 | |
| 85 | V | A | 0.0000 | |
| 86 | T | A | -0.5547 | |
| 87 | A | A | -0.1850 | |
| 88 | A | A | 0.0596 | |
| 89 | D | A | 0.0000 | |
| 90 | T | A | -0.0039 | |
| 91 | A | A | 0.0000 | |
| 92 | V | A | -0.0513 | |
| 93 | Y | A | 0.0000 | |
| 94 | Y | A | 0.0000 | |
| 95 | C | A | 0.0000 | |
| 96 | A | A | 0.0000 | |
| 97 | R | A | -0.9531 | |
| 98 | D | A | 0.0000 | |
| 99 | G | A | 0.2858 | |
| 100 | Y | A | 1.6718 | |
| 101 | Y | A | 1.9151 | |
| 102 | P | A | 0.0000 | |
| 103 | Y | A | 0.9806 | |
| 104 | A | A | 0.0000 | |
| 105 | M | A | 0.0000 | |
| 106 | D | A | -1.7531 | |
| 107 | N | A | -1.4947 | |
| 108 | W | A | -1.4858 | |
| 109 | G | A | 0.0000 | |
| 110 | Q | A | -1.9153 | |
| 111 | G | A | 0.0000 | |
| 112 | T | A | -0.6098 | |
| 113 | T | A | -0.2794 | |
| 114 | V | A | 0.0000 | |
| 115 | T | A | 0.0000 | |
| 116 | V | A | 0.0000 | |
| 117 | S | A | -0.7401 | |
| 118 | S | A | -0.7251 | |
| 119 | A | A | -0.4834 | |
| 120 | S | A | -0.5885 | |
| 121 | T | A | -0.7046 | |
| 122 | K | A | -1.1155 | |
| 123 | G | A | -1.2824 | |
| 124 | P | A | -0.4929 | |
| 125 | S | A | -0.2499 | |
| 126 | V | A | -0.2895 | |
| 127 | F | A | 0.0000 | |
| 128 | P | A | -1.0757 | |
| 129 | L | A | 0.0000 | |
| 130 | A | A | 0.0000 | |
| 131 | P | A | -0.7914 | |
| 132 | C | A | -1.0639 | |
| 133 | S | A | -1.0915 | |
| 134 | R | A | -1.3267 | |
| 135 | S | A | -1.0275 | |
| 136 | T | A | -0.7449 | |
| 137 | S | A | -0.8441 | |
| 138 | E | A | -1.2325 | |
| 139 | S | A | -0.8765 | |
| 140 | T | A | -0.6816 | |
| 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 | -0.3111 | |
| 150 | Y | A | 0.0000 | |
| 151 | F | A | 0.0000 | |
| 152 | P | A | 0.0000 | |
| 153 | E | A | -0.5290 | |
| 154 | P | A | -0.6867 | |
| 155 | V | A | -0.6396 | |
| 156 | T | A | -0.5780 | |
| 157 | V | A | -0.3412 | |
| 158 | S | A | -0.4864 | |
| 159 | W | A | 0.0000 | |
| 160 | N | A | -1.0047 | |
| 161 | S | A | -0.7943 | |
| 162 | G | A | -0.6052 | |
| 163 | A | A | -0.2412 | |
| 164 | L | A | 0.0040 | |
| 165 | T | A | -0.1541 | |
| 166 | S | A | -0.1917 | |
| 167 | G | A | -0.2383 | |
| 168 | V | A | 0.1951 | |
| 169 | H | A | -0.2460 | |
| 170 | T | A | -0.0031 | |
| 171 | F | A | 0.0000 | |
| 172 | P | A | -0.3228 | |
| 173 | A | A | 0.1902 | |
| 174 | V | A | 0.5093 | |
| 175 | L | A | 1.1259 | |
| 176 | Q | A | 0.2955 | |
| 177 | S | A | -0.0700 | |
| 178 | S | A | -0.2061 | |
| 179 | G | A | 0.0488 | |
| 180 | L | A | 0.1803 | |
| 181 | Y | A | 0.4471 | |
| 182 | S | A | 0.2978 | |
| 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 | -0.1102 | |
| 189 | V | A | 0.0000 | |
| 190 | P | A | -0.4669 | |
| 191 | S | A | -0.6284 | |
| 192 | S | A | -0.5473 | |
| 193 | S | A | -0.7094 | |
| 194 | L | A | -0.7943 | |
| 195 | G | A | -1.1832 | |
| 196 | T | A | -1.0174 | |
| 197 | K | A | -1.7039 | |
| 198 | T | A | -1.6558 | |
| 199 | Y | A | 0.0000 | |
| 200 | T | A | 0.0000 | |
| 201 | C | A | 0.0000 | |
| 202 | N | A | -1.6340 | |
| 203 | V | A | 0.0000 | |
| 204 | D | A | -1.8000 | |
| 205 | H | A | 0.0000 | |
| 206 | K | A | -2.5767 | |
| 207 | P | A | -1.5181 | |
| 208 | S | A | -1.7908 | |
| 209 | N | A | -2.3210 | |
| 210 | T | A | -1.9692 | |
| 211 | K | A | -2.5634 | |
| 212 | V | A | -1.6284 | |
| 213 | D | A | -2.6416 | |
| 214 | K | A | -2.4681 | |
| 215 | R | A | -2.9156 | |
| 216 | V | A | 0.0000 | |
| 217 | E | A | -2.8270 | |
| 218 | S | A | -1.9772 | |
| 219 | K | A | -2.6342 | |
| 220 | D | B | -2.1960 | |
| 221 | I | B | 0.0000 | |
| 222 | V | B | 0.5859 | |
| 223 | L | B | 0.0000 | |
| 224 | T | B | -0.6315 | |
| 225 | Q | B | 0.0000 | |
| 226 | S | B | -0.8493 | |
| 227 | P | B | -0.5338 | |
| 228 | A | B | -0.5918 | |
| 229 | S | B | -0.8274 | |
| 230 | L | B | -0.6419 | |
| 231 | A | B | -0.8959 | |
| 232 | V | B | 0.0000 | |
| 233 | S | B | -2.0213 | |
| 234 | P | B | -2.0931 | |
| 235 | G | B | -2.2700 | |
| 236 | E | B | -3.0656 | |
| 237 | R | B | -3.3338 | |
| 238 | A | B | 0.0000 | |
| 239 | T | B | -0.5718 | |
| 240 | I | B | 0.0000 | |
| 241 | S | B | -1.0382 | |
| 242 | C | B | 0.0000 | |
| 243 | R | B | -2.7415 | |
| 244 | A | B | 0.0000 | |
| 245 | S | B | -1.3160 | |
| 246 | K | B | -2.5717 | |
| 247 | S | B | -2.0153 | |
| 248 | V | B | 0.0000 | |
| 249 | D | B | -1.2655 | |
| 250 | S | B | -0.3967 | |
| 251 | Y | B | 0.6760 | |
| 252 | G | B | -0.4393 | |
| 253 | N | B | -0.8904 | |
| 254 | S | B | 0.0000 | |
| 255 | F | B | 0.0000 | |
| 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 | -1.5274 | |
| 263 | P | B | -1.2992 | |
| 264 | G | B | -1.5592 | |
| 265 | Q | B | -2.0102 | |
| 266 | P | B | -1.4437 | |
| 267 | P | B | 0.0000 | |
| 268 | K | B | -1.7018 | |
| 269 | L | B | 0.0000 | |
| 270 | L | B | 0.0000 | |
| 271 | I | B | 0.0000 | |
| 272 | Y | B | 0.0101 | |
| 273 | L | B | -0.0299 | |
| 274 | A | B | 0.0000 | |
| 275 | S | B | -0.6295 | |
| 276 | N | B | -0.8493 | |
| 277 | L | B | -0.4576 | |
| 278 | E | B | -0.9544 | |
| 279 | S | B | -0.5176 | |
| 280 | G | B | -0.7002 | |
| 281 | V | B | -0.6822 | |
| 282 | P | B | -1.0991 | |
| 283 | D | B | -1.9474 | |
| 284 | R | B | -1.9551 | |
| 285 | F | B | 0.0000 | |
| 286 | S | B | -0.7595 | |
| 287 | G | B | -0.4300 | |
| 288 | S | B | -0.8574 | |
| 289 | G | B | -1.2673 | |
| 290 | S | B | -1.4730 | |
| 291 | G | B | -1.7315 | |
| 292 | T | B | -2.2477 | |
| 293 | D | B | -3.0019 | |
| 294 | F | B | 0.0000 | |
| 295 | T | B | -0.9707 | |
| 296 | L | B | 0.0000 | |
| 297 | T | B | -0.8263 | |
| 298 | I | B | 0.0000 | |
| 299 | S | B | -2.4531 | |
| 300 | R | B | -3.3629 | |
| 301 | V | B | 0.0000 | |
| 302 | E | B | -2.6500 | |
| 303 | A | B | -2.5199 | |
| 304 | E | B | -2.7177 | |
| 305 | D | B | 0.0000 | |
| 306 | V | B | 0.0000 | |
| 307 | A | B | 0.0000 | |
| 308 | V | B | -0.7089 | |
| 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 | -1.1433 | |
| 315 | N | B | -1.9629 | |
| 316 | E | B | -3.0963 | |
| 317 | D | B | -2.2832 | |
| 318 | P | B | -1.6401 | |
| 319 | R | B | 0.0000 | |
| 320 | T | B | -0.5963 | |
| 321 | F | B | 0.0000 | |
| 322 | G | B | 0.0000 | |
| 323 | G | B | -0.8550 | |
| 324 | G | B | -0.9414 | |
| 325 | T | B | 0.0000 | |
| 326 | K | B | -1.7861 | |
| 327 | V | B | 0.0000 | |
| 328 | E | B | -1.7223 | |
| 329 | I | B | 0.0000 | |
| 330 | K | B | -1.8447 | |
| 331 | R | B | -1.3262 | |
| 332 | T | B | -0.3289 | |
| 333 | V | B | -0.0911 | |
| 334 | A | B | -0.2857 | |
| 335 | A | B | -0.2561 | |
| 336 | P | B | 0.0000 | |
| 337 | S | B | -0.2128 | |
| 338 | V | B | 0.0000 | |
| 339 | F | B | 0.0000 | |
| 340 | I | B | 0.0000 | |
| 341 | F | B | 0.0000 | |
| 342 | P | B | -0.6842 | |
| 343 | P | B | -0.7378 | |
| 344 | S | B | -1.6775 | |
| 345 | D | B | -2.8985 | |
| 346 | E | B | -2.4854 | |
| 347 | Q | B | 0.0000 | |
| 348 | L | B | -2.0869 | |
| 349 | K | B | -2.6083 | |
| 350 | S | B | -1.6053 | |
| 351 | G | B | -1.0929 | |
| 352 | T | B | -0.8573 | |
| 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 | -1.0643 | |
| 362 | F | B | 0.0000 | |
| 363 | Y | B | 0.0000 | |
| 364 | P | B | -1.9589 | |
| 365 | R | B | -3.1187 | |
| 366 | E | B | -3.1804 | |
| 367 | A | B | -2.1584 | |
| 368 | K | B | -1.9558 | |
| 369 | V | B | -0.8617 | |
| 370 | Q | B | -0.4142 | |
| 371 | W | B | 0.0000 | |
| 372 | K | B | -0.5242 | |
| 373 | V | B | 0.0000 | |
| 374 | D | B | -2.0087 | |
| 375 | N | B | -1.6079 | |
| 376 | A | B | -0.3151 | |
| 377 | L | B | 0.7313 | |
| 378 | Q | B | -0.2540 | |
| 379 | S | B | -0.6907 | |
| 380 | G | B | -1.2522 | |
| 381 | N | B | -1.5492 | |
| 382 | S | B | -1.4353 | |
| 383 | Q | B | -1.4063 | |
| 384 | E | B | -1.8727 | |
| 385 | S | B | -0.9647 | |
| 386 | V | B | -0.8024 | |
| 387 | T | B | -0.9885 | |
| 388 | E | B | -1.8361 | |
| 389 | Q | B | 0.0000 | |
| 390 | D | B | -1.9143 | |
| 391 | S | B | -2.3386 | |
| 392 | K | B | -2.6531 | |
| 393 | D | B | -1.8893 | |
| 394 | S | B | 0.0000 | |
| 395 | T | B | 0.0000 | |
| 396 | Y | B | 0.0000 | |
| 397 | S | B | 0.0000 | |
| 398 | L | B | 0.0000 | |
| 399 | S | B | 0.0000 | |
| 400 | S | B | 0.0000 | |
| 401 | T | B | -0.7516 | |
| 402 | L | B | 0.0000 | |
| 403 | T | B | -0.5791 | |
| 404 | L | B | -0.7377 | |
| 405 | S | B | -0.9009 | |
| 406 | K | B | -1.8324 | |
| 407 | A | B | -1.7264 | |
| 408 | D | B | -2.2995 | |
| 409 | Y | B | 0.0000 | |
| 410 | E | B | -3.3690 | |
| 411 | K | B | -3.5123 | |
| 412 | H | B | -3.0248 | |
| 413 | K | B | -2.9955 | |
| 414 | V | B | -1.3923 | |
| 415 | Y | B | 0.0000 | |
| 416 | A | B | -0.5700 | |
| 417 | C | B | 0.0000 | |
| 418 | E | B | -0.6541 | |
| 419 | V | B | 0.0000 | |
| 420 | T | B | -0.9856 | |
| 421 | H | B | 0.0000 | |
| 422 | Q | B | -1.7873 | |
| 423 | G | B | -0.5896 | |
| 424 | L | B | -0.3213 | |
| 425 | S | B | -0.4922 | |
| 426 | S | B | -0.4291 | |
| 427 | P | B | -0.5071 | |
| 428 | V | B | 0.0197 | |
| 429 | T | B | -0.4440 | |
| 430 | K | B | -0.7793 | |
| 431 | S | B | -0.5166 | |
| 432 | F | B | 0.0000 | |
| 433 | N | B | -1.4282 | |
| 434 | R | B | -2.4327 | |
| 435 | G | B | -1.8739 | |
| 436 | E | B | -2.3116 | |
| 437 | C | B | -0.7240 |
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