| Chain sequence(s) |
A: QVTLRESGPALVKPTQTLTLTCTVSGFSLSAYSVNWIRQPPGKALEWLAMIWGDGKIVYNSALKSRLTISKDTSKNQVVLTMTNMDPVDTATYYCAGDGYYPYAMDNWGQGSLVTVSSASTKGPSVFPLAPCSRSTSESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRVESK
B: DIVMTQSPDSLSVSLGERATINCRASKSVDSYGNSFMHWYQQKPGQPPKLLIYLASNLESGVPDRFSGSGSGTDFTLTISSLQAEDVAVYYCQQNNEDPRTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC 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] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:01)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:03:46)
[INFO] Main: Simulation completed successfully. (00:03:49)
|
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 | -1.2057 | |
| 2 | V | A | -0.5795 | |
| 3 | T | A | -0.9538 | |
| 4 | L | A | 0.0000 | |
| 5 | R | A | -2.3518 | |
| 6 | E | A | -1.4585 | |
| 7 | S | A | -0.8239 | |
| 8 | G | A | -0.3053 | |
| 9 | P | A | -0.1675 | |
| 10 | A | A | -0.3060 | |
| 11 | L | A | -0.2236 | |
| 12 | V | A | 0.0000 | |
| 13 | K | A | -2.2276 | |
| 14 | P | A | -1.8465 | |
| 15 | T | A | -1.8228 | |
| 16 | Q | A | -1.9533 | |
| 17 | T | A | -1.2728 | |
| 18 | L | A | 0.0000 | |
| 19 | T | A | -0.1618 | |
| 20 | L | A | 0.0000 | |
| 21 | T | A | -0.4674 | |
| 22 | C | A | 0.0000 | |
| 23 | T | A | -1.3176 | |
| 24 | V | A | 0.0000 | |
| 25 | S | A | -0.9912 | |
| 26 | G | A | -0.6853 | |
| 27 | F | A | -0.0675 | |
| 28 | S | A | -0.2130 | |
| 29 | L | A | 0.0000 | |
| 30 | S | A | -0.8757 | |
| 31 | A | A | -0.3946 | |
| 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 | 0.0000 | |
| 39 | Q | A | -0.9112 | |
| 40 | P | A | -0.7120 | |
| 41 | P | A | -1.0745 | |
| 42 | G | A | -1.4862 | |
| 43 | K | A | -2.2108 | |
| 44 | A | A | -1.2750 | |
| 45 | L | A | 0.0000 | |
| 46 | E | A | -0.8664 | |
| 47 | W | A | 0.0000 | |
| 48 | L | A | 0.0000 | |
| 49 | A | A | 0.0000 | |
| 50 | M | A | 0.0000 | |
| 51 | I | A | 0.0000 | |
| 52 | W | A | -0.9933 | |
| 53 | G | A | -1.2856 | |
| 54 | D | A | -2.2932 | |
| 55 | G | A | -1.8172 | |
| 56 | K | A | -1.8793 | |
| 57 | I | A | -0.3165 | |
| 58 | V | A | 0.0000 | |
| 59 | Y | A | -0.4496 | |
| 60 | N | A | -1.0557 | |
| 61 | S | A | -1.0437 | |
| 62 | A | A | -0.3677 | |
| 63 | L | A | -0.5680 | |
| 64 | K | A | -1.2187 | |
| 65 | S | A | -0.8579 | |
| 66 | R | A | -1.0011 | |
| 67 | L | A | 0.0000 | |
| 68 | T | A | -0.1803 | |
| 69 | I | A | 0.0000 | |
| 70 | S | A | -0.4143 | |
| 71 | K | A | -1.3089 | |
| 72 | D | A | -1.9759 | |
| 73 | T | A | -1.5615 | |
| 74 | S | A | -1.5871 | |
| 75 | K | A | -2.4098 | |
| 76 | N | A | -1.7380 | |
| 77 | Q | A | -1.5914 | |
| 78 | V | A | 0.0000 | |
| 79 | V | A | 0.0076 | |
| 80 | L | A | 0.0000 | |
| 81 | T | A | -0.0432 | |
| 82 | M | A | 0.0000 | |
| 83 | T | A | -1.1830 | |
| 84 | N | A | -2.1321 | |
| 85 | M | A | 0.0000 | |
| 86 | D | A | -1.3120 | |
| 87 | P | A | -0.1425 | |
| 88 | V | A | 1.2841 | |
| 89 | D | A | 0.0000 | |
| 90 | T | A | 0.2667 | |
| 91 | A | A | 0.0000 | |
| 92 | T | A | -0.2115 | |
| 93 | Y | A | 0.0000 | |
| 94 | Y | A | 0.0000 | |
| 95 | C | A | 0.0000 | |
| 96 | A | A | 0.0000 | |
| 97 | G | A | 0.0000 | |
| 98 | D | A | 0.0000 | |
| 99 | G | A | 0.6691 | |
| 100 | Y | A | 1.9380 | |
| 101 | Y | A | 2.1621 | |
| 102 | P | A | 0.0000 | |
| 103 | Y | A | 1.2981 | |
| 104 | A | A | 0.0000 | |
| 105 | M | A | 0.0000 | |
| 106 | D | A | -0.9859 | |
| 107 | N | A | -0.8972 | |
| 108 | W | A | -1.1839 | |
| 109 | G | A | 0.0000 | |
| 110 | Q | A | -2.0034 | |
| 111 | G | A | -1.3195 | |
| 112 | S | A | -0.6806 | |
| 113 | L | A | -0.1407 | |
| 114 | V | A | 0.0000 | |
| 115 | T | A | 0.0000 | |
| 116 | V | A | 0.0000 | |
| 117 | S | A | -0.7377 | |
| 118 | S | A | -0.8156 | |
| 119 | A | A | -0.5388 | |
| 120 | S | A | -0.6432 | |
| 121 | T | A | -0.7401 | |
| 122 | K | A | -1.2147 | |
| 123 | G | A | -1.4129 | |
| 124 | P | A | -0.6380 | |
| 125 | S | A | -0.4261 | |
| 126 | V | A | 0.0000 | |
| 127 | F | A | 0.0000 | |
| 128 | P | A | -1.1645 | |
| 129 | L | A | 0.0000 | |
| 130 | A | A | -0.9250 | |
| 131 | P | A | 0.0000 | |
| 132 | C | A | -0.9478 | |
| 133 | S | A | -1.0559 | |
| 134 | R | A | -1.4092 | |
| 135 | S | A | -1.0953 | |
| 136 | T | A | -0.7862 | |
| 137 | S | A | -0.8772 | |
| 138 | E | A | -1.3007 | |
| 139 | S | A | -0.9096 | |
| 140 | T | A | -0.7123 | |
| 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 | -0.4005 | |
| 150 | Y | A | 0.0000 | |
| 151 | F | A | 0.0000 | |
| 152 | P | A | 0.0000 | |
| 153 | E | A | -0.3695 | |
| 154 | P | A | -0.6860 | |
| 155 | V | A | 0.0000 | |
| 156 | T | A | -0.7468 | |
| 157 | V | A | -0.4635 | |
| 158 | S | A | -0.5652 | |
| 159 | W | A | 0.0000 | |
| 160 | N | A | -1.1062 | |
| 161 | S | A | -0.8450 | |
| 162 | G | A | -0.6252 | |
| 163 | A | A | -0.2895 | |
| 164 | L | A | -0.0919 | |
| 165 | T | A | -0.2106 | |
| 166 | S | A | -0.2008 | |
| 167 | G | A | -0.3219 | |
| 168 | V | A | 0.1074 | |
| 169 | H | A | -0.3662 | |
| 170 | T | A | -0.0333 | |
| 171 | F | A | 0.0000 | |
| 172 | P | A | -0.3803 | |
| 173 | A | A | 0.1738 | |
| 174 | V | A | 0.5284 | |
| 175 | L | A | 1.1698 | |
| 176 | Q | A | 0.3030 | |
| 177 | S | A | -0.0735 | |
| 178 | S | A | -0.2215 | |
| 179 | G | A | 0.0289 | |
| 180 | L | A | 0.1368 | |
| 181 | Y | A | 0.4434 | |
| 182 | S | A | 0.0000 | |
| 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 | -0.1361 | |
| 189 | V | A | 0.0000 | |
| 190 | P | A | -0.4985 | |
| 191 | S | A | -0.6949 | |
| 192 | S | A | -0.6550 | |
| 193 | S | A | -0.7562 | |
| 194 | L | A | -0.8586 | |
| 195 | G | A | -1.2006 | |
| 196 | T | A | -1.0494 | |
| 197 | K | A | -1.7618 | |
| 198 | T | A | -1.6923 | |
| 199 | Y | A | 0.0000 | |
| 200 | T | A | -2.0216 | |
| 201 | C | A | 0.0000 | |
| 202 | N | A | -1.7543 | |
| 203 | V | A | 0.0000 | |
| 204 | D | A | -2.1348 | |
| 205 | H | A | 0.0000 | |
| 206 | K | A | -2.6840 | |
| 207 | P | A | -1.5302 | |
| 208 | S | A | -1.8435 | |
| 209 | N | A | -2.4737 | |
| 210 | T | A | -2.0924 | |
| 211 | K | A | -2.7077 | |
| 212 | V | A | -1.5943 | |
| 213 | D | A | -2.7416 | |
| 214 | K | A | -2.5827 | |
| 215 | R | A | -2.9615 | |
| 216 | V | A | 0.0000 | |
| 217 | E | A | -2.8102 | |
| 218 | S | A | -1.9066 | |
| 219 | K | A | -2.5354 | |
| 220 | D | B | -2.3952 | |
| 221 | I | B | 0.0000 | |
| 222 | V | B | 0.5721 | |
| 223 | M | B | 0.0000 | |
| 224 | T | B | -1.0151 | |
| 225 | Q | B | 0.0000 | |
| 226 | S | B | -1.7344 | |
| 227 | P | B | -1.5616 | |
| 228 | D | B | -2.4637 | |
| 229 | S | B | -1.7000 | |
| 230 | L | B | -1.0567 | |
| 231 | S | B | -0.8650 | |
| 232 | V | B | -1.1983 | |
| 233 | S | B | -1.1558 | |
| 234 | L | B | -0.2212 | |
| 235 | G | B | -1.1736 | |
| 236 | E | B | -2.6452 | |
| 237 | R | B | -2.7688 | |
| 238 | A | B | 0.0000 | |
| 239 | T | B | -0.9048 | |
| 240 | I | B | 0.0000 | |
| 241 | N | B | -2.0940 | |
| 242 | C | B | 0.0000 | |
| 243 | R | B | -2.9247 | |
| 244 | A | B | 0.0000 | |
| 245 | S | B | -1.3548 | |
| 246 | K | B | -2.5848 | |
| 247 | S | B | -2.0284 | |
| 248 | V | B | 0.0000 | |
| 249 | D | B | -1.2878 | |
| 250 | S | B | -0.3892 | |
| 251 | Y | B | 0.6841 | |
| 252 | G | B | -0.4282 | |
| 253 | N | B | -0.8488 | |
| 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 | -2.1013 | |
| 263 | P | B | -1.6913 | |
| 264 | G | B | -1.7307 | |
| 265 | Q | B | -2.2012 | |
| 266 | P | B | -1.6175 | |
| 267 | P | B | 0.0000 | |
| 268 | K | B | -1.7963 | |
| 269 | L | B | 0.0000 | |
| 270 | L | B | 0.0000 | |
| 271 | I | B | 0.0000 | |
| 272 | Y | B | 0.3419 | |
| 273 | L | B | 0.1365 | |
| 274 | A | B | 0.0000 | |
| 275 | S | B | -0.4085 | |
| 276 | N | B | -0.4362 | |
| 277 | L | B | -0.3059 | |
| 278 | E | B | -0.7604 | |
| 279 | S | B | -0.6819 | |
| 280 | G | B | -0.7485 | |
| 281 | V | B | -0.7816 | |
| 282 | P | B | -1.1195 | |
| 283 | D | B | -2.0460 | |
| 284 | R | B | -1.6308 | |
| 285 | F | B | 0.0000 | |
| 286 | S | B | -0.7354 | |
| 287 | G | B | -0.4287 | |
| 288 | S | B | -0.9149 | |
| 289 | G | B | -1.4156 | |
| 290 | S | B | -1.4869 | |
| 291 | G | B | -1.7294 | |
| 292 | T | B | -2.2339 | |
| 293 | D | B | -3.1640 | |
| 294 | F | B | 0.0000 | |
| 295 | T | B | -1.2997 | |
| 296 | L | B | 0.0000 | |
| 297 | T | B | -0.7532 | |
| 298 | I | B | 0.0000 | |
| 299 | S | B | -1.9037 | |
| 300 | S | B | -1.5715 | |
| 301 | L | B | 0.0000 | |
| 302 | Q | B | -1.5323 | |
| 303 | A | B | -1.8848 | |
| 304 | E | B | -2.7442 | |
| 305 | D | B | 0.0000 | |
| 306 | V | B | 0.0000 | |
| 307 | A | B | 0.0000 | |
| 308 | V | B | -0.9849 | |
| 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 | -1.3567 | |
| 315 | N | B | -2.1063 | |
| 316 | E | B | -3.5260 | |
| 317 | D | B | -3.1851 | |
| 318 | P | B | 0.0000 | |
| 319 | R | B | 0.0000 | |
| 320 | T | B | -0.6999 | |
| 321 | F | B | 0.0000 | |
| 322 | G | B | 0.0000 | |
| 323 | G | B | -1.0924 | |
| 324 | G | B | -1.3601 | |
| 325 | T | B | 0.0000 | |
| 326 | K | B | -2.0929 | |
| 327 | V | B | 0.0000 | |
| 328 | E | B | -1.7649 | |
| 329 | I | B | 0.0000 | |
| 330 | K | B | -1.6540 | |
| 331 | R | B | -0.8816 | |
| 332 | T | B | -0.2150 | |
| 333 | V | B | 0.0720 | |
| 334 | A | B | -0.1755 | |
| 335 | A | B | -0.2098 | |
| 336 | P | B | 0.0000 | |
| 337 | S | B | -0.2213 | |
| 338 | V | B | 0.0000 | |
| 339 | F | B | 0.0000 | |
| 340 | I | B | 0.0000 | |
| 341 | F | B | 0.0000 | |
| 342 | P | B | -0.6496 | |
| 343 | P | B | -0.7265 | |
| 344 | S | B | -1.6738 | |
| 345 | D | B | -2.8106 | |
| 346 | E | B | -2.9370 | |
| 347 | Q | B | 0.0000 | |
| 348 | L | B | -2.1562 | |
| 349 | K | B | -2.7411 | |
| 350 | S | B | -1.7115 | |
| 351 | G | B | -1.1830 | |
| 352 | T | B | -0.9507 | |
| 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 | -0.9175 | |
| 362 | F | B | 0.0000 | |
| 363 | Y | B | 0.0000 | |
| 364 | P | B | -1.8838 | |
| 365 | R | B | -3.1842 | |
| 366 | E | B | -3.2816 | |
| 367 | A | B | -2.3743 | |
| 368 | K | B | -2.4151 | |
| 369 | V | B | -1.0623 | |
| 370 | Q | B | -0.4807 | |
| 371 | W | B | 0.0000 | |
| 372 | K | B | -0.5146 | |
| 373 | V | B | 0.0000 | |
| 374 | D | B | -2.0239 | |
| 375 | N | B | -1.5957 | |
| 376 | A | B | -0.2978 | |
| 377 | L | B | 0.7624 | |
| 378 | Q | B | -0.0196 | |
| 379 | S | B | -0.3873 | |
| 380 | G | B | -0.8171 | |
| 381 | N | B | -0.6824 | |
| 382 | S | B | -0.9741 | |
| 383 | Q | B | -1.1339 | |
| 384 | E | B | -1.8312 | |
| 385 | S | B | -0.8138 | |
| 386 | V | B | -0.9162 | |
| 387 | T | B | -1.2457 | |
| 388 | E | B | -2.4556 | |
| 389 | Q | B | 0.0000 | |
| 390 | D | B | -2.2918 | |
| 391 | S | B | -2.5950 | |
| 392 | K | B | -2.6623 | |
| 393 | D | B | -1.8107 | |
| 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 | 0.0000 | |
| 402 | L | B | 0.0000 | |
| 403 | T | B | -0.3375 | |
| 404 | L | B | -0.5781 | |
| 405 | S | B | -0.9160 | |
| 406 | K | B | -1.8420 | |
| 407 | A | B | -1.7331 | |
| 408 | D | B | -2.3464 | |
| 409 | Y | B | 0.0000 | |
| 410 | E | B | -3.2618 | |
| 411 | K | B | -3.4611 | |
| 412 | H | B | -2.9878 | |
| 413 | K | B | -2.8276 | |
| 414 | V | B | -1.3548 | |
| 415 | Y | B | 0.0000 | |
| 416 | A | B | 0.0000 | |
| 417 | C | B | 0.0000 | |
| 418 | E | B | -0.8194 | |
| 419 | V | B | 0.0000 | |
| 420 | T | B | -1.1757 | |
| 421 | H | B | 0.0000 | |
| 422 | Q | B | -1.8242 | |
| 423 | G | B | -0.5548 | |
| 424 | L | B | -0.3399 | |
| 425 | S | B | -0.5072 | |
| 426 | S | B | -0.4527 | |
| 427 | P | B | -0.5597 | |
| 428 | V | B | -0.0273 | |
| 429 | T | B | -0.4590 | |
| 430 | K | B | -0.7504 | |
| 431 | S | B | -0.5120 | |
| 432 | F | B | 0.0000 | |
| 433 | N | B | -1.4800 | |
| 434 | R | B | -2.3967 | |
| 435 | G | B | -1.8460 | |
| 436 | E | B | -2.2901 | |
| 437 | C | B | -0.6958 |
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