| Chain sequence(s) |
B: DIVLTQSPASLAVSLGQRATISCRASESVDSYGQSYMHWYQQKAGQPPKLLIYLASNLESGVPARFSGSGSRTDFTLTIDPVQAEDAATYYCQQNAEDSRTFGGGTKLEIKGGGGGGGDIQMTQSPASLSVSVGDTITLTCHASQNIDVWLSWFQQKPGNIPKLLIYKASNLHTGVPSRFSGSGSGTGFTLTISSLQPEDIATYYCQQAHSYPFTFGGGTKLEIKGGGGGRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNR
input PDB |
| Selected Chain(s) | 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 B 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 (00:02:38)
[INFO] Main: Simulation completed successfully. (00:02:41)
|
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 | D | B | -2.0132 | |
| 2 | I | B | -0.6512 | |
| 3 | V | B | 0.7507 | |
| 4 | L | B | 0.0000 | |
| 5 | T | B | -0.5717 | |
| 6 | Q | B | -1.0675 | |
| 7 | S | B | -0.7279 | |
| 8 | P | B | -0.5277 | |
| 9 | A | B | -0.6236 | |
| 10 | S | B | -0.9916 | |
| 11 | L | B | -0.7397 | |
| 12 | A | B | -1.1551 | |
| 13 | V | B | -1.2482 | |
| 14 | S | B | -1.5862 | |
| 15 | L | B | -1.3523 | |
| 16 | G | B | -1.5746 | |
| 17 | Q | B | -2.3792 | |
| 18 | R | B | -2.8348 | |
| 19 | A | B | 0.0000 | |
| 20 | T | B | -0.7303 | |
| 21 | I | B | 0.0000 | |
| 22 | S | B | -0.8814 | |
| 23 | C | B | 0.0000 | |
| 24 | R | B | -2.5879 | |
| 25 | A | B | 0.0000 | |
| 26 | S | B | -1.2665 | |
| 27 | E | B | -2.3229 | |
| 28 | S | B | -2.0415 | |
| 29 | V | B | 0.0000 | |
| 30 | D | B | -1.2095 | |
| 31 | S | B | -0.3779 | |
| 34 | Y | B | 0.7257 | |
| 35 | G | B | -0.5169 | |
| 36 | Q | B | -0.9106 | |
| 37 | S | B | -0.8902 | |
| 38 | Y | B | -0.5933 | |
| 39 | M | B | 0.0000 | |
| 40 | H | B | 0.2476 | |
| 41 | W | B | 0.0000 | |
| 42 | Y | B | 0.0533 | |
| 43 | Q | B | 0.0000 | |
| 44 | Q | B | -1.5617 | |
| 45 | K | B | -2.0311 | |
| 46 | A | B | -0.9584 | |
| 47 | G | B | -1.2282 | |
| 48 | Q | B | -1.8412 | |
| 49 | P | B | -1.4543 | |
| 50 | P | B | -1.3092 | |
| 51 | K | B | -1.4839 | |
| 52 | L | B | 0.0062 | |
| 53 | L | B | 0.0000 | |
| 54 | I | B | 0.0000 | |
| 55 | Y | B | 0.5453 | |
| 56 | L | B | 0.1721 | |
| 57 | A | B | 0.0000 | |
| 65 | S | B | -0.4861 | |
| 66 | N | B | -0.5188 | |
| 67 | L | B | 0.1158 | |
| 68 | E | B | -0.5263 | |
| 69 | S | B | -0.5032 | |
| 70 | G | B | -0.5025 | |
| 71 | V | B | -0.0278 | |
| 72 | P | B | -0.2168 | |
| 74 | A | B | -0.1564 | |
| 75 | R | B | -0.8476 | |
| 76 | F | B | 0.0000 | |
| 77 | S | B | -0.4096 | |
| 78 | G | B | -0.3433 | |
| 79 | S | B | -0.8888 | |
| 80 | G | B | -1.4495 | |
| 83 | S | B | -1.5891 | |
| 84 | R | B | -2.8336 | |
| 85 | T | B | -2.3600 | |
| 86 | D | B | -2.3416 | |
| 87 | F | B | 0.0000 | |
| 88 | T | B | -0.7040 | |
| 89 | L | B | 0.0000 | |
| 90 | T | B | -0.7615 | |
| 91 | I | B | 0.0000 | |
| 92 | D | B | -1.9732 | |
| 93 | P | B | -1.7806 | |
| 94 | V | B | 0.0000 | |
| 95 | Q | B | -1.6914 | |
| 96 | A | B | -1.6223 | |
| 97 | E | B | -2.1980 | |
| 98 | D | B | 0.0000 | |
| 99 | A | B | -1.5445 | |
| 100 | A | B | 0.0000 | |
| 101 | T | B | -1.2352 | |
| 102 | Y | B | 0.0000 | |
| 103 | Y | B | 0.1631 | |
| 104 | C | B | 0.0000 | |
| 105 | Q | B | 0.0000 | |
| 106 | Q | B | 0.0000 | |
| 107 | N | B | -2.5485 | |
| 108 | A | B | -2.2446 | |
| 109 | E | B | -3.7227 | |
| 114 | D | B | -3.6223 | |
| 115 | S | B | -3.0730 | |
| 116 | R | B | -2.9926 | |
| 117 | T | B | -0.9432 | |
| 118 | F | B | 0.7471 | |
| 119 | G | B | 0.1613 | |
| 120 | G | B | -0.4445 | |
| 121 | G | B | 0.0000 | |
| 122 | T | B | 0.0000 | |
| 123 | K | B | -2.1287 | |
| 124 | L | B | 0.0000 | |
| 125 | E | B | -2.2275 | |
| 126 | I | B | -1.6096 | |
| 127 | K | B | -2.2240 | |
| 128 | G | B | -1.7027 | |
| 129 | G | B | -1.5937 | |
| 130 | G | B | -1.6487 | |
| 131 | G | B | -1.7018 | |
| 132 | G | B | -1.6719 | |
| 133 | G | B | -1.1861 | |
| 134 | G | B | -1.9078 | |
| 135 | D | B | -2.5405 | |
| 136 | I | B | 0.0000 | |
| 137 | Q | B | -1.7995 | |
| 138 | M | B | 0.0000 | |
| 139 | T | B | -1.0415 | |
| 140 | Q | B | -0.9724 | |
| 141 | S | B | -0.6480 | |
| 142 | P | B | -0.3626 | |
| 143 | A | B | -0.4588 | |
| 144 | S | B | -0.5892 | |
| 145 | L | B | -0.0651 | |
| 146 | S | B | -0.3397 | |
| 147 | V | B | -0.1616 | |
| 148 | S | B | -0.0664 | |
| 149 | V | B | 0.7195 | |
| 150 | G | B | -0.7568 | |
| 151 | D | B | -1.6710 | |
| 152 | T | B | -0.9875 | |
| 153 | I | B | 0.0000 | |
| 154 | T | B | -0.3077 | |
| 155 | L | B | 0.0000 | |
| 156 | T | B | -0.5270 | |
| 157 | C | B | 0.0000 | |
| 158 | H | B | -1.7918 | |
| 159 | A | B | 0.0000 | |
| 160 | S | B | -2.0407 | |
| 161 | Q | B | -2.7828 | |
| 162 | N | B | -2.4560 | |
| 163 | I | B | 0.0000 | |
| 164 | D | B | -2.1081 | |
| 165 | V | B | -0.4004 | |
| 166 | W | B | -0.2740 | |
| 167 | L | B | 0.0000 | |
| 168 | S | B | 0.5479 | |
| 169 | W | B | 0.0000 | |
| 170 | F | B | 0.1761 | |
| 171 | Q | B | 0.0000 | |
| 172 | Q | B | -1.4213 | |
| 173 | K | B | -2.7811 | |
| 174 | P | B | -1.6909 | |
| 175 | G | B | -1.2621 | |
| 176 | N | B | -1.4183 | |
| 177 | I | B | 0.3660 | |
| 178 | P | B | -0.6780 | |
| 179 | K | B | -1.4172 | |
| 180 | L | B | -0.3663 | |
| 181 | L | B | 0.0000 | |
| 182 | I | B | 0.0000 | |
| 183 | Y | B | 0.2842 | |
| 184 | K | B | -0.6465 | |
| 185 | A | B | 0.0000 | |
| 186 | S | B | -0.4581 | |
| 187 | N | B | -0.5455 | |
| 188 | L | B | 0.1224 | |
| 189 | H | B | -0.4660 | |
| 190 | T | B | -0.3156 | |
| 191 | G | B | -0.5359 | |
| 192 | V | B | 0.0000 | |
| 193 | P | B | -0.5335 | |
| 194 | S | B | -0.5796 | |
| 195 | R | B | -0.8224 | |
| 196 | F | B | 0.0000 | |
| 197 | S | B | -0.4448 | |
| 198 | G | B | -0.2962 | |
| 199 | S | B | -0.6270 | |
| 200 | G | B | -0.8290 | |
| 201 | S | B | -1.1979 | |
| 202 | G | B | -1.7236 | |
| 203 | T | B | -1.8807 | |
| 204 | G | B | -1.4184 | |
| 205 | F | B | 0.0000 | |
| 206 | T | B | -0.4924 | |
| 207 | L | B | 0.0000 | |
| 208 | T | B | -0.2861 | |
| 209 | I | B | 0.0000 | |
| 210 | S | B | -1.0241 | |
| 211 | S | B | -0.9685 | |
| 212 | L | B | 0.0000 | |
| 213 | Q | B | -1.2429 | |
| 214 | P | B | -1.0277 | |
| 215 | E | B | -2.3193 | |
| 216 | D | B | 0.0000 | |
| 217 | I | B | -0.8643 | |
| 218 | A | B | 0.0000 | |
| 219 | T | B | 0.0000 | |
| 220 | Y | B | 0.0000 | |
| 221 | Y | B | 0.2473 | |
| 222 | C | B | 0.0000 | |
| 223 | Q | B | 0.7186 | |
| 224 | Q | B | 0.0000 | |
| 225 | A | B | 0.2890 | |
| 226 | H | B | -0.7695 | |
| 227 | S | B | -0.2136 | |
| 228 | Y | B | 0.6631 | |
| 229 | P | B | 0.3490 | |
| 230 | F | B | 0.7012 | |
| 231 | T | B | 0.4968 | |
| 232 | F | B | 1.6899 | |
| 233 | G | B | 0.2930 | |
| 234 | G | B | -0.4162 | |
| 235 | G | B | -0.2791 | |
| 236 | T | B | 0.0000 | |
| 237 | K | B | -1.3717 | |
| 238 | L | B | 0.0000 | |
| 239 | E | B | -1.5095 | |
| 240 | I | B | 0.0420 | |
| 241 | K | B | -1.1596 | |
| 242 | G | B | -1.0232 | |
| 243 | G | B | -1.5940 | |
| 244 | G | B | -1.4643 | |
| 245 | G | B | -1.4374 | |
| 246 | G | B | -1.6933 | |
| 247 | R | B | -2.3683 | |
| 248 | T | B | 0.0000 | |
| 249 | V | B | -1.0132 | |
| 250 | A | B | -0.5872 | |
| 251 | A | B | -0.0620 | |
| 252 | P | B | 0.0000 | |
| 253 | S | B | 0.1374 | |
| 254 | V | B | 0.6160 | |
| 255 | F | B | 1.2016 | |
| 256 | I | B | 1.2402 | |
| 257 | F | B | 1.1822 | |
| 258 | P | B | -0.3143 | |
| 259 | P | B | 0.0000 | |
| 260 | S | B | -1.8466 | |
| 261 | D | B | -3.4388 | |
| 262 | E | B | -3.5886 | |
| 263 | Q | B | -2.8679 | |
| 264 | L | B | -2.6956 | |
| 265 | K | B | -3.1752 | |
| 266 | S | B | -2.1818 | |
| 267 | G | B | -1.6907 | |
| 268 | T | B | -1.6417 | |
| 269 | A | B | 0.0000 | |
| 270 | S | B | -0.2551 | |
| 271 | V | B | 0.0000 | |
| 272 | V | B | 0.6521 | |
| 273 | C | B | 0.0000 | |
| 274 | L | B | 0.6762 | |
| 275 | L | B | 0.0000 | |
| 276 | N | B | -0.5145 | |
| 277 | N | B | -0.5407 | |
| 278 | F | B | 0.0000 | |
| 279 | Y | B | -1.1585 | |
| 280 | P | B | -1.3331 | |
| 281 | R | B | -2.2146 | |
| 282 | E | B | -2.8346 | |
| 283 | A | B | 0.0000 | |
| 284 | K | B | -2.5428 | |
| 285 | V | B | -1.5661 | |
| 286 | Q | B | -1.3963 | |
| 287 | W | B | 0.0000 | |
| 288 | K | B | -1.0169 | |
| 289 | V | B | -1.0727 | |
| 290 | D | B | -1.5643 | |
| 291 | N | B | -1.5918 | |
| 292 | A | B | -0.6106 | |
| 293 | L | B | -0.4240 | |
| 294 | Q | B | -1.4207 | |
| 295 | S | B | -1.3259 | |
| 296 | G | B | -1.5922 | |
| 297 | N | B | -2.0982 | |
| 298 | S | B | -1.8327 | |
| 299 | Q | B | -2.0101 | |
| 300 | E | B | -2.3375 | |
| 301 | S | B | -0.6759 | |
| 302 | V | B | -0.2938 | |
| 303 | T | B | -1.0556 | |
| 304 | E | B | -2.3129 | |
| 305 | Q | B | -2.4606 | |
| 306 | D | B | -2.2378 | |
| 307 | S | B | -2.0634 | |
| 308 | K | B | -2.2992 | |
| 309 | D | B | -2.4024 | |
| 310 | S | B | -1.9684 | |
| 311 | T | B | 0.0000 | |
| 312 | Y | B | 0.0000 | |
| 313 | S | B | -0.7352 | |
| 314 | L | B | 0.0000 | |
| 315 | S | B | -0.1929 | |
| 316 | S | B | 0.0000 | |
| 317 | T | B | -0.7135 | |
| 318 | L | B | 0.0000 | |
| 319 | T | B | -0.5845 | |
| 320 | L | B | -0.4717 | |
| 321 | S | B | -0.8627 | |
| 322 | K | B | -1.8768 | |
| 323 | A | B | -1.6480 | |
| 324 | D | B | -1.9759 | |
| 325 | Y | B | 0.0000 | |
| 326 | E | B | -3.5326 | |
| 327 | K | B | -3.3576 | |
| 328 | H | B | -3.1293 | |
| 329 | K | B | -3.5395 | |
| 330 | V | B | -2.1614 | |
| 331 | Y | B | 0.0000 | |
| 332 | A | B | -0.7305 | |
| 333 | C | B | 0.0000 | |
| 334 | E | B | -0.8394 | |
| 335 | V | B | 0.0000 | |
| 336 | T | B | -1.2317 | |
| 337 | H | B | 0.0000 | |
| 338 | Q | B | -1.7521 | |
| 339 | G | B | -0.8787 | |
| 340 | L | B | 0.0000 | |
| 341 | S | B | -0.4428 | |
| 342 | S | B | -0.2466 | |
| 343 | P | B | -0.1036 | |
| 344 | V | B | 0.8607 | |
| 345 | T | B | 0.2549 | |
| 346 | K | B | 0.2350 | |
| 347 | S | B | -0.0980 | |
| 348 | F | B | -0.7646 | |
| 349 | N | B | -2.3641 | |
| 350 | R | B | -3.0667 |
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