| Chain sequence(s) |
A: EVQLLESGGGLVQPGGSLRLSCAVSGFTFNSFAMSWVRQAPGKGLEWVSAISGSGGGTYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYFCAKDKILWFGEPVFDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK
input PDB |
| Selected Chain(s) | A |
| 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 A 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 (00:08:06)
[INFO] Main: Simulation completed successfully. (00:08:11)
|
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 | E | A | -2.0598 | |
| 2 | V | A | -1.0859 | |
| 3 | Q | A | -1.1297 | |
| 4 | L | A | 0.0000 | |
| 5 | L | A | 0.3202 | |
| 6 | E | A | 0.0000 | |
| 7 | S | A | -0.5248 | |
| 8 | G | A | -0.8829 | |
| 9 | G | A | -0.3924 | |
| 10 | G | A | -0.3910 | |
| 11 | L | A | 0.0598 | |
| 12 | V | A | -0.5269 | |
| 13 | Q | A | -1.4655 | |
| 14 | P | A | -1.5491 | |
| 15 | G | A | -1.2795 | |
| 16 | G | A | -0.9806 | |
| 17 | S | A | -1.2690 | |
| 18 | L | A | -1.2306 | |
| 19 | R | A | -2.2294 | |
| 20 | L | A | 0.0000 | |
| 21 | S | A | -0.5719 | |
| 22 | C | A | 0.0000 | |
| 23 | A | A | -0.3693 | |
| 24 | V | A | 0.0000 | |
| 25 | S | A | -1.0512 | |
| 26 | G | A | -1.1516 | |
| 27 | F | A | -0.5290 | |
| 28 | T | A | -0.5328 | |
| 29 | F | A | 0.0000 | |
| 30 | N | A | -1.6232 | |
| 31 | S | A | -0.6376 | |
| 32 | F | A | 0.0285 | |
| 33 | A | A | -0.0492 | |
| 34 | M | A | 0.0000 | |
| 35 | S | A | 0.0000 | |
| 36 | W | A | 0.0000 | |
| 37 | V | A | 0.0000 | |
| 38 | R | A | 0.0000 | |
| 39 | Q | A | -0.5620 | |
| 40 | A | A | -1.1650 | |
| 41 | P | A | -1.0030 | |
| 42 | G | A | -1.4386 | |
| 43 | K | A | -2.1137 | |
| 44 | G | A | -0.9369 | |
| 45 | L | A | 0.5286 | |
| 46 | E | A | -0.1611 | |
| 47 | W | A | 0.2099 | |
| 48 | V | A | 0.0000 | |
| 49 | S | A | 0.0000 | |
| 50 | A | A | 0.0000 | |
| 51 | I | A | 0.0000 | |
| 52 | S | A | -0.3651 | |
| 53 | G | A | -0.8253 | |
| 54 | S | A | -0.9768 | |
| 55 | G | A | -0.9567 | |
| 56 | G | A | -0.7103 | |
| 57 | G | A | -0.1607 | |
| 58 | T | A | 0.4322 | |
| 59 | Y | A | 0.9305 | |
| 60 | Y | A | -0.2027 | |
| 61 | A | A | -1.0331 | |
| 62 | D | A | -2.2504 | |
| 63 | S | A | -1.7540 | |
| 64 | V | A | 0.0000 | |
| 65 | K | A | -2.4244 | |
| 66 | G | A | -1.7413 | |
| 67 | R | A | -1.4551 | |
| 68 | F | A | 0.0000 | |
| 69 | T | A | -0.7960 | |
| 70 | I | A | 0.0000 | |
| 71 | S | A | -0.5111 | |
| 72 | R | A | -1.2191 | |
| 73 | D | A | -1.8757 | |
| 74 | N | A | -2.1867 | |
| 75 | S | A | -1.8109 | |
| 76 | K | A | -2.4391 | |
| 77 | N | A | -2.0229 | |
| 78 | T | A | -1.1195 | |
| 79 | L | A | 0.0000 | |
| 80 | Y | A | -0.6937 | |
| 81 | L | A | 0.0000 | |
| 82 | Q | A | -1.5369 | |
| 83 | M | A | 0.0000 | |
| 84 | N | A | -1.3694 | |
| 85 | S | A | -1.1517 | |
| 86 | L | A | 0.0000 | |
| 87 | R | A | -2.0753 | |
| 88 | A | A | -1.6022 | |
| 89 | E | A | -2.1603 | |
| 90 | D | A | 0.0000 | |
| 91 | T | A | -0.7055 | |
| 92 | A | A | 0.0000 | |
| 93 | V | A | 0.3651 | |
| 94 | Y | A | 0.0000 | |
| 95 | F | A | 0.3628 | |
| 96 | C | A | 0.0000 | |
| 97 | A | A | 0.0000 | |
| 98 | K | A | 0.0000 | |
| 99 | D | A | -0.0411 | |
| 100 | K | A | -0.0364 | |
| 101 | I | A | 1.6426 | |
| 102 | L | A | 1.5160 | |
| 103 | W | A | 2.1315 | |
| 104 | F | A | 2.1635 | |
| 105 | G | A | 0.5447 | |
| 106 | E | A | -0.6586 | |
| 107 | P | A | -0.0993 | |
| 108 | V | A | 0.1739 | |
| 109 | F | A | 0.3417 | |
| 110 | D | A | -0.5649 | |
| 111 | Y | A | 0.1851 | |
| 112 | W | A | 0.3163 | |
| 113 | G | A | -0.1023 | |
| 114 | Q | A | -0.9112 | |
| 115 | G | A | 0.0000 | |
| 116 | T | A | 0.0327 | |
| 117 | L | A | 0.1739 | |
| 118 | V | A | 0.0000 | |
| 119 | T | A | -0.3508 | |
| 120 | V | A | 0.0000 | |
| 121 | S | A | -0.7992 | |
| 122 | S | A | -0.5975 | |
| 123 | A | A | -0.4873 | |
| 124 | S | A | -0.5763 | |
| 125 | T | A | -0.9188 | |
| 126 | K | A | -1.5919 | |
| 127 | G | A | -1.7160 | |
| 128 | P | A | 0.0000 | |
| 129 | S | A | -0.3208 | |
| 130 | V | A | 0.0000 | |
| 131 | F | A | 0.5082 | |
| 132 | P | A | -0.0947 | |
| 133 | L | A | 0.3881 | |
| 134 | A | A | -0.6365 | |
| 135 | P | A | -0.8395 | |
| 136 | S | A | -1.0912 | |
| 137 | S | A | -1.4225 | |
| 138 | K | A | -2.0637 | |
| 139 | S | A | -1.3650 | |
| 140 | T | A | -1.1416 | |
| 141 | S | A | -1.0492 | |
| 142 | G | A | -1.0766 | |
| 143 | G | A | -0.9257 | |
| 144 | T | A | -0.6347 | |
| 145 | A | A | 0.0000 | |
| 146 | A | A | 0.1210 | |
| 147 | L | A | 0.0000 | |
| 148 | G | A | 0.0000 | |
| 149 | C | A | 0.0000 | |
| 150 | L | A | 0.6004 | |
| 151 | V | A | 0.0000 | |
| 152 | K | A | -0.3345 | |
| 153 | D | A | -0.4612 | |
| 154 | Y | A | 0.0000 | |
| 155 | F | A | 0.0000 | |
| 156 | P | A | 0.0000 | |
| 157 | E | A | -0.3202 | |
| 158 | P | A | -0.7945 | |
| 159 | V | A | -0.8272 | |
| 160 | T | A | -0.7722 | |
| 161 | V | A | -0.5502 | |
| 162 | S | A | -0.4552 | |
| 163 | W | A | 0.0000 | |
| 164 | N | A | -0.7491 | |
| 165 | S | A | -0.6656 | |
| 166 | G | A | -0.4975 | |
| 167 | A | A | -0.2416 | |
| 168 | L | A | 0.0099 | |
| 169 | T | A | -0.3016 | |
| 170 | S | A | -0.3255 | |
| 171 | G | A | -0.3993 | |
| 172 | V | A | -0.0660 | |
| 173 | H | A | -0.4608 | |
| 174 | T | A | 0.3701 | |
| 175 | F | A | 1.4434 | |
| 176 | P | A | 0.9664 | |
| 177 | A | A | 1.3230 | |
| 178 | V | A | 2.4228 | |
| 179 | L | A | 2.0063 | |
| 180 | Q | A | 0.3988 | |
| 181 | S | A | -0.0924 | |
| 182 | S | A | -0.3645 | |
| 183 | G | A | 0.0187 | |
| 184 | L | A | 0.1300 | |
| 185 | Y | A | 0.7527 | |
| 186 | S | A | 0.0000 | |
| 187 | L | A | 0.0000 | |
| 188 | S | A | 0.7844 | |
| 189 | S | A | 0.0000 | |
| 190 | V | A | 0.4250 | |
| 191 | V | A | 0.0000 | |
| 192 | T | A | -0.2230 | |
| 193 | V | A | 0.0000 | |
| 194 | P | A | -0.5501 | |
| 195 | S | A | -0.5805 | |
| 196 | S | A | -0.5776 | |
| 197 | S | A | -0.6009 | |
| 198 | L | A | -0.9621 | |
| 199 | G | A | -1.3833 | |
| 200 | T | A | -0.8181 | |
| 201 | Q | A | -1.3927 | |
| 202 | T | A | -1.2302 | |
| 203 | Y | A | 0.0000 | |
| 204 | I | A | -1.2427 | |
| 205 | C | A | 0.0000 | |
| 206 | N | A | -1.6181 | |
| 207 | V | A | 0.0000 | |
| 208 | N | A | -2.3706 | |
| 209 | H | A | 0.0000 | |
| 210 | K | A | -2.8473 | |
| 211 | P | A | -1.6832 | |
| 212 | S | A | -1.9931 | |
| 213 | N | A | -2.7179 | |
| 214 | T | A | -2.2379 | |
| 215 | K | A | -2.8692 | |
| 216 | V | A | -1.7850 | |
| 217 | D | A | -2.6452 | |
| 218 | K | A | -2.1535 | |
| 219 | R | A | -2.4794 | |
| 220 | V | A | 0.0000 | |
| 221 | E | A | -2.8936 | |
| 222 | P | A | -1.8049 | |
| 223 | K | A | -2.4053 | |
| 224 | S | A | -1.8443 | |
| 225 | C | A | -1.3740 | |
| 226 | D | A | -2.7471 | |
| 227 | K | A | -2.6022 | |
| 228 | T | A | -1.7906 | |
| 229 | H | A | -1.6930 | |
| 230 | T | A | -0.8320 | |
| 231 | C | A | -0.2101 | |
| 232 | P | A | -0.1833 | |
| 233 | P | A | 0.1165 | |
| 234 | C | A | 0.4073 | |
| 235 | P | A | -0.4531 | |
| 236 | A | A | -0.5478 | |
| 237 | P | A | -0.5938 | |
| 238 | E | A | -1.2333 | |
| 239 | L | A | 0.2742 | |
| 240 | L | A | 1.1266 | |
| 241 | G | A | 0.2729 | |
| 242 | G | A | -0.2760 | |
| 243 | P | A | 0.0000 | |
| 244 | S | A | 0.0902 | |
| 245 | V | A | 0.0000 | |
| 246 | F | A | 1.1739 | |
| 247 | L | A | 0.8954 | |
| 248 | F | A | 1.2137 | |
| 249 | P | A | -0.1114 | |
| 250 | P | A | 0.0000 | |
| 251 | K | A | -1.8088 | |
| 252 | P | A | -1.1923 | |
| 253 | K | A | -1.0565 | |
| 254 | D | A | -1.3102 | |
| 255 | T | A | 0.0000 | |
| 256 | L | A | -0.2942 | |
| 257 | M | A | 0.3028 | |
| 258 | I | A | 1.3328 | |
| 259 | S | A | -0.0934 | |
| 260 | R | A | -1.3697 | |
| 261 | T | A | -0.8853 | |
| 262 | P | A | 0.0000 | |
| 263 | E | A | -1.0887 | |
| 264 | V | A | 0.0000 | |
| 265 | T | A | 0.0734 | |
| 266 | C | A | 0.0000 | |
| 267 | V | A | 0.0000 | |
| 268 | V | A | 0.0000 | |
| 269 | V | A | -0.4472 | |
| 270 | D | A | -0.7945 | |
| 271 | V | A | 0.0000 | |
| 272 | S | A | -1.9472 | |
| 273 | H | A | -2.5132 | |
| 274 | E | A | -2.9709 | |
| 275 | D | A | -2.5843 | |
| 276 | P | A | -2.6545 | |
| 277 | E | A | -3.0870 | |
| 278 | V | A | -2.0453 | |
| 279 | K | A | -2.2558 | |
| 280 | F | A | -1.4161 | |
| 281 | N | A | -1.2042 | |
| 282 | W | A | 0.0000 | |
| 283 | Y | A | -0.6535 | |
| 284 | V | A | -0.7737 | |
| 285 | D | A | -1.9171 | |
| 286 | G | A | -0.8336 | |
| 287 | V | A | 0.5346 | |
| 288 | E | A | -0.8199 | |
| 289 | V | A | -0.8204 | |
| 290 | H | A | -1.9421 | |
| 291 | N | A | -2.2160 | |
| 292 | A | A | -1.9010 | |
| 293 | K | A | -2.4293 | |
| 294 | T | A | -1.9268 | |
| 295 | K | A | -2.2712 | |
| 296 | P | A | -2.4004 | |
| 297 | R | A | -3.6073 | |
| 298 | E | A | -3.7669 | |
| 299 | E | A | -3.2169 | |
| 300 | Q | A | -1.4169 | |
| 301 | Y | A | 0.5840 | |
| 302 | N | A | -0.0325 | |
| 303 | S | A | -0.7137 | |
| 304 | T | A | 0.0000 | |
| 305 | Y | A | -2.3476 | |
| 306 | R | A | -2.4229 | |
| 307 | V | A | 0.0000 | |
| 308 | V | A | 0.0000 | |
| 309 | S | A | 0.0000 | |
| 310 | V | A | 0.0000 | |
| 311 | L | A | 0.0000 | |
| 312 | T | A | -0.6514 | |
| 313 | V | A | 0.0000 | |
| 314 | L | A | 0.4589 | |
| 315 | H | A | -0.2869 | |
| 316 | Q | A | -1.2350 | |
| 317 | D | A | -1.4101 | |
| 318 | W | A | 0.0000 | |
| 319 | L | A | -0.9538 | |
| 320 | N | A | -2.2297 | |
| 321 | G | A | -2.0975 | |
| 322 | K | A | -2.1669 | |
| 323 | E | A | -2.0679 | |
| 324 | Y | A | 0.0000 | |
| 325 | K | A | -1.6279 | |
| 326 | C | A | 0.0000 | |
| 327 | K | A | -1.6612 | |
| 328 | V | A | 0.0000 | |
| 329 | S | A | -1.5134 | |
| 330 | N | A | 0.0000 | |
| 331 | K | A | -2.5754 | |
| 332 | A | A | -1.4778 | |
| 333 | L | A | -0.6134 | |
| 334 | P | A | -0.4919 | |
| 335 | A | A | -0.4782 | |
| 336 | P | A | -1.0546 | |
| 337 | I | A | -0.7622 | |
| 338 | E | A | -2.1478 | |
| 339 | K | A | -1.3063 | |
| 340 | T | A | -1.0112 | |
| 341 | I | A | -0.2354 | |
| 342 | S | A | -1.2207 | |
| 343 | K | A | -1.5080 | |
| 344 | A | A | -1.2941 | |
| 345 | K | A | -2.4202 | |
| 346 | G | A | -2.0610 | |
| 347 | Q | A | -2.2390 | |
| 348 | P | A | -1.9768 | |
| 349 | R | A | -2.5202 | |
| 350 | E | A | -2.9935 | |
| 351 | P | A | 0.0000 | |
| 352 | Q | A | -1.6044 | |
| 353 | V | A | -0.4929 | |
| 354 | Y | A | 0.5613 | |
| 355 | T | A | 0.4279 | |
| 356 | L | A | 0.6418 | |
| 357 | P | A | -0.0253 | |
| 358 | P | A | -0.9793 | |
| 359 | S | A | -1.7568 | |
| 360 | R | A | -2.9360 | |
| 361 | E | A | -3.1952 | |
| 362 | E | A | -2.7974 | |
| 363 | M | A | -2.4928 | |
| 364 | T | A | -2.2601 | |
| 365 | K | A | -3.3017 | |
| 366 | N | A | -3.2066 | |
| 367 | Q | A | -3.1868 | |
| 368 | V | A | 0.0000 | |
| 369 | S | A | -0.9213 | |
| 370 | L | A | 0.0000 | |
| 371 | T | A | -0.2285 | |
| 372 | C | A | 0.0000 | |
| 373 | L | A | 0.4242 | |
| 374 | V | A | 0.0000 | |
| 375 | K | A | -0.8827 | |
| 376 | G | A | -1.5571 | |
| 377 | F | A | 0.0000 | |
| 378 | Y | A | -1.1634 | |
| 379 | P | A | 0.0000 | |
| 380 | S | A | 0.2176 | |
| 381 | D | A | -1.0176 | |
| 382 | I | A | -0.4769 | |
| 383 | A | A | -0.4341 | |
| 384 | V | A | 0.0000 | |
| 385 | E | A | -1.0039 | |
| 386 | W | A | 0.0000 | |
| 387 | E | A | -1.6536 | |
| 388 | S | A | 0.0000 | |
| 389 | N | A | -1.8779 | |
| 390 | G | A | -1.7745 | |
| 391 | Q | A | -2.2806 | |
| 392 | P | A | -1.9647 | |
| 393 | E | A | -2.0116 | |
| 394 | N | A | -2.5174 | |
| 395 | N | A | -2.4988 | |
| 396 | Y | A | -2.2804 | |
| 397 | K | A | -2.5444 | |
| 398 | T | A | -1.1128 | |
| 399 | T | A | -0.3384 | |
| 400 | P | A | 0.1245 | |
| 401 | P | A | 0.7698 | |
| 402 | V | A | 1.7585 | |
| 403 | L | A | 1.3312 | |
| 404 | D | A | -0.5907 | |
| 405 | S | A | -1.0972 | |
| 406 | D | A | -2.0778 | |
| 407 | G | A | -0.9375 | |
| 408 | S | A | 0.0000 | |
| 409 | F | A | 0.3647 | |
| 410 | F | A | 0.6522 | |
| 411 | L | A | 0.0000 | |
| 412 | Y | A | 0.3317 | |
| 413 | S | A | 0.0000 | |
| 414 | K | A | -1.9076 | |
| 415 | L | A | 0.0000 | |
| 416 | T | A | -1.7430 | |
| 417 | V | A | 0.0000 | |
| 418 | D | A | -2.9894 | |
| 419 | K | A | -2.9938 | |
| 420 | S | A | -2.3562 | |
| 421 | R | A | -2.1714 | |
| 422 | W | A | 0.0000 | |
| 423 | Q | A | -2.3765 | |
| 424 | Q | A | -2.1363 | |
| 425 | G | A | -1.2192 | |
| 426 | N | A | -0.9289 | |
| 427 | V | A | 0.0605 | |
| 428 | F | A | 0.0000 | |
| 429 | S | A | 0.0000 | |
| 430 | C | A | 0.0000 | |
| 431 | S | A | 0.0000 | |
| 432 | V | A | 0.0000 | |
| 433 | M | A | -0.2786 | |
| 434 | H | A | 0.0000 | |
| 435 | E | A | -1.0719 | |
| 436 | A | A | -1.5750 | |
| 437 | L | A | -1.5427 | |
| 438 | H | A | -1.7615 | |
| 439 | N | A | -1.6344 | |
| 440 | H | A | -1.1105 | |
| 441 | Y | A | -0.3000 | |
| 442 | T | A | -0.6075 | |
| 443 | Q | A | -0.7272 | |
| 444 | K | A | -0.9072 | |
| 445 | S | A | -0.3570 | |
| 446 | L | A | 0.0000 | |
| 447 | S | A | -0.0805 | |
| 448 | L | A | -0.2887 | |
| 449 | S | A | -0.6038 | |
| 450 | P | A | -1.1249 | |
| 451 | G | A | -1.4226 | |
| 452 | K | A | -2.0311 |
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