| Chain sequence(s) |
A: AETVESCLAKPHTENSFTNVWKEGDSRYANYEGCLWNAGGVVVCTGDETQCYGHWVPIGLAIPENEGGGSEGGGSEGGGSEGGGTKPPEYGDTPIPGYTYINPLDGTYPPGTEQNPANPNPSLEESQPLNTFAFQGNRFRNRQGALTVYTGTFTQGTDPVKTYYQYTPVSSRALYDAYWNGKFRDCAFHSGFNEDPFVCEYQGQSSDLPQPPANAGGESGGGSGGGSEGGGSEGGGSEGGGSEGGGSGGGSGSGARSDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHSHYTQKSLSLSPGK
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Mutated residues | QL165A |
| Energy difference between WT (input) and mutated protein (by FoldX) | -0.723416 kcal/mol |
| 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 A 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] FoldX: Building mutant model (00:01:50)
[INFO] FoldX: Starting FoldX energy minimalization (00:01:58)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:03:51)
[INFO] Main: Simulation completed successfully. (00:03:54)
|
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 | A | A | -0.6069 | |
| 2 | E | A | -1.0997 | |
| 3 | T | A | -0.1586 | |
| 4 | V | A | 0.9052 | |
| 5 | E | A | -0.7671 | |
| 6 | S | A | -0.4476 | |
| 7 | C | A | 0.0000 | |
| 8 | L | A | 1.3647 | |
| 9 | A | A | 0.0872 | |
| 10 | K | A | -0.6532 | |
| 11 | P | A | -0.8464 | |
| 12 | H | A | -1.4973 | |
| 13 | T | A | -1.6433 | |
| 14 | E | A | -2.4281 | |
| 15 | N | A | -1.4567 | |
| 16 | S | A | 0.0000 | |
| 17 | F | A | 0.0000 | |
| 18 | T | A | 0.0000 | |
| 19 | N | A | -1.4494 | |
| 20 | V | A | -0.5708 | |
| 21 | W | A | -1.1870 | |
| 22 | K | A | -1.8741 | |
| 23 | E | A | -2.5802 | |
| 24 | G | A | -1.8454 | |
| 25 | D | A | -1.7395 | |
| 26 | S | A | -1.3554 | |
| 27 | R | A | 0.0000 | |
| 28 | Y | A | -0.2618 | |
| 29 | A | A | 0.0000 | |
| 30 | N | A | -0.7132 | |
| 31 | Y | A | -1.0102 | |
| 32 | E | A | -2.0113 | |
| 33 | G | A | -0.8876 | |
| 34 | C | A | 0.0000 | |
| 35 | L | A | 0.0000 | |
| 36 | W | A | 0.0000 | |
| 37 | N | A | -0.0810 | |
| 38 | A | A | -0.3605 | |
| 39 | G | A | -0.3941 | |
| 40 | G | A | -0.0348 | |
| 41 | V | A | 1.4578 | |
| 42 | V | A | 0.0000 | |
| 43 | V | A | 0.0000 | |
| 44 | C | A | 0.0000 | |
| 45 | T | A | -1.0541 | |
| 46 | G | A | -1.4750 | |
| 47 | D | A | -2.2583 | |
| 48 | E | A | -1.5457 | |
| 49 | T | A | -1.2446 | |
| 50 | Q | A | -0.7348 | |
| 51 | C | A | 0.0000 | |
| 52 | Y | A | -0.3343 | |
| 53 | G | A | 0.0000 | |
| 54 | H | A | -1.3360 | |
| 55 | W | A | 0.0000 | |
| 56 | V | A | 0.0660 | |
| 57 | P | A | 0.0000 | |
| 58 | I | A | 1.6094 | |
| 59 | G | A | 1.4179 | |
| 60 | L | A | 1.2500 | |
| 61 | A | A | 0.6825 | |
| 62 | I | A | 0.8141 | |
| 63 | P | A | -1.0015 | |
| 64 | E | A | -2.9495 | |
| 65 | N | A | -3.1388 | |
| 66 | E | A | -3.3192 | |
| 67 | G | A | -2.6455 | |
| 68 | G | A | -2.3963 | |
| 69 | G | A | -1.7283 | |
| 70 | S | A | -1.7335 | |
| 71 | E | A | -2.6013 | |
| 72 | G | A | -1.8821 | |
| 73 | G | A | -1.5090 | |
| 74 | G | A | -1.6863 | |
| 75 | S | A | -1.5855 | |
| 76 | E | A | -2.3659 | |
| 77 | G | A | -1.8060 | |
| 78 | G | A | -1.3308 | |
| 79 | G | A | -1.3638 | |
| 80 | S | A | -1.6060 | |
| 81 | E | A | -2.4339 | |
| 82 | G | A | -1.8603 | |
| 83 | G | A | -1.6265 | |
| 84 | G | A | -1.5507 | |
| 85 | T | A | -1.4253 | |
| 86 | K | A | -2.4233 | |
| 87 | P | A | -1.8792 | |
| 88 | P | A | -1.7221 | |
| 89 | E | A | -2.4704 | |
| 90 | Y | A | -1.4033 | |
| 91 | G | A | -1.7272 | |
| 92 | D | A | -2.2738 | |
| 93 | T | A | -1.3200 | |
| 94 | P | A | -1.2256 | |
| 95 | I | A | -0.7746 | |
| 96 | P | A | -0.8674 | |
| 97 | G | A | 0.0000 | |
| 98 | Y | A | -0.4641 | |
| 99 | T | A | 0.0342 | |
| 100 | Y | A | 0.3412 | |
| 101 | I | A | -0.1100 | |
| 102 | N | A | -0.7234 | |
| 103 | P | A | 0.0000 | |
| 104 | L | A | -0.7188 | |
| 105 | D | A | -1.5334 | |
| 106 | G | A | -1.1503 | |
| 107 | T | A | -1.0567 | |
| 108 | Y | A | -1.3268 | |
| 109 | P | A | -1.3047 | |
| 110 | P | A | -1.5047 | |
| 111 | G | A | -1.8262 | |
| 112 | T | A | -1.8105 | |
| 113 | E | A | -2.1625 | |
| 114 | Q | A | -2.0206 | |
| 115 | N | A | 0.0000 | |
| 116 | P | A | -1.8149 | |
| 117 | A | A | 0.0000 | |
| 118 | N | A | -2.0188 | |
| 119 | P | A | -1.7218 | |
| 120 | N | A | -1.8609 | |
| 121 | P | A | -0.8144 | |
| 122 | S | A | -0.2344 | |
| 123 | L | A | 0.3529 | |
| 124 | E | A | -0.7185 | |
| 125 | E | A | -1.8109 | |
| 126 | S | A | -1.2633 | |
| 127 | Q | A | -1.1181 | |
| 128 | P | A | -0.7410 | |
| 129 | L | A | -0.4384 | |
| 130 | N | A | -0.8032 | |
| 131 | T | A | 0.0000 | |
| 132 | F | A | 0.0000 | |
| 133 | A | A | 0.1061 | |
| 134 | F | A | 0.0000 | |
| 135 | Q | A | 0.0000 | |
| 136 | G | A | -0.8611 | |
| 137 | N | A | 0.0000 | |
| 138 | R | A | -0.1363 | |
| 139 | F | A | 0.0000 | |
| 140 | R | A | -0.5965 | |
| 141 | N | A | -0.9577 | |
| 142 | R | A | -1.2892 | |
| 143 | Q | A | -1.1197 | |
| 144 | G | A | -0.6914 | |
| 145 | A | A | -0.8313 | |
| 146 | L | A | 0.0000 | |
| 147 | T | A | 0.0000 | |
| 148 | V | A | 0.0000 | |
| 149 | Y | A | 0.1849 | |
| 150 | T | A | -0.1026 | |
| 151 | G | A | 0.1592 | |
| 152 | T | A | 0.8321 | |
| 153 | F | A | 1.3042 | |
| 154 | T | A | 0.4177 | |
| 155 | Q | A | -1.0024 | |
| 156 | G | A | -1.1878 | |
| 157 | T | A | -0.9738 | |
| 158 | D | A | -1.7626 | |
| 159 | P | A | -0.9698 | |
| 160 | V | A | 0.1682 | |
| 161 | K | A | -0.7596 | |
| 162 | T | A | -0.0908 | |
| 163 | Y | A | 0.0231 | |
| 164 | Y | A | 0.3823 | |
| 165 | L | A | 0.7371 | mutated: QL165A |
| 166 | Y | A | 0.0000 | |
| 167 | T | A | -0.2578 | |
| 168 | P | A | 0.0000 | |
| 169 | V | A | 0.0000 | |
| 170 | S | A | -0.8452 | |
| 171 | S | A | 0.0000 | |
| 172 | R | A | -2.3130 | |
| 173 | A | A | -1.3640 | |
| 174 | L | A | 0.0000 | |
| 175 | Y | A | 0.0000 | |
| 176 | D | A | -2.0593 | |
| 177 | A | A | 0.0000 | |
| 178 | Y | A | 0.0000 | |
| 179 | W | A | -0.9323 | |
| 180 | N | A | -1.7973 | |
| 181 | G | A | -1.4056 | |
| 182 | K | A | -1.9141 | |
| 183 | F | A | 0.0000 | |
| 184 | R | A | -1.5211 | |
| 185 | D | A | -1.1620 | |
| 186 | C | A | 0.0000 | |
| 187 | A | A | 0.0000 | |
| 188 | F | A | -0.2269 | |
| 189 | H | A | -0.3345 | |
| 190 | S | A | -0.0951 | |
| 191 | G | A | 0.0625 | |
| 192 | F | A | 0.9521 | |
| 193 | N | A | -0.8642 | |
| 194 | E | A | -2.2675 | |
| 195 | D | A | -2.3554 | |
| 196 | P | A | -1.0070 | |
| 197 | F | A | -0.1231 | |
| 198 | V | A | 1.0438 | |
| 199 | C | A | 0.0000 | |
| 200 | E | A | -1.0606 | |
| 201 | Y | A | -0.7636 | |
| 202 | Q | A | -0.6738 | |
| 203 | G | A | 0.0000 | |
| 204 | Q | A | -1.1186 | |
| 205 | S | A | -1.0500 | |
| 206 | S | A | -1.1974 | |
| 207 | D | A | -1.8157 | |
| 208 | L | A | 0.0000 | |
| 209 | P | A | -1.0493 | |
| 210 | Q | A | -1.2230 | |
| 211 | P | A | -1.2389 | |
| 212 | P | A | 0.0000 | |
| 213 | A | A | -0.6099 | |
| 214 | N | A | -1.1299 | |
| 215 | A | A | -1.1397 | |
| 216 | G | A | -1.3737 | |
| 217 | G | A | -1.9060 | |
| 218 | E | A | -2.7314 | |
| 219 | S | A | -1.8622 | |
| 220 | G | A | -1.5942 | |
| 221 | G | A | -1.2135 | |
| 222 | G | A | -1.0317 | |
| 223 | S | A | -0.8771 | |
| 224 | G | A | -1.0100 | |
| 225 | G | A | -1.0189 | |
| 226 | G | A | -1.3649 | |
| 227 | S | A | -1.5710 | |
| 228 | E | A | -2.3743 | |
| 229 | G | A | -1.7730 | |
| 230 | G | A | -1.4224 | |
| 231 | G | A | -1.2924 | |
| 232 | S | A | -1.5368 | |
| 233 | E | A | -2.3746 | |
| 234 | G | A | -1.8352 | |
| 235 | G | A | -1.3576 | |
| 236 | G | A | -1.3327 | |
| 237 | S | A | -1.5807 | |
| 238 | E | A | -2.3632 | |
| 239 | G | A | -1.7479 | |
| 240 | G | A | -1.4093 | |
| 241 | G | A | -1.3419 | |
| 242 | S | A | -1.6735 | |
| 243 | E | A | -2.3876 | |
| 244 | G | A | -1.7565 | |
| 245 | G | A | -1.4760 | |
| 246 | G | A | -0.9920 | |
| 247 | S | A | -0.8584 | |
| 248 | G | A | -1.0260 | |
| 249 | G | A | -1.0402 | |
| 250 | G | A | -1.0090 | |
| 251 | S | A | -0.8018 | |
| 252 | G | A | -0.8798 | |
| 253 | S | A | -0.6988 | |
| 254 | G | A | -1.0043 | |
| 255 | A | A | -1.1712 | |
| 256 | R | A | -2.5788 | |
| 257 | S | A | -2.3837 | |
| 258 | D | A | -3.2474 | |
| 259 | K | A | -3.0935 | |
| 260 | T | A | -1.7600 | |
| 261 | H | A | -1.4867 | |
| 262 | T | A | -0.5437 | |
| 263 | C | A | 0.3326 | |
| 264 | P | A | 0.0014 | |
| 265 | P | A | 0.1172 | |
| 266 | C | A | 0.5252 | |
| 267 | P | A | -0.3895 | |
| 268 | A | A | -0.2946 | |
| 269 | P | A | -0.3571 | |
| 270 | E | A | -1.0793 | |
| 271 | L | A | 0.7604 | |
| 272 | L | A | 0.8071 | |
| 273 | G | A | -0.4331 | |
| 274 | G | A | -0.0321 | |
| 275 | P | A | 0.0000 | |
| 276 | S | A | -0.1747 | |
| 277 | V | A | 0.0000 | |
| 278 | F | A | 0.0000 | |
| 279 | L | A | 0.0000 | |
| 280 | F | A | -0.1874 | |
| 281 | P | A | -0.6059 | |
| 282 | P | A | 0.0000 | |
| 283 | K | A | -1.6897 | |
| 284 | P | A | -1.0134 | |
| 285 | K | A | -0.7277 | |
| 286 | D | A | -0.8676 | |
| 287 | T | A | 0.0000 | |
| 288 | L | A | 0.1353 | |
| 289 | M | A | 0.8494 | |
| 290 | I | A | 1.7064 | |
| 291 | S | A | 0.3526 | |
| 292 | R | A | -0.6159 | |
| 293 | T | A | -0.3733 | |
| 294 | P | A | 0.0000 | |
| 295 | E | A | -0.9166 | |
| 296 | V | A | 0.0000 | |
| 297 | T | A | -0.2441 | |
| 298 | C | A | 0.0000 | |
| 299 | V | A | 0.2118 | |
| 300 | V | A | 0.0000 | |
| 301 | V | A | 0.0000 | |
| 302 | D | A | -1.3288 | |
| 303 | V | A | 0.0000 | |
| 304 | S | A | -2.0233 | |
| 305 | H | A | -2.5885 | |
| 306 | E | A | -2.9598 | |
| 307 | D | A | -2.5940 | |
| 308 | P | A | -2.6639 | |
| 309 | E | A | -3.1257 | |
| 310 | V | A | -1.9498 | |
| 311 | K | A | -2.2328 | |
| 312 | F | A | -1.1753 | |
| 313 | N | A | -1.2834 | |
| 314 | W | A | 0.0000 | |
| 315 | Y | A | -0.8503 | |
| 316 | V | A | -1.0357 | |
| 317 | D | A | -2.2967 | |
| 318 | G | A | -1.0255 | |
| 319 | V | A | 0.3839 | |
| 320 | E | A | -1.0009 | |
| 321 | V | A | -0.7704 | |
| 322 | H | A | -1.9727 | |
| 323 | N | A | -2.1862 | |
| 324 | A | A | -1.8699 | |
| 325 | K | A | -2.4226 | |
| 326 | T | A | -1.9062 | |
| 327 | K | A | -2.2041 | |
| 328 | P | A | -2.1747 | |
| 329 | R | A | -3.0920 | |
| 330 | E | A | -2.6557 | |
| 331 | E | A | -2.8057 | |
| 332 | Q | A | 0.0000 | |
| 333 | Y | A | -0.3342 | |
| 334 | N | A | -0.7769 | |
| 335 | S | A | -0.9404 | |
| 336 | T | A | -1.6391 | |
| 337 | Y | A | 0.0000 | |
| 338 | R | A | -1.8963 | |
| 339 | V | A | 0.0000 | |
| 340 | V | A | -0.8792 | |
| 341 | S | A | 0.0000 | |
| 342 | V | A | 0.0000 | |
| 343 | L | A | 0.0000 | |
| 344 | T | A | -0.5716 | |
| 345 | V | A | 0.0964 | |
| 346 | L | A | 0.8794 | |
| 347 | H | A | -0.0245 | |
| 348 | Q | A | -1.0668 | |
| 349 | D | A | -1.4316 | |
| 350 | W | A | 0.0000 | |
| 351 | L | A | -0.9125 | |
| 352 | N | A | -2.1855 | |
| 353 | G | A | -2.0578 | |
| 354 | K | A | -2.4375 | |
| 355 | E | A | -2.4687 | |
| 356 | Y | A | 0.0000 | |
| 357 | K | A | -1.7404 | |
| 358 | C | A | 0.0000 | |
| 359 | K | A | -1.5873 | |
| 360 | V | A | 0.0000 | |
| 361 | S | A | -1.4359 | |
| 362 | N | A | 0.0000 | |
| 363 | K | A | -2.5751 | |
| 364 | A | A | -1.0550 | |
| 365 | L | A | -0.3728 | |
| 366 | P | A | -0.2520 | |
| 367 | A | A | -0.4075 | |
| 368 | P | A | -0.9069 | |
| 369 | I | A | -0.7086 | |
| 370 | E | A | -2.1601 | |
| 371 | K | A | -1.4949 | |
| 372 | T | A | -1.1183 | |
| 373 | I | A | -0.5045 | |
| 374 | S | A | -1.3680 | |
| 375 | K | A | -1.3192 | |
| 376 | A | A | -1.1772 | |
| 377 | K | A | -2.3393 | |
| 378 | G | A | -1.9601 | |
| 379 | Q | A | -2.0919 | |
| 380 | P | A | -1.6700 | |
| 381 | R | A | -1.9540 | |
| 382 | E | A | -2.4795 | |
| 383 | P | A | 0.0000 | |
| 384 | Q | A | -1.2482 | |
| 385 | V | A | 0.0000 | |
| 386 | Y | A | 0.6769 | |
| 387 | T | A | 0.4105 | |
| 388 | L | A | 0.6305 | |
| 389 | P | A | -0.2074 | |
| 390 | P | A | -1.0087 | |
| 391 | S | A | -1.7638 | |
| 392 | R | A | -3.0851 | |
| 393 | E | A | -3.1959 | |
| 394 | E | A | -2.8015 | |
| 395 | M | A | -2.3520 | |
| 396 | T | A | -2.2086 | |
| 397 | K | A | -3.3227 | |
| 398 | N | A | -2.8915 | |
| 399 | Q | A | -2.5953 | |
| 400 | V | A | 0.0000 | |
| 401 | S | A | -0.6909 | |
| 402 | L | A | 0.0000 | |
| 403 | T | A | 0.0312 | |
| 404 | C | A | 0.0000 | |
| 405 | L | A | 0.5827 | |
| 406 | V | A | 0.0000 | |
| 407 | K | A | -0.4423 | |
| 408 | G | A | -1.1595 | |
| 409 | F | A | 0.0000 | |
| 410 | Y | A | -0.9713 | |
| 411 | P | A | 0.0000 | |
| 412 | S | A | -0.0014 | |
| 413 | D | A | -0.9301 | |
| 414 | I | A | -0.4109 | |
| 415 | A | A | -0.3786 | |
| 416 | V | A | 0.0000 | |
| 417 | E | A | -0.9884 | |
| 418 | W | A | 0.0000 | |
| 419 | E | A | -1.6091 | |
| 420 | S | A | 0.0000 | |
| 421 | N | A | -1.7991 | |
| 422 | G | A | -1.7191 | |
| 423 | Q | A | -2.2221 | |
| 424 | P | A | -1.9092 | |
| 425 | E | A | -1.9237 | |
| 426 | N | A | -2.3125 | |
| 427 | N | A | -2.1520 | |
| 428 | Y | A | -1.6857 | |
| 429 | K | A | -1.6939 | |
| 430 | T | A | -0.2800 | |
| 431 | T | A | 0.2005 | |
| 432 | P | A | 0.2619 | |
| 433 | P | A | 0.6053 | |
| 434 | V | A | 1.4227 | |
| 435 | L | A | 1.3314 | |
| 436 | D | A | -0.0614 | |
| 437 | S | A | -0.8498 | |
| 438 | D | A | -1.8755 | |
| 439 | G | A | -0.6995 | |
| 440 | S | A | 0.0000 | |
| 441 | F | A | 0.0000 | |
| 442 | F | A | 0.9019 | |
| 443 | L | A | 0.0000 | |
| 444 | Y | A | 0.6451 | |
| 445 | S | A | 0.0000 | |
| 446 | K | A | -1.2469 | |
| 447 | L | A | 0.0000 | |
| 448 | T | A | -1.3049 | |
| 449 | V | A | 0.0000 | |
| 450 | D | A | -2.2973 | |
| 451 | K | A | -2.5973 | |
| 452 | S | A | -2.0947 | |
| 453 | R | A | -1.9749 | |
| 454 | W | A | 0.0000 | |
| 455 | Q | A | -2.2545 | |
| 456 | Q | A | -2.1270 | |
| 457 | G | A | -1.2748 | |
| 458 | N | A | -0.9530 | |
| 459 | V | A | -0.0389 | |
| 460 | F | A | 0.0000 | |
| 461 | S | A | 0.0000 | |
| 462 | C | A | 0.0000 | |
| 463 | S | A | 0.0000 | |
| 464 | V | A | 0.0000 | |
| 465 | M | A | -0.0007 | |
| 466 | H | A | 0.0000 | |
| 467 | E | A | -0.7003 | |
| 468 | A | A | -1.1409 | |
| 469 | L | A | -0.9808 | |
| 470 | H | A | -1.1336 | |
| 471 | S | A | -0.4499 | |
| 472 | H | A | -0.3661 | |
| 473 | Y | A | 0.3352 | |
| 474 | T | A | -0.5010 | |
| 475 | Q | A | -0.7808 | |
| 476 | K | A | -1.1029 | |
| 477 | S | A | -0.3724 | |
| 478 | L | A | 0.1971 | |
| 479 | S | A | -0.0875 | |
| 480 | L | A | -0.3926 | |
| 481 | S | A | -0.7101 | |
| 482 | P | A | -1.0489 | |
| 483 | G | A | -1.4293 | |
| 484 | K | A | -2.0164 |
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