| Chain sequence(s) |
A: AETVESCLAKPHTENSFTNVWKEGDSRYANYEGCLWNAGGVVVCTGDETQCYGHWVPIGLAIPENEGGGSEGGGSEGGGSEGGGTKPPEYGDTPIPGYTYINPLDGTYPPGTEQNPANPNPSLEESQPLNTFMFQGNRFRNRQGALTVYTGTFTQGTDPVKTYYQYTPVSSRAMYDAYWNGKFRDCAFHSGFNEDPFVCEYQGQSSDLPQPPANAGGESGGGSGGGSEGGGSEGGGSEGGGSEGGGSGGGSGSGARSDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHSHYTQKSLSLSPGK
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Mutated residues | ML133A |
| Energy difference between WT (input) and mutated protein (by FoldX) | -0.439318 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 (00:02:55)
[INFO] FoldX: Starting FoldX energy minimalization (00:03:04)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:05:06)
[INFO] Main: Simulation completed successfully. (00:05:09)
|
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 | -0.6067 | |
| 2 | E | A | -1.1038 | |
| 3 | T | A | -0.1678 | |
| 4 | V | A | 0.8860 | |
| 5 | E | A | -0.7764 | |
| 6 | S | A | -0.4534 | |
| 7 | C | A | 0.0000 | |
| 8 | L | A | 1.3592 | |
| 9 | A | A | 0.0845 | |
| 10 | K | A | -0.6536 | |
| 11 | P | A | -0.8469 | |
| 12 | H | A | -1.5018 | |
| 13 | T | A | -1.6525 | |
| 14 | E | A | -2.4433 | |
| 15 | N | A | -1.4897 | |
| 16 | S | A | 0.0000 | |
| 17 | F | A | 0.0000 | |
| 18 | T | A | 0.0000 | |
| 19 | N | A | -1.4482 | |
| 20 | V | A | -0.5695 | |
| 21 | W | A | -1.1853 | |
| 22 | K | A | -1.8733 | |
| 23 | E | A | -2.5797 | |
| 24 | G | A | -1.8450 | |
| 25 | D | A | -1.7381 | |
| 26 | S | A | -1.3549 | |
| 27 | R | A | 0.0000 | |
| 28 | Y | A | -0.2611 | |
| 29 | A | A | 0.0000 | |
| 30 | N | A | -0.7103 | |
| 31 | Y | A | -1.0082 | |
| 32 | E | A | -2.0100 | |
| 33 | G | A | -0.8881 | |
| 34 | C | A | 0.0000 | |
| 35 | L | A | 0.0000 | |
| 36 | W | A | 0.0000 | |
| 37 | N | A | -0.0812 | |
| 38 | A | A | -0.3629 | |
| 39 | G | A | -0.3923 | |
| 40 | G | A | -0.0339 | |
| 41 | V | A | 1.4605 | |
| 42 | V | A | 0.0000 | |
| 43 | V | A | 0.0000 | |
| 44 | C | A | 0.0000 | |
| 45 | T | A | -1.0521 | |
| 46 | G | A | -1.4737 | |
| 47 | D | A | -2.2576 | |
| 48 | E | A | -1.5437 | |
| 49 | T | A | -1.2437 | |
| 50 | Q | A | -0.7332 | |
| 51 | C | A | 0.0000 | |
| 52 | Y | A | -0.3406 | |
| 53 | G | A | 0.0000 | |
| 54 | H | A | -1.3420 | |
| 55 | W | A | 0.0000 | |
| 56 | V | A | 0.0634 | |
| 57 | P | A | 0.0000 | |
| 58 | I | A | 1.6054 | |
| 59 | G | A | 1.4110 | |
| 60 | L | A | 1.2446 | |
| 61 | A | A | 0.6814 | |
| 62 | I | A | 0.8148 | |
| 63 | P | A | -1.0011 | |
| 64 | E | A | -2.9490 | |
| 65 | N | A | -3.1388 | |
| 66 | E | A | -3.3192 | |
| 67 | G | A | -2.6455 | |
| 68 | G | A | -2.3961 | |
| 69 | G | A | -1.7281 | |
| 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 | -1.8800 | |
| 88 | P | A | -1.7237 | |
| 89 | E | A | -2.4733 | |
| 90 | Y | A | -1.4099 | |
| 91 | G | A | -1.7315 | |
| 92 | D | A | -2.2772 | |
| 93 | T | A | -1.3229 | |
| 94 | P | A | -1.2288 | |
| 95 | I | A | -0.7764 | |
| 96 | P | A | -0.8675 | |
| 97 | G | A | 0.0000 | |
| 98 | Y | A | -0.4595 | |
| 99 | T | A | 0.0387 | |
| 100 | Y | A | 0.3476 | |
| 101 | I | A | -0.0996 | |
| 102 | N | A | -0.7181 | |
| 103 | P | A | 0.0000 | |
| 104 | L | A | -0.7158 | |
| 105 | D | A | -1.5294 | |
| 106 | G | A | -1.1460 | |
| 107 | T | A | -1.0502 | |
| 108 | Y | A | -1.3190 | |
| 109 | P | A | -1.3043 | |
| 110 | P | A | -1.5042 | |
| 111 | G | A | -1.8262 | |
| 112 | T | A | -1.8105 | |
| 113 | E | A | -2.1631 | |
| 114 | Q | A | -2.0207 | |
| 115 | N | A | 0.0000 | |
| 116 | P | A | -1.8147 | |
| 117 | A | A | 0.0000 | |
| 118 | N | A | -2.0165 | |
| 119 | P | A | -1.7166 | |
| 120 | N | A | -1.8463 | |
| 121 | P | A | -0.9447 | |
| 122 | S | A | -0.3934 | |
| 123 | L | A | 0.0983 | |
| 124 | E | A | -0.9115 | |
| 125 | E | A | -1.9197 | |
| 126 | S | A | -1.3371 | |
| 127 | Q | A | -1.1995 | |
| 128 | P | A | -0.7453 | |
| 129 | L | A | -0.4309 | |
| 130 | N | A | -0.7960 | |
| 131 | T | A | 0.0000 | |
| 132 | F | A | 0.0000 | |
| 133 | L | A | 0.3571 | mutated: ML133A |
| 134 | F | A | 0.0000 | |
| 135 | Q | A | 0.0000 | |
| 136 | G | A | -0.7870 | |
| 137 | N | A | 0.0000 | |
| 138 | R | A | -0.0108 | |
| 139 | F | A | 0.0000 | |
| 140 | R | A | -0.5559 | |
| 141 | N | A | -0.9507 | |
| 142 | R | A | -1.2720 | |
| 143 | Q | A | -1.1048 | |
| 144 | G | A | -0.6817 | |
| 145 | A | A | -0.8251 | |
| 146 | L | A | 0.0000 | |
| 147 | T | A | 0.0000 | |
| 148 | V | A | 0.0000 | |
| 149 | Y | A | 0.0169 | |
| 150 | T | A | -0.3138 | |
| 151 | G | A | -0.0768 | |
| 152 | T | A | 0.5376 | |
| 153 | F | A | 0.9342 | |
| 154 | T | A | 0.3149 | |
| 155 | Q | A | -1.0487 | |
| 156 | G | A | -1.1849 | |
| 157 | T | A | -0.9725 | |
| 158 | D | A | -1.7619 | |
| 159 | P | A | -0.9690 | |
| 160 | V | A | 0.1698 | |
| 161 | K | A | -0.7921 | |
| 162 | T | A | -0.2279 | |
| 163 | Y | A | -0.2207 | |
| 164 | Y | A | 0.0167 | |
| 165 | Q | A | 0.0713 | |
| 166 | Y | A | 0.0000 | |
| 167 | T | A | -0.4022 | |
| 168 | P | A | 0.0000 | |
| 169 | V | A | 0.0000 | |
| 170 | S | A | -0.8423 | |
| 171 | S | A | 0.0000 | |
| 172 | R | A | -2.3101 | |
| 173 | A | A | -1.3623 | |
| 174 | M | A | 0.0000 | |
| 175 | Y | A | 0.0000 | |
| 176 | D | A | -2.0668 | |
| 177 | A | A | 0.0000 | |
| 178 | Y | A | 0.0000 | |
| 179 | W | A | -0.9346 | |
| 180 | N | A | -1.8015 | |
| 181 | G | A | -1.4112 | |
| 182 | K | A | -1.9286 | |
| 183 | F | A | 0.0000 | |
| 184 | R | A | -1.5210 | |
| 185 | D | A | -1.1650 | |
| 186 | C | A | 0.0000 | |
| 187 | A | A | 0.0000 | |
| 188 | F | A | -0.2199 | |
| 189 | H | A | -0.3303 | |
| 190 | S | A | -0.0937 | |
| 191 | G | A | 0.0633 | |
| 192 | F | A | 0.9533 | |
| 193 | N | A | -0.8596 | |
| 194 | E | A | -2.2617 | |
| 195 | D | A | -2.3228 | |
| 196 | P | A | -0.9216 | |
| 197 | F | A | -0.0476 | |
| 198 | V | A | 1.1380 | |
| 199 | C | A | 0.0000 | |
| 200 | E | A | -1.0473 | |
| 201 | Y | A | -0.7502 | |
| 202 | Q | A | -0.6457 | |
| 203 | G | A | 0.0000 | |
| 204 | Q | A | -1.1168 | |
| 205 | S | A | -1.0490 | |
| 206 | S | A | -1.1966 | |
| 207 | D | A | -1.8159 | |
| 208 | L | A | 0.0000 | |
| 209 | P | A | -1.0618 | |
| 210 | Q | A | -1.2338 | |
| 211 | P | A | -1.2479 | |
| 212 | P | A | 0.0000 | |
| 213 | A | A | -0.6171 | |
| 214 | N | A | -1.1310 | |
| 215 | A | A | -1.1401 | |
| 216 | G | A | -1.3730 | |
| 217 | G | A | -1.9052 | |
| 218 | E | A | -2.7306 | |
| 219 | S | A | -1.8621 | |
| 220 | G | A | -1.5941 | |
| 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 | -0.2959 | |
| 269 | P | A | -0.3593 | |
| 270 | E | A | -1.0829 | |
| 271 | L | A | 0.7529 | |
| 272 | L | A | 0.8034 | |
| 273 | G | A | -0.4352 | |
| 274 | G | A | -0.0339 | |
| 275 | P | A | 0.0000 | |
| 276 | S | A | -0.1750 | |
| 277 | V | A | 0.0000 | |
| 278 | F | A | 0.0000 | |
| 279 | L | A | 0.0000 | |
| 280 | F | A | -0.1809 | |
| 281 | P | A | -0.5966 | |
| 282 | P | A | 0.0000 | |
| 283 | K | A | -1.6808 | |
| 284 | P | A | -1.0088 | |
| 285 | K | A | -0.7216 | |
| 286 | D | A | -0.8396 | |
| 287 | T | A | 0.0000 | |
| 288 | L | A | 0.1582 | |
| 289 | M | A | 0.8700 | |
| 290 | I | A | 1.7196 | |
| 291 | S | A | 0.3564 | |
| 292 | R | A | -0.5926 | |
| 293 | T | A | -0.3565 | |
| 294 | P | A | 0.0000 | |
| 295 | E | A | -0.8826 | |
| 296 | V | A | 0.0000 | |
| 297 | T | A | -0.2351 | |
| 298 | C | A | 0.0000 | |
| 299 | V | A | 0.2108 | |
| 300 | V | A | 0.0000 | |
| 301 | V | A | 0.0000 | |
| 302 | D | A | -1.3288 | |
| 303 | V | A | 0.0000 | |
| 304 | S | A | -2.0246 | |
| 305 | H | A | -2.5892 | |
| 306 | E | A | -2.9609 | |
| 307 | D | A | -2.5963 | |
| 308 | P | A | -2.6662 | |
| 309 | E | A | -3.1266 | |
| 310 | V | A | -1.9509 | |
| 311 | K | A | -2.2328 | |
| 312 | F | A | -1.1744 | |
| 313 | N | A | -1.2807 | |
| 314 | W | A | 0.0000 | |
| 315 | Y | A | -0.8503 | |
| 316 | V | A | -1.0388 | |
| 317 | D | A | -2.3032 | |
| 318 | G | A | -1.0274 | |
| 319 | V | A | 0.3851 | |
| 320 | E | A | -0.9950 | |
| 321 | V | A | -0.7573 | |
| 322 | H | A | -1.9661 | |
| 323 | N | A | -2.1821 | |
| 324 | A | A | -1.8633 | |
| 325 | K | A | -2.4223 | |
| 326 | T | A | -1.9062 | |
| 327 | K | A | -2.2047 | |
| 328 | P | A | -2.1755 | |
| 329 | R | A | -3.0938 | |
| 330 | E | A | -2.6593 | |
| 331 | E | A | -2.8103 | |
| 332 | Q | A | 0.0000 | |
| 333 | Y | A | -0.3450 | |
| 334 | N | A | -0.7824 | |
| 335 | S | A | -0.9453 | |
| 336 | T | A | -1.6431 | |
| 337 | Y | A | 0.0000 | |
| 338 | R | A | -1.9007 | |
| 339 | V | A | 0.0000 | |
| 340 | V | A | -0.8806 | |
| 341 | S | A | 0.0000 | |
| 342 | V | A | 0.0000 | |
| 343 | L | A | 0.0000 | |
| 344 | T | A | -0.5611 | |
| 345 | V | A | 0.0943 | |
| 346 | L | A | 0.8593 | |
| 347 | H | A | 0.0000 | |
| 348 | Q | A | -1.0577 | |
| 349 | D | A | -1.4356 | |
| 350 | W | A | 0.0000 | |
| 351 | L | A | -0.8997 | |
| 352 | N | A | -2.1777 | |
| 353 | G | A | -2.0638 | |
| 354 | K | A | -2.4476 | |
| 355 | E | A | -2.4848 | |
| 356 | Y | A | 0.0000 | |
| 357 | K | A | -1.7454 | |
| 358 | C | A | 0.0000 | |
| 359 | K | A | -1.5846 | |
| 360 | V | A | 0.0000 | |
| 361 | S | A | -1.4347 | |
| 362 | N | A | 0.0000 | |
| 363 | K | A | -2.5758 | |
| 364 | A | A | -1.0568 | |
| 365 | L | A | -0.3741 | |
| 366 | P | A | -0.2531 | |
| 367 | A | A | -0.4065 | |
| 368 | P | A | -0.9046 | |
| 369 | I | A | -0.7041 | |
| 370 | E | A | -2.1518 | |
| 371 | K | A | -1.4916 | |
| 372 | T | A | -1.1212 | |
| 373 | I | A | -0.5088 | |
| 374 | S | A | -1.3724 | |
| 375 | K | A | -1.3169 | |
| 376 | A | A | -1.1746 | |
| 377 | K | A | -2.3386 | |
| 378 | G | A | -1.9632 | |
| 379 | Q | A | -2.0979 | |
| 380 | P | A | -1.6815 | |
| 381 | R | A | -1.9801 | |
| 382 | E | A | -2.4862 | |
| 383 | P | A | 0.0000 | |
| 384 | Q | A | -1.2500 | |
| 385 | V | A | 0.0000 | |
| 386 | Y | A | 0.6753 | |
| 387 | T | A | 0.4079 | |
| 388 | L | A | 0.6244 | |
| 389 | P | A | -0.2099 | |
| 390 | P | A | -1.0103 | |
| 391 | S | A | -1.7655 | |
| 392 | R | A | -3.0864 | |
| 393 | E | A | -3.1972 | |
| 394 | E | A | -2.8030 | |
| 395 | M | A | -2.3579 | |
| 396 | T | A | -2.2101 | |
| 397 | K | A | -3.3235 | |
| 398 | N | A | -2.8915 | |
| 399 | Q | A | -2.5951 | |
| 400 | V | A | 0.0000 | |
| 401 | S | A | -0.6898 | |
| 402 | L | A | 0.0000 | |
| 403 | T | A | 0.0311 | |
| 404 | C | A | 0.0000 | |
| 405 | L | A | 0.5822 | |
| 406 | V | A | 0.0000 | |
| 407 | K | A | -0.4442 | |
| 408 | G | A | -1.1650 | |
| 409 | F | A | 0.0000 | |
| 410 | Y | A | -0.9792 | |
| 411 | P | A | 0.0000 | |
| 412 | S | A | 0.0015 | |
| 413 | D | A | -0.9220 | |
| 414 | I | A | -0.4070 | |
| 415 | A | A | -0.3781 | |
| 416 | V | A | 0.0000 | |
| 417 | E | A | -0.9995 | |
| 418 | W | A | 0.0000 | |
| 419 | E | A | -1.6220 | |
| 420 | S | A | 0.0000 | |
| 421 | N | A | -1.8018 | |
| 422 | G | A | -1.7223 | |
| 423 | Q | A | -2.2259 | |
| 424 | P | A | -1.9158 | |
| 425 | E | A | -1.9287 | |
| 426 | N | A | -2.3149 | |
| 427 | N | A | -2.1504 | |
| 428 | Y | A | -1.6849 | |
| 429 | K | A | -1.6952 | |
| 430 | T | A | -0.2818 | |
| 431 | T | A | 0.1973 | |
| 432 | P | A | 0.2574 | |
| 433 | P | A | 0.6035 | |
| 434 | V | A | 1.4194 | |
| 435 | L | A | 1.3286 | |
| 436 | D | A | -0.0629 | |
| 437 | S | A | -0.8513 | |
| 438 | D | A | -1.8779 | |
| 439 | G | A | -0.7044 | |
| 440 | S | A | 0.0000 | |
| 441 | F | A | 0.0000 | |
| 442 | F | A | 0.9021 | |
| 443 | L | A | 0.0000 | |
| 444 | Y | A | 0.6460 | |
| 445 | S | A | 0.0000 | |
| 446 | K | A | -1.2419 | |
| 447 | L | A | 0.0000 | |
| 448 | T | A | -1.3028 | |
| 449 | V | A | 0.0000 | |
| 450 | D | A | -2.2993 | |
| 451 | K | A | -2.6023 | |
| 452 | S | A | -2.1018 | |
| 453 | R | A | -1.9813 | |
| 454 | W | A | 0.0000 | |
| 455 | Q | A | -2.2764 | |
| 456 | Q | A | -2.1371 | |
| 457 | G | A | -1.2810 | |
| 458 | N | A | -0.9566 | |
| 459 | V | A | -0.0398 | |
| 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 | -0.0009 | |
| 466 | H | A | 0.0000 | |
| 467 | E | A | -0.7025 | |
| 468 | A | A | -1.1477 | |
| 469 | L | A | -0.9848 | |
| 470 | H | A | -1.1334 | |
| 471 | S | A | -0.4503 | |
| 472 | H | A | -0.3657 | |
| 473 | Y | A | 0.3350 | |
| 474 | T | A | -0.5005 | |
| 475 | Q | A | -0.7829 | |
| 476 | K | A | -1.1029 | |
| 477 | S | A | -0.3745 | |
| 478 | L | A | 0.1969 | |
| 479 | S | A | -0.0892 | |
| 480 | L | A | -0.3942 | |
| 481 | S | A | -0.7106 | |
| 482 | P | A | -1.0502 | |
| 483 | G | A | -1.4287 | |
| 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