| Chain sequence(s) |
A: MAEVQDEGFPAGDSVNRSSRATKRTRMSQKLTCTSRKRARVDIGLAYERWREVKATEGLRSDAEVAQCLLDEMKRLPSTPTSSGANHKKIKVSQSEVQTLIEQEVHSAVKTNETKLQCLIETIENLDRGVDFECTIQKLETRINTLTKRTEAALAHMTKTQKKSQHPSPVNVDIIRIDSEDEAVETVSQSKESMDRTGKSGEFLQVMETTKEEMMKMRADNEAWEAAMEDLREISAPPVPTPQGSPECNKNVDKSRTTEEPEAATMRVESPSSGRDNIPKHTGSGQRNVKLLYPPLPSTTVPSVLDSEAASFNIPQGPEVHLALIRDPPGLSVLWKVVEEDPCAPPMDSYSIFMTSEKVKGSGVFRKWKMLGEVKAITLPMCVMVTKYKPGHKVCVAVVGKDTFGRWGPYSKVVTAAIPASLG
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] (00:00:00)
[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] Analysis: Starting Aggrescan3D on folded.pdb (00:06:20)
[INFO] Main: Simulation completed successfully. (00:06:23)
|
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 | M | A | 0.7496 | |
| 2 | A | A | -0.0119 | |
| 3 | E | A | -0.9714 | |
| 4 | V | A | -0.0140 | |
| 5 | Q | A | -1.9057 | |
| 6 | D | A | -2.9908 | |
| 7 | E | A | -2.6898 | |
| 8 | G | A | -0.8319 | |
| 9 | F | A | 1.1758 | |
| 10 | P | A | 0.5650 | |
| 11 | A | A | -0.2581 | |
| 12 | G | A | -1.4301 | |
| 13 | D | A | -1.7356 | |
| 14 | S | A | -0.5729 | |
| 15 | V | A | 0.2943 | |
| 16 | N | A | -1.4398 | |
| 17 | R | A | -2.5552 | |
| 18 | S | A | -2.1886 | |
| 19 | S | A | -2.0498 | |
| 20 | R | A | -2.9469 | |
| 21 | A | A | -2.2328 | |
| 22 | T | A | -2.3901 | |
| 23 | K | A | -3.4670 | |
| 24 | R | A | -3.6614 | |
| 25 | T | A | -2.5631 | |
| 26 | R | A | -3.2885 | |
| 27 | M | A | -1.7482 | |
| 28 | S | A | -1.5470 | |
| 29 | Q | A | -2.2088 | |
| 30 | K | A | -2.1049 | |
| 31 | L | A | -0.1765 | |
| 32 | T | A | -1.3149 | |
| 33 | C | A | -1.8752 | |
| 34 | T | A | -1.8161 | |
| 35 | S | A | -2.3249 | |
| 36 | R | A | -3.6607 | |
| 37 | K | A | -3.6854 | |
| 38 | R | A | -3.5432 | |
| 39 | A | A | -2.6859 | |
| 40 | R | A | -2.9000 | |
| 41 | V | A | -0.4467 | |
| 42 | D | A | -1.0197 | |
| 43 | I | A | -0.1878 | |
| 44 | G | A | 0.1625 | |
| 45 | L | A | 0.5079 | |
| 46 | A | A | -0.7243 | |
| 47 | Y | A | -1.0629 | |
| 48 | E | A | -3.0555 | |
| 49 | R | A | -3.2886 | |
| 50 | W | A | -2.5436 | |
| 51 | R | A | -4.0922 | |
| 52 | E | A | -3.9818 | |
| 53 | V | A | -2.6592 | |
| 54 | K | A | -3.3867 | |
| 55 | A | A | -2.3554 | |
| 56 | T | A | -1.7981 | |
| 57 | E | A | -2.7469 | |
| 58 | G | A | -2.0385 | |
| 59 | L | A | -2.2301 | |
| 60 | R | A | -2.6677 | |
| 61 | S | A | -2.0553 | |
| 62 | D | A | -2.6986 | |
| 63 | A | A | -1.6030 | |
| 64 | E | A | -1.8902 | |
| 65 | V | A | 0.0000 | |
| 66 | A | A | -0.9954 | |
| 67 | Q | A | -1.2661 | |
| 68 | C | A | -1.0847 | |
| 69 | L | A | -0.4794 | |
| 70 | L | A | -0.1880 | |
| 71 | D | A | -1.5262 | |
| 72 | E | A | -2.0157 | |
| 73 | M | A | -0.5533 | |
| 74 | K | A | -2.0408 | |
| 75 | R | A | -2.2641 | |
| 76 | L | A | -0.1747 | |
| 77 | P | A | -0.5626 | |
| 78 | S | A | -0.4275 | |
| 79 | T | A | -0.1763 | |
| 80 | P | A | -0.4537 | |
| 81 | T | A | -0.3887 | |
| 82 | S | A | -0.5141 | |
| 83 | S | A | -0.7089 | |
| 84 | G | A | -1.0605 | |
| 85 | A | A | -1.2636 | |
| 86 | N | A | -2.6406 | |
| 87 | H | A | -2.7037 | |
| 88 | K | A | -3.0317 | |
| 89 | K | A | -2.4980 | |
| 90 | I | A | -0.1009 | |
| 91 | K | A | -1.6214 | |
| 92 | V | A | -0.4417 | |
| 93 | S | A | -1.2293 | |
| 94 | Q | A | -1.9607 | |
| 95 | S | A | -1.3470 | |
| 96 | E | A | -1.9075 | |
| 97 | V | A | -0.4491 | |
| 98 | Q | A | -1.3678 | |
| 99 | T | A | -1.0828 | |
| 100 | L | A | 0.0062 | |
| 101 | I | A | -0.0471 | |
| 102 | E | A | -1.8094 | |
| 103 | Q | A | -1.8148 | |
| 104 | E | A | -1.8104 | |
| 105 | V | A | -0.2308 | |
| 106 | H | A | -1.5812 | |
| 107 | S | A | -1.7528 | |
| 108 | A | A | -1.1484 | |
| 109 | V | A | -0.9665 | |
| 110 | K | A | -2.5300 | |
| 111 | T | A | -2.0128 | |
| 112 | N | A | -2.5685 | |
| 113 | E | A | -2.9344 | |
| 114 | T | A | -2.0137 | |
| 115 | K | A | -2.1360 | |
| 116 | L | A | -0.8424 | |
| 117 | Q | A | -1.0434 | |
| 118 | C | A | -0.1314 | |
| 119 | L | A | 0.8172 | |
| 120 | I | A | 0.8518 | |
| 121 | E | A | -1.0145 | |
| 122 | T | A | -0.0669 | |
| 123 | I | A | 0.1376 | |
| 124 | E | A | -2.1240 | |
| 125 | N | A | -1.5899 | |
| 126 | L | A | -0.4207 | |
| 127 | D | A | -2.4019 | |
| 128 | R | A | -2.6239 | |
| 129 | G | A | -0.8961 | |
| 130 | V | A | 0.4259 | |
| 131 | D | A | -1.3011 | |
| 132 | F | A | 0.1040 | |
| 133 | E | A | -1.3656 | |
| 134 | C | A | -1.0044 | |
| 135 | T | A | -0.5637 | |
| 136 | I | A | -1.1051 | |
| 137 | Q | A | -2.2871 | |
| 138 | K | A | -2.0282 | |
| 139 | L | A | -1.1872 | |
| 140 | E | A | -2.0323 | |
| 141 | T | A | -1.8175 | |
| 142 | R | A | -1.7241 | |
| 143 | I | A | -0.4189 | |
| 144 | N | A | -1.4310 | |
| 145 | T | A | -1.2688 | |
| 146 | L | A | -0.3505 | |
| 147 | T | A | -1.3331 | |
| 148 | K | A | -2.4626 | |
| 149 | R | A | -2.4519 | |
| 150 | T | A | -1.7997 | |
| 151 | E | A | -2.3481 | |
| 152 | A | A | -1.5117 | |
| 153 | A | A | -0.9371 | |
| 154 | L | A | -0.0769 | |
| 155 | A | A | -0.7294 | |
| 156 | H | A | -1.1701 | |
| 157 | M | A | -0.4050 | |
| 158 | T | A | -1.3446 | |
| 159 | K | A | -2.6915 | |
| 160 | T | A | -2.3740 | |
| 161 | Q | A | -3.3130 | |
| 162 | K | A | -4.1582 | |
| 163 | K | A | -3.8464 | |
| 164 | S | A | -3.0522 | |
| 165 | Q | A | -3.4243 | |
| 166 | H | A | -2.6658 | |
| 167 | P | A | -1.1771 | |
| 168 | S | A | -0.4545 | |
| 169 | P | A | 0.1569 | |
| 170 | V | A | 1.3501 | |
| 171 | N | A | 0.2193 | |
| 172 | V | A | 1.0211 | |
| 173 | D | A | 0.3273 | |
| 174 | I | A | 1.9101 | |
| 175 | I | A | 2.0962 | |
| 176 | R | A | 0.3208 | |
| 177 | I | A | 0.5996 | |
| 178 | D | A | -1.6643 | |
| 179 | S | A | -1.9133 | |
| 180 | E | A | -3.5495 | |
| 181 | D | A | -3.6672 | |
| 182 | E | A | -2.8837 | |
| 183 | A | A | -0.8243 | |
| 184 | V | A | 0.6496 | |
| 185 | E | A | -0.7456 | |
| 186 | T | A | 0.2537 | |
| 187 | V | A | 1.0761 | |
| 188 | S | A | -0.4095 | |
| 189 | Q | A | -1.8911 | |
| 190 | S | A | -2.0285 | |
| 191 | K | A | -3.1694 | |
| 192 | E | A | -3.3684 | |
| 193 | S | A | -2.0143 | |
| 194 | M | A | -1.3459 | |
| 195 | D | A | -3.3831 | |
| 196 | R | A | -3.4984 | |
| 197 | T | A | -2.4161 | |
| 198 | G | A | -2.6647 | |
| 199 | K | A | -3.1796 | |
| 200 | S | A | -1.5836 | |
| 201 | G | A | -1.3212 | |
| 202 | E | A | -1.5280 | |
| 203 | F | A | 1.0147 | |
| 204 | L | A | 0.8269 | |
| 205 | Q | A | -0.7244 | |
| 206 | V | A | 0.8761 | |
| 207 | M | A | -0.2616 | |
| 208 | E | A | -2.1974 | |
| 209 | T | A | -1.5924 | |
| 210 | T | A | -2.0305 | |
| 211 | K | A | -3.3468 | |
| 212 | E | A | -3.8431 | |
| 213 | E | A | -3.7186 | |
| 214 | M | A | -2.4987 | |
| 215 | M | A | -2.1604 | |
| 216 | K | A | -3.6570 | |
| 217 | M | A | -2.9863 | |
| 218 | R | A | -3.5272 | |
| 219 | A | A | -3.1083 | |
| 220 | D | A | -3.6013 | |
| 221 | N | A | -3.7483 | |
| 222 | E | A | -3.8225 | |
| 223 | A | A | -2.2321 | |
| 224 | W | A | -1.7745 | |
| 225 | E | A | -2.9604 | |
| 226 | A | A | -2.3126 | |
| 227 | A | A | -1.7027 | |
| 228 | M | A | -1.7721 | |
| 229 | E | A | -3.3078 | |
| 230 | D | A | -2.7695 | |
| 231 | L | A | -0.8417 | |
| 232 | R | A | -2.5978 | |
| 233 | E | A | -2.4813 | |
| 234 | I | A | 0.3040 | |
| 235 | S | A | -0.5593 | |
| 236 | A | A | -0.0971 | |
| 237 | P | A | 0.1652 | |
| 238 | P | A | 0.4004 | |
| 239 | V | A | 1.4163 | |
| 240 | P | A | 0.2079 | |
| 241 | T | A | -0.2214 | |
| 242 | P | A | -0.8315 | |
| 243 | Q | A | -1.6477 | |
| 244 | G | A | -1.2876 | |
| 245 | S | A | -1.2180 | |
| 246 | P | A | -1.3941 | |
| 247 | E | A | -2.1116 | |
| 248 | C | A | -1.2696 | |
| 249 | N | A | -2.3609 | |
| 250 | K | A | -2.8396 | |
| 251 | N | A | -1.9576 | |
| 252 | V | A | -0.8264 | |
| 253 | D | A | -2.2434 | |
| 254 | K | A | -2.7762 | |
| 255 | S | A | -2.3517 | |
| 256 | R | A | -2.3918 | |
| 257 | T | A | -1.4921 | |
| 258 | T | A | -1.8170 | |
| 259 | E | A | -2.8256 | |
| 260 | E | A | -3.2137 | |
| 261 | P | A | -2.4194 | |
| 262 | E | A | -2.2536 | |
| 263 | A | A | -0.8833 | |
| 264 | A | A | -0.1000 | |
| 265 | T | A | 0.1400 | |
| 266 | M | A | 0.4668 | |
| 267 | R | A | -0.8144 | |
| 268 | V | A | 0.1041 | |
| 269 | E | A | -1.4589 | |
| 270 | S | A | -0.9100 | |
| 271 | P | A | -0.8902 | |
| 272 | S | A | -0.5826 | |
| 273 | S | A | -1.0044 | |
| 274 | G | A | -1.9048 | |
| 275 | R | A | -3.3188 | |
| 276 | D | A | -3.0367 | |
| 277 | N | A | -1.5907 | |
| 278 | I | A | 0.5822 | |
| 279 | P | A | -0.5794 | |
| 280 | K | A | -1.9360 | |
| 281 | H | A | -2.0240 | |
| 282 | T | A | -1.2578 | |
| 283 | G | A | -1.0757 | |
| 284 | S | A | -1.4156 | |
| 285 | G | A | -2.0800 | |
| 286 | Q | A | -2.7379 | |
| 287 | R | A | -3.2989 | |
| 288 | N | A | -2.9510 | |
| 289 | V | A | -1.4340 | |
| 290 | K | A | -1.3265 | |
| 291 | L | A | 0.5704 | |
| 292 | L | A | 1.6980 | |
| 293 | Y | A | 0.9792 | |
| 294 | P | A | 0.1017 | |
| 295 | P | A | -0.0281 | |
| 296 | L | A | -0.0737 | |
| 297 | P | A | -0.3253 | |
| 298 | S | A | -0.0030 | |
| 299 | T | A | 0.2719 | |
| 300 | T | A | 0.6749 | |
| 301 | V | A | 1.9582 | |
| 302 | P | A | 1.4963 | |
| 303 | S | A | 1.2999 | |
| 304 | V | A | 2.0181 | |
| 305 | L | A | 0.9161 | |
| 306 | D | A | -1.5267 | |
| 307 | S | A | -1.4602 | |
| 308 | E | A | -2.2599 | |
| 309 | A | A | 0.0000 | |
| 310 | A | A | -0.6259 | |
| 311 | S | A | -0.6292 | |
| 312 | F | A | 0.1913 | |
| 313 | N | A | 0.1735 | |
| 314 | I | A | 1.5213 | |
| 315 | P | A | 0.0000 | |
| 316 | Q | A | -0.5509 | |
| 317 | G | A | -0.5340 | |
| 318 | P | A | 0.0000 | |
| 319 | E | A | -2.0136 | |
| 320 | V | A | -1.3303 | |
| 321 | H | A | -1.0437 | |
| 322 | L | A | 0.2544 | |
| 323 | A | A | 0.3062 | |
| 324 | L | A | 0.5011 | |
| 325 | I | A | -0.2909 | |
| 326 | R | A | -2.1541 | |
| 327 | D | A | -1.9208 | |
| 328 | P | A | -1.2379 | |
| 329 | P | A | -1.3099 | |
| 330 | G | A | 0.0000 | |
| 331 | L | A | 0.0000 | |
| 332 | S | A | 0.0000 | |
| 333 | V | A | 0.0000 | |
| 334 | L | A | 0.0182 | |
| 335 | W | A | 0.0000 | |
| 336 | K | A | -1.1048 | |
| 337 | V | A | -0.6514 | |
| 338 | V | A | -0.0418 | |
| 339 | E | A | -2.1361 | |
| 340 | E | A | -2.4384 | |
| 341 | D | A | -1.4519 | |
| 342 | P | A | -0.8719 | |
| 343 | C | A | 0.1372 | |
| 344 | A | A | -0.0852 | |
| 345 | P | A | 0.0000 | |
| 346 | P | A | 0.1068 | |
| 347 | M | A | -0.0264 | |
| 348 | D | A | -0.6752 | |
| 349 | S | A | 0.0000 | |
| 350 | Y | A | 0.0000 | |
| 351 | S | A | 0.0000 | |
| 352 | I | A | 0.0000 | |
| 353 | F | A | -0.0149 | |
| 354 | M | A | 0.0000 | |
| 355 | T | A | 0.0000 | |
| 356 | S | A | -1.2139 | |
| 357 | E | A | 0.0000 | |
| 358 | K | A | -1.1569 | |
| 359 | V | A | 0.2586 | |
| 360 | K | A | -1.5775 | |
| 361 | G | A | -0.9211 | |
| 362 | S | A | 0.0497 | |
| 363 | G | A | 0.0000 | |
| 364 | V | A | 0.7884 | |
| 365 | F | A | 0.0000 | |
| 366 | R | A | -1.7805 | |
| 367 | K | A | -2.5122 | |
| 368 | W | A | -1.3946 | |
| 369 | K | A | -1.6423 | |
| 370 | M | A | -0.1937 | |
| 371 | L | A | -0.2113 | |
| 372 | G | A | -0.7626 | |
| 373 | E | A | -1.7930 | |
| 374 | V | A | -0.9171 | |
| 375 | K | A | -1.5112 | |
| 376 | A | A | -0.0493 | |
| 377 | I | A | 1.6357 | |
| 378 | T | A | 0.9418 | |
| 379 | L | A | 0.6218 | |
| 380 | P | A | 0.2040 | |
| 381 | M | A | 0.0000 | |
| 382 | C | A | 0.7852 | |
| 383 | V | A | 0.9207 | |
| 384 | M | A | 0.6874 | |
| 385 | V | A | 0.0000 | |
| 386 | T | A | -0.9019 | |
| 387 | K | A | -1.9494 | |
| 388 | Y | A | -1.6139 | |
| 389 | K | A | -2.4673 | |
| 390 | P | A | -1.4272 | |
| 391 | G | A | -0.9505 | |
| 392 | H | A | 0.0000 | |
| 393 | K | A | -0.9532 | |
| 394 | V | A | 0.0000 | |
| 395 | C | A | 0.0000 | |
| 396 | V | A | 0.0000 | |
| 397 | A | A | 0.0000 | |
| 398 | V | A | 0.0000 | |
| 399 | V | A | 0.0000 | |
| 400 | G | A | 0.0000 | |
| 401 | K | A | -0.5121 | |
| 402 | D | A | 0.0000 | |
| 403 | T | A | -0.1889 | |
| 404 | F | A | 0.1025 | |
| 405 | G | A | 0.5270 | |
| 406 | R | A | 0.7480 | |
| 407 | W | A | 0.6183 | |
| 408 | G | A | 0.2185 | |
| 409 | P | A | -0.1670 | |
| 410 | Y | A | -0.5088 | |
| 411 | S | A | 0.0000 | |
| 412 | K | A | -1.9083 | |
| 413 | V | A | 0.0000 | |
| 414 | V | A | -0.4385 | |
| 415 | T | A | -0.1668 | |
| 416 | A | A | -0.0161 | |
| 417 | A | A | -0.5009 | |
| 418 | I | A | 0.0000 | |
| 419 | P | A | -0.3310 | |
| 420 | A | A | -0.5853 | |
| 421 | S | A | -0.1789 | |
| 422 | L | A | -0.3835 | |
| 423 | G | A | -0.6331 |
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