| Chain sequence(s) |
A: VDVNTTQKISQSPVPDLEQFRAIAAQKDDRVISKRGEVKEPSTFHKGHKFASVSEGVLRKKYTKFFQENIKTHLDLKQALLKEEKPETALLAYSLVSPSGYRGEPLTERKILEVVSLLDEVKVDGDTYQQLKNTFDSISKDPRMQVSLENQYPGKMDGFGAQLLEMGKEKLKGSGVNAAINLALPGVGLLVATGRELHKASVNGDAEAYHHQLEQISQLPGRDQRLSMPMQQTLAIGHAMLSAEGAVGATLGMATGGLGTFGVSSVATAGVTPIAKEAIGTALATGIISGGGFVAGQAGAYGLNNEVQDQLKQGPMSGVLPRLEISNVKGDFTFSMQEPAAVRALMAYLGPKEDTSMSSPQAPKEAQEMEAARLTLKQMLGSSPSEHLVPDVDSLLKLSDEDMPSQTESTANGAFKKLLSEDWDWLMPAVRAMDKGEASKINEKLTYKLPLDAANGRVYLDKNPNLSDAQLDALDKLGSPSQLRLMYLAEGWILQ
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 (00:13:24)
[INFO] Main: Simulation completed successfully. (00:13:29)
|
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 | V | A | 1.1926 | |
| 2 | D | A | -0.4297 | |
| 3 | V | A | 0.6955 | |
| 4 | N | A | -0.9142 | |
| 5 | T | A | -1.0206 | |
| 6 | T | A | -1.0421 | |
| 7 | Q | A | -1.6892 | |
| 8 | K | A | -1.5766 | |
| 9 | I | A | 0.3554 | |
| 10 | S | A | -0.5962 | |
| 11 | Q | A | -1.2769 | |
| 12 | S | A | -1.4143 | |
| 13 | P | A | -1.3684 | |
| 14 | V | A | -0.8336 | |
| 15 | P | A | 0.0000 | |
| 16 | D | A | -2.6942 | |
| 17 | L | A | 0.0000 | |
| 18 | E | A | -2.6235 | |
| 19 | Q | A | -2.1837 | |
| 20 | F | A | 0.0000 | |
| 21 | R | A | -1.5947 | |
| 22 | A | A | -0.9194 | |
| 23 | I | A | -0.8754 | |
| 24 | A | A | -0.6243 | |
| 25 | A | A | -1.2022 | |
| 26 | Q | A | -1.8370 | |
| 27 | K | A | -2.6224 | |
| 28 | D | A | -3.0361 | |
| 29 | D | A | -3.1164 | |
| 30 | R | A | 0.0000 | |
| 31 | V | A | 0.0000 | |
| 32 | I | A | 0.0000 | |
| 33 | S | A | 0.0000 | |
| 34 | K | A | -2.2617 | |
| 35 | R | A | -2.8109 | |
| 36 | G | A | -2.2508 | |
| 37 | E | A | -2.5871 | |
| 38 | V | A | 0.0000 | |
| 39 | K | A | -2.3005 | |
| 40 | E | A | -2.5435 | |
| 41 | P | A | 0.0000 | |
| 42 | S | A | -0.4127 | |
| 43 | T | A | -0.0528 | |
| 44 | F | A | 0.9722 | |
| 45 | H | A | -0.5144 | |
| 46 | K | A | -1.9666 | |
| 47 | G | A | 0.0000 | |
| 48 | H | A | -1.0576 | |
| 49 | K | A | -1.5991 | |
| 50 | F | A | -1.3311 | |
| 51 | A | A | -0.8737 | |
| 52 | S | A | -0.1412 | |
| 53 | V | A | 1.0169 | |
| 54 | S | A | -0.3983 | |
| 55 | E | A | -2.2285 | |
| 56 | G | A | -1.7798 | |
| 57 | V | A | -1.3247 | |
| 58 | L | A | 0.0000 | |
| 59 | R | A | -3.2279 | |
| 60 | K | A | -3.2948 | |
| 61 | K | A | -3.0745 | |
| 62 | Y | A | -2.2025 | |
| 63 | T | A | -2.1293 | |
| 64 | K | A | -2.4045 | |
| 65 | F | A | 0.0000 | |
| 66 | F | A | -1.0633 | |
| 67 | Q | A | -1.5386 | |
| 68 | E | A | -1.1612 | |
| 69 | N | A | 0.0000 | |
| 70 | I | A | 0.1463 | |
| 71 | K | A | -0.2907 | |
| 72 | T | A | 0.0000 | |
| 73 | H | A | 0.0000 | |
| 74 | L | A | 0.8155 | |
| 75 | D | A | 0.0000 | |
| 76 | L | A | 0.0000 | |
| 77 | K | A | -0.5203 | |
| 78 | Q | A | -1.1206 | |
| 79 | A | A | 0.0000 | |
| 80 | L | A | 0.0000 | |
| 81 | L | A | -2.0177 | |
| 82 | K | A | -3.2066 | |
| 83 | E | A | -3.3085 | |
| 84 | E | A | -2.8597 | |
| 85 | K | A | -3.1536 | |
| 86 | P | A | -2.1188 | |
| 87 | E | A | -2.3377 | |
| 88 | T | A | -1.6999 | |
| 89 | A | A | 0.0000 | |
| 90 | L | A | -0.2649 | |
| 91 | L | A | -0.2010 | |
| 92 | A | A | 0.0000 | |
| 93 | Y | A | 0.0000 | |
| 94 | S | A | 0.1070 | |
| 95 | L | A | 0.0000 | |
| 96 | V | A | 0.0000 | |
| 97 | S | A | 0.3950 | |
| 98 | P | A | -0.1045 | |
| 99 | S | A | 0.0000 | |
| 100 | G | A | 0.0000 | |
| 101 | Y | A | 1.1234 | |
| 102 | R | A | -0.1288 | |
| 103 | G | A | 0.0000 | |
| 104 | E | A | -0.4306 | |
| 105 | P | A | -0.7305 | |
| 106 | L | A | 0.0000 | |
| 107 | T | A | -1.7917 | |
| 108 | E | A | -1.8705 | |
| 109 | R | A | -1.4828 | |
| 110 | K | A | -0.9617 | |
| 111 | I | A | 0.0000 | |
| 112 | L | A | -0.2168 | |
| 113 | E | A | 0.0000 | |
| 114 | V | A | 0.0000 | |
| 115 | V | A | 0.0000 | |
| 116 | S | A | -0.5388 | |
| 117 | L | A | 0.0000 | |
| 118 | L | A | 0.0000 | |
| 119 | D | A | -1.4264 | |
| 120 | E | A | -1.1743 | |
| 121 | V | A | 0.0000 | |
| 122 | K | A | -1.9811 | |
| 123 | V | A | -0.0469 | |
| 124 | D | A | -1.6073 | |
| 125 | G | A | -2.2221 | |
| 126 | D | A | -2.7422 | |
| 127 | T | A | -1.7918 | |
| 128 | Y | A | 0.0000 | |
| 129 | Q | A | -2.5122 | |
| 130 | Q | A | -2.7705 | |
| 131 | L | A | 0.0000 | |
| 132 | K | A | -2.2569 | |
| 133 | N | A | -2.6764 | |
| 134 | T | A | -1.9068 | |
| 135 | F | A | 0.0000 | |
| 136 | D | A | -2.9300 | |
| 137 | S | A | -2.3040 | |
| 138 | I | A | 0.0000 | |
| 139 | S | A | 0.0000 | |
| 140 | K | A | -2.4156 | |
| 141 | D | A | 0.0000 | |
| 142 | P | A | -0.5923 | |
| 143 | R | A | -0.6075 | |
| 144 | M | A | 0.0000 | |
| 145 | Q | A | 0.0000 | |
| 146 | V | A | -0.2338 | |
| 147 | S | A | -0.5918 | |
| 148 | L | A | 0.0000 | |
| 149 | E | A | -1.6874 | |
| 150 | N | A | -1.9677 | |
| 151 | Q | A | -1.3467 | |
| 152 | Y | A | -1.3457 | |
| 153 | P | A | -1.7752 | |
| 154 | G | A | -2.0742 | |
| 155 | K | A | -2.5218 | |
| 156 | M | A | 0.0000 | |
| 157 | D | A | -2.9781 | |
| 158 | G | A | -1.5963 | |
| 159 | F | A | -0.7099 | |
| 160 | G | A | -0.4976 | |
| 161 | A | A | -0.6386 | |
| 162 | Q | A | -1.1566 | |
| 163 | L | A | 0.0914 | |
| 164 | L | A | 0.0465 | |
| 165 | E | A | -1.9901 | |
| 166 | M | A | -0.6659 | |
| 167 | G | A | -1.1855 | |
| 168 | K | A | -2.8613 | |
| 169 | E | A | -3.1753 | |
| 170 | K | A | -2.6320 | |
| 171 | L | A | -0.9636 | |
| 172 | K | A | -2.1567 | |
| 173 | G | A | -1.1344 | |
| 174 | S | A | -0.6617 | |
| 175 | G | A | 0.2798 | |
| 176 | V | A | 0.9149 | |
| 177 | N | A | -0.4855 | |
| 178 | A | A | 0.3138 | |
| 179 | A | A | 0.4697 | |
| 180 | I | A | 1.8237 | |
| 181 | N | A | 0.6321 | |
| 182 | L | A | 1.8797 | |
| 183 | A | A | 1.4203 | |
| 184 | L | A | 1.8276 | |
| 185 | P | A | 0.9105 | |
| 186 | G | A | 1.0338 | |
| 187 | V | A | 1.8589 | |
| 188 | G | A | 1.5822 | |
| 189 | L | A | 1.2412 | |
| 190 | L | A | 1.8918 | |
| 191 | V | A | 1.5037 | |
| 192 | A | A | 0.4213 | |
| 193 | T | A | 0.2945 | |
| 194 | G | A | -0.2243 | |
| 195 | R | A | -1.7623 | |
| 196 | E | A | -1.2744 | |
| 197 | L | A | 0.0177 | |
| 198 | H | A | -1.1060 | |
| 199 | K | A | -1.0359 | |
| 200 | A | A | -0.4003 | |
| 201 | S | A | -0.0519 | |
| 202 | V | A | 0.9417 | |
| 203 | N | A | 0.0436 | |
| 204 | G | A | -0.3778 | |
| 205 | D | A | -0.4512 | |
| 206 | A | A | 0.0000 | |
| 207 | E | A | -0.6574 | |
| 208 | A | A | -0.5759 | |
| 209 | Y | A | -0.6154 | |
| 210 | H | A | 0.0000 | |
| 211 | H | A | -1.0246 | |
| 212 | Q | A | -0.9340 | |
| 213 | L | A | 0.0000 | |
| 214 | E | A | -1.2796 | |
| 215 | Q | A | -1.2613 | |
| 216 | I | A | 0.0000 | |
| 217 | S | A | 0.0000 | |
| 218 | Q | A | -1.9519 | |
| 219 | L | A | -1.5367 | |
| 220 | P | A | -1.1844 | |
| 221 | G | A | -1.2986 | |
| 222 | R | A | -1.6059 | |
| 223 | D | A | -2.0802 | |
| 224 | Q | A | -2.0809 | |
| 225 | R | A | -1.0643 | |
| 226 | L | A | 0.0000 | |
| 227 | S | A | 0.0000 | |
| 228 | M | A | -0.9064 | |
| 229 | P | A | 0.0000 | |
| 230 | M | A | 0.0000 | |
| 231 | Q | A | 0.0000 | |
| 232 | Q | A | -0.4429 | |
| 233 | T | A | 0.0000 | |
| 234 | L | A | 0.0000 | |
| 235 | A | A | 0.0000 | |
| 236 | I | A | 0.1252 | |
| 237 | G | A | 0.0000 | |
| 238 | H | A | -0.0479 | |
| 239 | A | A | -0.0428 | |
| 240 | M | A | 0.0005 | |
| 241 | L | A | 0.1914 | |
| 242 | S | A | -0.1617 | |
| 243 | A | A | -0.3469 | |
| 244 | E | A | -0.8038 | |
| 245 | G | A | 0.0000 | |
| 246 | A | A | -0.2162 | |
| 247 | V | A | 0.0829 | |
| 248 | G | A | -0.6357 | |
| 249 | A | A | 0.0000 | |
| 250 | T | A | 0.0932 | |
| 251 | L | A | 0.1095 | |
| 252 | G | A | 0.1438 | |
| 253 | M | A | 0.5743 | |
| 254 | A | A | 0.6762 | |
| 255 | T | A | 0.4353 | |
| 256 | G | A | -0.0100 | |
| 257 | G | A | 0.0051 | |
| 258 | L | A | 0.4968 | |
| 259 | G | A | -0.0720 | |
| 260 | T | A | 0.1172 | |
| 261 | F | A | 0.7937 | |
| 262 | G | A | 0.1454 | |
| 263 | V | A | 0.8791 | |
| 264 | S | A | 0.5676 | |
| 265 | S | A | 0.6288 | |
| 266 | V | A | 1.6713 | |
| 267 | A | A | 1.1454 | |
| 268 | T | A | 0.9810 | |
| 269 | A | A | 1.0210 | |
| 270 | G | A | 1.0232 | |
| 271 | V | A | 2.0220 | |
| 272 | T | A | 1.0183 | |
| 273 | P | A | 0.4655 | |
| 274 | I | A | 1.5450 | |
| 275 | A | A | 0.3542 | |
| 276 | K | A | -0.9766 | |
| 277 | E | A | -1.6449 | |
| 278 | A | A | -0.5781 | |
| 279 | I | A | -0.5089 | |
| 280 | G | A | -0.8932 | |
| 281 | T | A | -0.6542 | |
| 282 | A | A | -0.0221 | |
| 283 | L | A | 0.4946 | |
| 284 | A | A | 0.0000 | |
| 285 | T | A | 0.4528 | |
| 286 | G | A | 0.3537 | |
| 287 | I | A | 1.4997 | |
| 288 | I | A | 1.8412 | |
| 289 | S | A | 0.3972 | |
| 290 | G | A | -0.0148 | |
| 291 | G | A | 0.2331 | |
| 292 | G | A | 0.7494 | |
| 293 | F | A | 2.2684 | |
| 294 | V | A | 2.2718 | |
| 295 | A | A | 1.3373 | |
| 296 | G | A | 0.8525 | |
| 297 | Q | A | 0.5044 | |
| 298 | A | A | 0.8400 | |
| 299 | G | A | 0.0000 | |
| 300 | A | A | -0.0155 | |
| 301 | Y | A | 0.2929 | |
| 302 | G | A | -0.4573 | |
| 303 | L | A | -0.7457 | |
| 304 | N | A | -1.3053 | |
| 305 | N | A | -2.3029 | |
| 306 | E | A | -2.7347 | |
| 307 | V | A | -1.7773 | |
| 308 | Q | A | -2.2445 | |
| 309 | D | A | -2.7601 | |
| 310 | Q | A | -2.4997 | |
| 311 | L | A | -1.0840 | |
| 312 | K | A | -1.5046 | |
| 313 | Q | A | -2.0494 | |
| 314 | G | A | -1.1774 | |
| 315 | P | A | -0.6751 | |
| 316 | M | A | -0.3235 | |
| 317 | S | A | -0.4295 | |
| 318 | G | A | -0.4584 | |
| 319 | V | A | 0.0000 | |
| 320 | L | A | 0.0000 | |
| 321 | P | A | 0.0000 | |
| 322 | R | A | 0.0000 | |
| 323 | L | A | 0.0000 | |
| 324 | E | A | -1.4986 | |
| 325 | I | A | 0.0000 | |
| 326 | S | A | -1.4130 | |
| 327 | N | A | -0.6838 | |
| 328 | V | A | 0.5358 | |
| 329 | K | A | -1.7985 | |
| 330 | G | A | -1.4000 | |
| 331 | D | A | -2.1376 | |
| 332 | F | A | -1.3400 | |
| 333 | T | A | -0.5522 | |
| 334 | F | A | 0.0000 | |
| 335 | S | A | -0.5082 | |
| 336 | M | A | 0.0000 | |
| 337 | Q | A | -0.7583 | |
| 338 | E | A | -1.1232 | |
| 339 | P | A | -0.7090 | |
| 340 | A | A | -0.7685 | |
| 341 | A | A | 0.0000 | |
| 342 | V | A | 0.0000 | |
| 343 | R | A | -0.7123 | |
| 344 | A | A | 0.0000 | |
| 345 | L | A | 0.0000 | |
| 346 | M | A | 0.0000 | |
| 347 | A | A | -0.2293 | |
| 348 | Y | A | 0.0000 | |
| 349 | L | A | 0.0000 | |
| 350 | G | A | 0.0000 | |
| 351 | P | A | -0.9453 | |
| 352 | K | A | -1.7612 | |
| 353 | E | A | -1.5741 | |
| 354 | D | A | -1.2978 | |
| 355 | T | A | -0.8340 | |
| 356 | S | A | -0.7794 | |
| 357 | M | A | -1.2719 | |
| 358 | S | A | -1.2266 | |
| 359 | S | A | -1.0133 | |
| 360 | P | A | -1.2366 | |
| 361 | Q | A | -1.7019 | |
| 362 | A | A | -1.6730 | |
| 363 | P | A | -2.0308 | |
| 364 | K | A | -3.0655 | |
| 365 | E | A | -2.7330 | |
| 366 | A | A | 0.0000 | |
| 367 | Q | A | -2.4457 | |
| 368 | E | A | -2.7242 | |
| 369 | M | A | -1.8608 | |
| 370 | E | A | 0.0000 | |
| 371 | A | A | -0.8290 | |
| 372 | A | A | -0.9621 | |
| 373 | R | A | 0.0000 | |
| 374 | L | A | -0.6316 | |
| 375 | T | A | -0.3164 | |
| 376 | L | A | 0.0000 | |
| 377 | K | A | 0.0000 | |
| 378 | Q | A | -1.2566 | |
| 379 | M | A | -0.9668 | |
| 380 | L | A | 0.0000 | |
| 381 | G | A | -1.1632 | |
| 382 | S | A | 0.0000 | |
| 383 | S | A | -0.9265 | |
| 384 | P | A | -1.1611 | |
| 385 | S | A | -1.0468 | |
| 386 | E | A | -0.9714 | |
| 387 | H | A | -1.1078 | |
| 388 | L | A | 0.0000 | |
| 389 | V | A | 0.2900 | |
| 390 | P | A | 0.4571 | |
| 391 | D | A | 0.5545 | |
| 392 | V | A | 1.5685 | |
| 393 | D | A | 0.5380 | |
| 394 | S | A | 0.7129 | |
| 395 | L | A | 1.6497 | |
| 396 | L | A | 1.2986 | |
| 397 | K | A | -0.6491 | |
| 398 | L | A | -0.8354 | |
| 399 | S | A | -1.7750 | |
| 400 | D | A | -2.9046 | |
| 401 | E | A | -2.8192 | |
| 402 | D | A | -1.9943 | |
| 403 | M | A | -1.3826 | |
| 404 | P | A | -0.9644 | |
| 405 | S | A | -1.2374 | |
| 406 | Q | A | -1.3650 | |
| 407 | T | A | -1.5854 | |
| 408 | E | A | -0.9741 | |
| 409 | S | A | -0.7760 | |
| 410 | T | A | -0.9552 | |
| 411 | A | A | 0.0000 | |
| 412 | N | A | 0.0000 | |
| 413 | G | A | -0.5356 | |
| 414 | A | A | 0.0000 | |
| 415 | F | A | 0.0000 | |
| 416 | K | A | -0.9400 | |
| 417 | K | A | -1.4248 | |
| 418 | L | A | 0.0000 | |
| 419 | L | A | 0.0000 | |
| 420 | S | A | -1.2923 | |
| 421 | E | A | -2.2814 | |
| 422 | D | A | -1.3054 | |
| 423 | W | A | -0.3714 | |
| 424 | D | A | -1.5105 | |
| 425 | W | A | 0.0000 | |
| 426 | L | A | 0.0000 | |
| 427 | M | A | -0.7943 | |
| 428 | P | A | -1.3600 | |
| 429 | A | A | 0.0000 | |
| 430 | V | A | 0.0000 | |
| 431 | R | A | -2.5046 | |
| 432 | A | A | 0.0000 | |
| 433 | M | A | 0.0000 | |
| 434 | D | A | -2.5386 | |
| 435 | K | A | -2.8026 | |
| 436 | G | A | -2.7279 | |
| 437 | E | A | -2.5422 | |
| 438 | A | A | 0.0000 | |
| 439 | S | A | -2.4616 | |
| 440 | K | A | -2.4780 | |
| 441 | I | A | 0.0000 | |
| 442 | N | A | -2.4154 | |
| 443 | E | A | -3.2502 | |
| 444 | K | A | -2.9697 | |
| 445 | L | A | 0.0000 | |
| 446 | T | A | -1.9891 | |
| 447 | Y | A | -1.0834 | |
| 448 | K | A | -1.1660 | |
| 449 | L | A | 0.3935 | |
| 450 | P | A | 0.1373 | |
| 451 | L | A | 0.2523 | |
| 452 | D | A | -1.9692 | |
| 453 | A | A | -1.3750 | |
| 454 | A | A | -1.2125 | |
| 455 | N | A | -1.8997 | |
| 456 | G | A | -1.9143 | |
| 457 | R | A | -1.8374 | |
| 458 | V | A | 0.5512 | |
| 459 | Y | A | 1.0830 | |
| 460 | L | A | 0.3205 | |
| 461 | D | A | -1.8245 | |
| 462 | K | A | -1.7197 | |
| 463 | N | A | -2.3417 | |
| 464 | P | A | 0.0000 | |
| 465 | N | A | -2.0260 | |
| 466 | L | A | 0.0000 | |
| 467 | S | A | -1.6139 | |
| 468 | D | A | -2.4988 | |
| 469 | A | A | -1.6974 | |
| 470 | Q | A | -1.9271 | |
| 471 | L | A | -2.5458 | |
| 472 | D | A | -3.3727 | |
| 473 | A | A | 0.0000 | |
| 474 | L | A | 0.0000 | |
| 475 | D | A | -3.5114 | |
| 476 | K | A | -3.0631 | |
| 477 | L | A | -1.5308 | |
| 478 | G | A | -1.9394 | |
| 479 | S | A | -1.5352 | |
| 480 | P | A | 0.0000 | |
| 481 | S | A | 0.0000 | |
| 482 | Q | A | 0.0000 | |
| 483 | L | A | 0.0000 | |
| 484 | R | A | 0.0000 | |
| 485 | L | A | 0.0000 | |
| 486 | M | A | 0.0000 | |
| 487 | Y | A | 0.0000 | |
| 488 | L | A | 0.0000 | |
| 489 | A | A | 0.0000 | |
| 490 | E | A | -0.2298 | |
| 491 | G | A | 0.2076 | |
| 492 | W | A | 0.0000 | |
| 493 | I | A | 0.5818 | |
| 494 | L | A | 0.5814 | |
| 495 | Q | A | -0.6581 |
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