| Chain sequence(s) |
A: MKAFHTFCVVLLVFGSVSEAKFDDFEDEEDIVEYDDNDFAEFEDVMEDSVTESPQRVIITEDDEDETTVELEGQDENQEGDFEDADTQEGDTESEPYDDEEFEGYEDKPDTSSSKNKDPITIVDVPAHLQNSWESYYLEILMVTGLLAYIMNYIIGKNKNSRLAQAWFNTHRELLESNFTLVGDDGTNKEATSTGKLNQENEHIYNLWCSGRVCCEGMLIQLRFLKRQDLLNVLARMMRPVSDQVQIKVTMNDEDMDTYVFAVGTRKALVRLQKEMQDLSEFCSDKPKSGAKYGLPDSLAILSEMGEVTDGMMDTKMVHFLTHYADKIESVHFSDQFSGPKIMQEEGQPLKLPDTKRTLLFTFNVPGSGNTYPKDMEALLPLMNMVIYSIDKAKKFRLNREGKQKADKNRARVEENFLKLTHVQRQEAAQSRREEKKRAEKERIMNEEDPEKQRRLEEAALRREQKKLEKKQMKMKQIKVKAM
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 (00:12:45)
[INFO] Main: Simulation completed successfully. (00:12:48)
|
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 | 0.6254 | |
| 2 | K | A | -0.6239 | |
| 3 | A | A | 0.7469 | |
| 4 | F | A | 2.1826 | |
| 5 | H | A | 0.7937 | |
| 6 | T | A | 1.7945 | |
| 7 | F | A | 3.6288 | |
| 8 | C | A | 3.5367 | |
| 9 | V | A | 4.0661 | |
| 10 | V | A | 4.5592 | |
| 11 | L | A | 4.8304 | |
| 12 | L | A | 4.6659 | |
| 13 | V | A | 4.5881 | |
| 14 | F | A | 4.0777 | |
| 15 | G | A | 2.2879 | |
| 16 | S | A | 1.4351 | |
| 17 | V | A | 1.5023 | |
| 18 | S | A | -0.5317 | |
| 19 | E | A | -1.6542 | |
| 20 | A | A | -1.2440 | |
| 21 | K | A | -1.8554 | |
| 22 | F | A | -0.1684 | |
| 23 | D | A | -1.8564 | |
| 24 | D | A | -2.0857 | |
| 25 | F | A | -0.7377 | |
| 26 | E | A | -3.0201 | |
| 27 | D | A | -3.9161 | |
| 28 | E | A | -4.0549 | |
| 29 | E | A | -3.4798 | |
| 30 | D | A | -2.1001 | |
| 31 | I | A | 1.0239 | |
| 32 | V | A | 1.4051 | |
| 33 | E | A | -0.4239 | |
| 34 | Y | A | -0.0856 | |
| 35 | D | A | -1.8846 | |
| 36 | D | A | -2.7860 | |
| 37 | N | A | -2.7628 | |
| 38 | D | A | -2.2098 | |
| 39 | F | A | -0.1424 | |
| 40 | A | A | -1.3127 | |
| 41 | E | A | -1.6971 | |
| 42 | F | A | 0.4567 | |
| 43 | E | A | -1.4504 | |
| 44 | D | A | -2.1262 | |
| 45 | V | A | 0.0625 | |
| 46 | M | A | -0.3106 | |
| 47 | E | A | -2.2029 | |
| 48 | D | A | -1.8800 | |
| 49 | S | A | -0.5046 | |
| 50 | V | A | 0.4562 | |
| 51 | T | A | -0.4287 | |
| 52 | E | A | -1.7231 | |
| 53 | S | A | -1.5595 | |
| 54 | P | A | -1.6498 | |
| 55 | Q | A | -1.8149 | |
| 56 | R | A | -0.9389 | |
| 57 | V | A | 2.0224 | |
| 58 | I | A | 3.0588 | |
| 59 | I | A | 2.5889 | |
| 60 | T | A | 0.0785 | |
| 61 | E | A | -2.6338 | |
| 62 | D | A | -3.7703 | |
| 63 | D | A | -4.3156 | |
| 64 | E | A | -4.5906 | |
| 65 | D | A | -3.9502 | |
| 66 | E | A | -2.9870 | |
| 67 | T | A | -0.9733 | |
| 68 | T | A | -0.0976 | |
| 69 | V | A | 1.0099 | |
| 70 | E | A | -0.6289 | |
| 71 | L | A | 0.0751 | |
| 72 | E | A | -1.9498 | |
| 73 | G | A | -2.0018 | |
| 74 | Q | A | -3.0927 | |
| 75 | D | A | -3.6675 | |
| 76 | E | A | -3.8570 | |
| 77 | N | A | -3.5931 | |
| 78 | Q | A | -3.2191 | |
| 79 | E | A | -3.3163 | |
| 80 | G | A | -2.0607 | |
| 81 | D | A | -2.0489 | |
| 82 | F | A | -0.3268 | |
| 83 | E | A | -2.1241 | |
| 84 | D | A | -2.8018 | |
| 85 | A | A | -1.9119 | |
| 86 | D | A | -2.6492 | |
| 87 | T | A | -2.1826 | |
| 88 | Q | A | -2.6180 | |
| 89 | E | A | -3.2456 | |
| 90 | G | A | -2.6955 | |
| 91 | D | A | -2.9197 | |
| 92 | T | A | -2.4359 | |
| 93 | E | A | -2.9077 | |
| 94 | S | A | -2.1288 | |
| 95 | E | A | -2.3691 | |
| 96 | P | A | -1.3857 | |
| 97 | Y | A | -0.8452 | |
| 98 | D | A | -3.0368 | |
| 99 | D | A | -3.6887 | |
| 100 | E | A | -4.0120 | |
| 101 | E | A | -3.5225 | |
| 102 | F | A | -1.3920 | |
| 103 | E | A | -2.4505 | |
| 104 | G | A | -1.4916 | |
| 105 | Y | A | -0.6854 | |
| 106 | E | A | -2.8611 | |
| 107 | D | A | -3.4943 | |
| 108 | K | A | -3.4576 | |
| 109 | P | A | -2.5691 | |
| 110 | D | A | -2.6191 | |
| 111 | T | A | -1.3980 | |
| 112 | S | A | -0.7817 | |
| 113 | S | A | -1.2268 | |
| 114 | S | A | -1.6969 | |
| 115 | K | A | -3.0942 | |
| 116 | N | A | -3.5489 | |
| 117 | K | A | -3.4514 | |
| 118 | D | A | -2.7990 | |
| 119 | P | A | -0.4836 | |
| 120 | I | A | 1.9734 | |
| 121 | T | A | 1.8563 | |
| 122 | I | A | 3.0838 | |
| 123 | V | A | 2.4941 | |
| 124 | D | A | 0.2307 | |
| 125 | V | A | 1.1713 | |
| 126 | P | A | 0.2222 | |
| 127 | A | A | -0.4599 | |
| 128 | H | A | -0.8942 | |
| 129 | L | A | 0.4932 | |
| 130 | Q | A | -1.0524 | |
| 131 | N | A | -1.5173 | |
| 132 | S | A | -0.7064 | |
| 133 | W | A | 0.4513 | |
| 134 | E | A | -0.8164 | |
| 135 | S | A | -0.1928 | |
| 136 | Y | A | 1.3326 | |
| 137 | Y | A | 2.1902 | |
| 138 | L | A | 2.3319 | |
| 139 | E | A | 1.2907 | |
| 140 | I | A | 2.4490 | |
| 141 | L | A | 2.8050 | |
| 142 | M | A | 2.8993 | |
| 143 | V | A | 3.3319 | |
| 144 | T | A | 2.2757 | |
| 145 | G | A | 2.0074 | |
| 146 | L | A | 3.2087 | |
| 147 | L | A | 2.7980 | |
| 148 | A | A | 2.0038 | |
| 149 | Y | A | 2.7063 | |
| 150 | I | A | 2.5115 | |
| 151 | M | A | 2.3758 | |
| 152 | N | A | 1.8954 | |
| 153 | Y | A | 1.4839 | |
| 154 | I | A | 1.8087 | |
| 155 | I | A | 2.0853 | |
| 156 | G | A | 0.0000 | |
| 157 | K | A | -0.9769 | |
| 158 | N | A | -1.2147 | |
| 159 | K | A | -1.2359 | |
| 160 | N | A | 0.0000 | |
| 161 | S | A | -1.9807 | |
| 162 | R | A | -2.6979 | |
| 163 | L | A | 0.0000 | |
| 164 | A | A | 0.0000 | |
| 165 | Q | A | -2.3541 | |
| 166 | A | A | -2.0574 | |
| 167 | W | A | 0.0000 | |
| 168 | F | A | 0.0000 | |
| 169 | N | A | -2.5359 | |
| 170 | T | A | -2.1204 | |
| 171 | H | A | 0.0000 | |
| 172 | R | A | -3.1941 | |
| 173 | E | A | -3.2962 | |
| 174 | L | A | -1.8802 | |
| 175 | L | A | 0.0000 | |
| 176 | E | A | -2.9720 | |
| 177 | S | A | -1.8960 | |
| 178 | N | A | -1.1484 | |
| 179 | F | A | 0.0000 | |
| 180 | T | A | -0.5828 | |
| 181 | L | A | -0.4158 | |
| 182 | V | A | 0.0000 | |
| 183 | G | A | 0.0000 | |
| 184 | D | A | -1.4013 | |
| 185 | D | A | -1.7467 | |
| 186 | G | A | -1.7750 | |
| 187 | T | A | -1.6490 | |
| 188 | N | A | -2.5769 | |
| 189 | K | A | -3.0414 | |
| 190 | E | A | -3.0001 | |
| 191 | A | A | -1.8161 | |
| 192 | T | A | -1.2707 | |
| 193 | S | A | -1.0936 | |
| 194 | T | A | -1.0068 | |
| 195 | G | A | -1.7021 | |
| 196 | K | A | -2.2255 | |
| 197 | L | A | -1.6532 | |
| 198 | N | A | -2.0513 | |
| 199 | Q | A | -2.7297 | |
| 200 | E | A | -2.8284 | |
| 201 | N | A | -2.2343 | |
| 202 | E | A | -2.0412 | |
| 203 | H | A | 0.0000 | |
| 204 | I | A | -1.6337 | |
| 205 | Y | A | 0.0000 | |
| 206 | N | A | -1.3228 | |
| 207 | L | A | 0.0000 | |
| 208 | W | A | 0.1362 | |
| 209 | C | A | 0.0000 | |
| 210 | S | A | -0.4052 | |
| 211 | G | A | -0.5276 | |
| 212 | R | A | 0.0120 | |
| 213 | V | A | 0.9812 | |
| 214 | C | A | -0.6400 | |
| 215 | C | A | 0.0000 | |
| 216 | E | A | -2.0165 | |
| 217 | G | A | 0.0000 | |
| 218 | M | A | 0.0000 | |
| 219 | L | A | 0.1118 | |
| 220 | I | A | 0.0000 | |
| 221 | Q | A | -0.9116 | |
| 222 | L | A | 0.0000 | |
| 223 | R | A | -1.4236 | |
| 224 | F | A | 0.0000 | |
| 225 | L | A | -0.8153 | |
| 226 | K | A | -1.2733 | |
| 227 | R | A | 0.0000 | |
| 228 | Q | A | 0.0000 | |
| 229 | D | A | 0.1914 | |
| 230 | L | A | 1.4181 | |
| 231 | L | A | 1.8801 | |
| 232 | N | A | 0.7956 | |
| 233 | V | A | 1.1833 | |
| 234 | L | A | 2.0144 | |
| 235 | A | A | 1.1190 | |
| 236 | R | A | 0.5017 | |
| 237 | M | A | 1.3171 | |
| 238 | M | A | 0.8804 | |
| 239 | R | A | -0.8297 | |
| 240 | P | A | -0.2805 | |
| 241 | V | A | 0.2628 | |
| 242 | S | A | -0.3178 | |
| 243 | D | A | 0.0000 | |
| 244 | Q | A | -0.8041 | |
| 245 | V | A | 0.0000 | |
| 246 | Q | A | -0.8765 | |
| 247 | I | A | 0.0000 | |
| 248 | K | A | -0.5587 | |
| 249 | V | A | 0.0000 | |
| 250 | T | A | -1.3238 | |
| 251 | M | A | 0.0000 | |
| 252 | N | A | -2.6192 | |
| 253 | D | A | -3.4442 | |
| 254 | E | A | -3.1808 | |
| 255 | D | A | -2.7131 | |
| 256 | M | A | 0.0000 | |
| 257 | D | A | -1.9139 | |
| 258 | T | A | 0.0000 | |
| 259 | Y | A | 0.0000 | |
| 260 | V | A | 0.0000 | |
| 261 | F | A | 0.0000 | |
| 262 | A | A | 0.0000 | |
| 263 | V | A | 0.0000 | |
| 264 | G | A | 0.0000 | |
| 265 | T | A | -1.7476 | |
| 266 | R | A | -2.4296 | |
| 267 | K | A | -2.4299 | |
| 268 | A | A | -1.6225 | |
| 269 | L | A | 0.0000 | |
| 270 | V | A | -2.1170 | |
| 271 | R | A | -3.0497 | |
| 272 | L | A | -1.9958 | |
| 273 | Q | A | -2.5913 | |
| 274 | K | A | -3.3296 | |
| 275 | E | A | -2.8057 | |
| 276 | M | A | 0.0000 | |
| 277 | Q | A | -1.5327 | |
| 278 | D | A | 0.0000 | |
| 279 | L | A | 0.0000 | |
| 280 | S | A | -2.0433 | |
| 281 | E | A | -2.4717 | |
| 282 | F | A | -1.2024 | |
| 283 | C | A | 0.0000 | |
| 284 | S | A | -1.9998 | |
| 285 | D | A | -3.2301 | |
| 286 | K | A | -3.1381 | |
| 287 | P | A | -2.4993 | |
| 288 | K | A | -2.8199 | |
| 289 | S | A | -2.0661 | |
| 290 | G | A | 0.0000 | |
| 291 | A | A | -1.5876 | |
| 292 | K | A | -1.9214 | |
| 293 | Y | A | -1.1020 | |
| 294 | G | A | -1.1764 | |
| 295 | L | A | 0.0000 | |
| 296 | P | A | -1.5573 | |
| 297 | D | A | -2.0827 | |
| 298 | S | A | -1.7972 | |
| 299 | L | A | 0.0000 | |
| 300 | A | A | 0.0000 | |
| 301 | I | A | 0.0000 | |
| 302 | L | A | 0.0000 | |
| 303 | S | A | -1.0997 | |
| 304 | E | A | -1.0375 | |
| 305 | M | A | 0.0000 | |
| 306 | G | A | -1.5376 | |
| 307 | E | A | -2.3604 | |
| 308 | V | A | 0.0000 | |
| 309 | T | A | 0.0000 | |
| 310 | D | A | -2.3971 | |
| 311 | G | A | -1.7021 | |
| 312 | M | A | 0.0000 | |
| 313 | M | A | 0.0000 | |
| 314 | D | A | -1.1343 | |
| 315 | T | A | -0.8288 | |
| 316 | K | A | -1.1921 | |
| 317 | M | A | 0.0000 | |
| 318 | V | A | -0.6250 | |
| 319 | H | A | -1.1314 | |
| 320 | F | A | -0.6334 | |
| 321 | L | A | 0.0000 | |
| 322 | T | A | -1.1504 | |
| 323 | H | A | -1.2701 | |
| 324 | Y | A | -0.9516 | |
| 325 | A | A | -1.5103 | |
| 326 | D | A | -2.2242 | |
| 327 | K | A | -1.5482 | |
| 328 | I | A | 0.0000 | |
| 329 | E | A | -1.3580 | |
| 330 | S | A | 0.0000 | |
| 331 | V | A | 0.0000 | |
| 332 | H | A | 0.0000 | |
| 333 | F | A | 0.0000 | |
| 334 | S | A | 0.0000 | |
| 335 | D | A | 0.0000 | |
| 336 | Q | A | -0.9137 | |
| 337 | F | A | -0.8193 | |
| 338 | S | A | -1.1297 | |
| 339 | G | A | -0.8826 | |
| 340 | P | A | -0.9861 | |
| 341 | K | A | -1.1348 | |
| 342 | I | A | 0.5024 | |
| 343 | M | A | 0.0322 | |
| 344 | Q | A | -1.6705 | |
| 345 | E | A | -2.8106 | |
| 346 | E | A | -2.9891 | |
| 347 | G | A | -1.5703 | |
| 348 | Q | A | -0.6530 | |
| 349 | P | A | -0.1696 | |
| 350 | L | A | 0.2568 | |
| 351 | K | A | -1.0586 | |
| 352 | L | A | -0.6885 | |
| 353 | P | A | -1.2048 | |
| 354 | D | A | -2.2816 | |
| 355 | T | A | -1.5760 | |
| 356 | K | A | -2.2463 | |
| 357 | R | A | -1.8760 | |
| 358 | T | A | 0.0000 | |
| 359 | L | A | 0.0000 | |
| 360 | L | A | -0.1100 | |
| 361 | F | A | 0.0000 | |
| 362 | T | A | -0.5453 | |
| 363 | F | A | 0.0000 | |
| 364 | N | A | -1.0950 | |
| 365 | V | A | 0.0000 | |
| 366 | P | A | -0.9990 | |
| 367 | G | A | -0.6974 | |
| 368 | S | A | -0.8418 | |
| 369 | G | A | -0.5648 | |
| 370 | N | A | -1.1159 | |
| 371 | T | A | 0.0000 | |
| 372 | Y | A | -0.3193 | |
| 373 | P | A | -1.2520 | |
| 374 | K | A | -1.9463 | |
| 375 | D | A | 0.0000 | |
| 376 | M | A | 0.0000 | |
| 377 | E | A | -2.2922 | |
| 378 | A | A | -1.1371 | |
| 379 | L | A | 0.0000 | |
| 380 | L | A | -0.4164 | |
| 381 | P | A | -0.4838 | |
| 382 | L | A | 0.0000 | |
| 383 | M | A | 0.0000 | |
| 384 | N | A | -0.6749 | |
| 385 | M | A | 0.0000 | |
| 386 | V | A | 0.0000 | |
| 387 | I | A | -0.1123 | |
| 388 | Y | A | -0.2879 | |
| 389 | S | A | 0.0000 | |
| 390 | I | A | 0.0000 | |
| 391 | D | A | -1.0117 | |
| 392 | K | A | -1.5541 | |
| 393 | A | A | 0.0000 | |
| 394 | K | A | -2.8964 | |
| 395 | K | A | -2.9667 | |
| 396 | F | A | -2.2359 | |
| 397 | R | A | -3.0127 | |
| 398 | L | A | 0.0000 | |
| 399 | N | A | -3.3292 | |
| 400 | R | A | -3.9853 | |
| 401 | E | A | -4.1354 | |
| 402 | G | A | 0.0000 | |
| 403 | K | A | -3.7818 | |
| 404 | Q | A | -4.1227 | |
| 405 | K | A | -3.5633 | |
| 406 | A | A | 0.0000 | |
| 407 | D | A | -3.8019 | |
| 408 | K | A | -3.4015 | |
| 409 | N | A | -3.1406 | |
| 410 | R | A | -3.1863 | |
| 411 | A | A | -3.1924 | |
| 412 | R | A | -3.9207 | |
| 413 | V | A | -2.9251 | |
| 414 | E | A | -3.1955 | |
| 415 | E | A | -3.6539 | |
| 416 | N | A | -2.9248 | |
| 417 | F | A | -1.2221 | |
| 418 | L | A | -1.0504 | |
| 419 | K | A | -1.6676 | |
| 420 | L | A | 0.0819 | |
| 421 | T | A | 0.0000 | |
| 422 | H | A | -1.3306 | |
| 423 | V | A | -0.2140 | |
| 424 | Q | A | -1.6175 | |
| 425 | R | A | -2.9462 | |
| 426 | Q | A | -3.0666 | |
| 427 | E | A | -3.5944 | |
| 428 | A | A | -3.0661 | |
| 429 | A | A | -3.2682 | |
| 430 | Q | A | -4.1518 | |
| 431 | S | A | -4.1671 | |
| 432 | R | A | -5.2942 | |
| 433 | R | A | -5.5441 | |
| 434 | E | A | -5.4243 | |
| 435 | E | A | -5.9029 | |
| 436 | K | A | -5.9341 | |
| 437 | K | A | -5.8973 | |
| 438 | R | A | -5.7551 | |
| 439 | A | A | -4.2863 | |
| 440 | E | A | -3.9773 | |
| 441 | K | A | -4.0440 | |
| 442 | E | A | -4.1723 | |
| 443 | R | A | -3.9505 | |
| 444 | I | A | 0.0000 | |
| 445 | M | A | -1.7929 | |
| 446 | N | A | -2.8950 | |
| 447 | E | A | -3.3896 | |
| 448 | E | A | -3.3914 | |
| 449 | D | A | -3.5836 | |
| 450 | P | A | -3.2398 | |
| 451 | E | A | -4.3011 | |
| 452 | K | A | -4.2484 | |
| 453 | Q | A | -4.0634 | |
| 454 | R | A | -4.3991 | |
| 455 | R | A | -4.0082 | |
| 456 | L | A | -2.7924 | |
| 457 | E | A | -2.7166 | |
| 458 | E | A | -2.9192 | |
| 459 | A | A | -2.2843 | |
| 460 | A | A | -2.4301 | |
| 461 | L | A | -1.8106 | |
| 462 | R | A | -3.5332 | |
| 463 | R | A | -4.3437 | |
| 464 | E | A | -4.4092 | |
| 465 | Q | A | -4.4030 | |
| 466 | K | A | -5.2310 | |
| 467 | K | A | -4.8005 | |
| 468 | L | A | -3.1774 | |
| 469 | E | A | -4.3124 | |
| 470 | K | A | -4.3832 | |
| 471 | K | A | -3.5967 | |
| 472 | Q | A | -2.7455 | |
| 473 | M | A | -2.1329 | |
| 474 | K | A | -2.2119 | |
| 475 | M | A | -1.7391 | |
| 476 | K | A | -2.1144 | |
| 477 | Q | A | -1.7938 | |
| 478 | I | A | -0.5350 | |
| 479 | K | A | -1.0240 | |
| 480 | V | A | 0.2138 | |
| 481 | K | A | -0.9987 | |
| 482 | A | A | -0.1898 | |
| 483 | M | A | 0.9365 |
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