| Chain sequence(s) |
A: QIFTVQELKERAKVFAKPIGASYQGILDQLDLVHQAKGRDQIAASFELNKKINDYIAEHPTSGRNQALTQLKEQVTSALFIGKMQVAQAGIDAIAQTRPELAARIFMVAIEEANGKHVGLTDMMVRWANEDPYLAPKHGYKGETPSDLGFDAKYHVDLGEHYADFKQWLETSQSNGLLSKATLDESTKTVHLGYSYQELQDLTGAESVQMAFYFLKEAAKKADPISGDSAEMILLKKFADQSYLSQLDSDRMDQIEGIYRSSHETDIDAWDRRYSGTGYDELTNKLASATGVDEQLAVLLDDRKGLLIGEVHGSDVNGLRFVNEQMDALKKQGVTVIGLEHLRSDLAQPLIDRYLATGVMSSELSAMLKTKHLDVTLFENARANGMRIVALDANSSARPNVQGTEHGLMYRAGAANNIAVEVLQNLPDGEKFVAIYGKAHLQSHKGIEGFVPGITHRLDLPALKVSDSNQFTVEQDDVSLRVVYDDVAN
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] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:01)
[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 | Q | A | -1.1298 | |
| 2 | I | A | -0.8981 | |
| 3 | F | A | 0.0000 | |
| 4 | T | A | -1.0805 | |
| 5 | V | A | -1.3613 | |
| 6 | Q | A | -2.3200 | |
| 7 | E | A | -2.6675 | |
| 8 | L | A | 0.0000 | |
| 9 | K | A | -3.1109 | |
| 10 | E | A | -4.0853 | |
| 11 | R | A | -4.0284 | |
| 12 | A | A | 0.0000 | |
| 13 | K | A | -2.8146 | |
| 14 | V | A | -0.7905 | |
| 15 | F | A | 1.0258 | |
| 16 | A | A | 0.0720 | |
| 17 | K | A | -1.2253 | |
| 18 | P | A | -0.4375 | |
| 19 | I | A | 0.1130 | |
| 20 | G | A | -0.2127 | |
| 21 | A | A | -0.1672 | |
| 22 | S | A | -0.8116 | |
| 23 | Y | A | 0.0000 | |
| 24 | Q | A | -1.0608 | |
| 25 | G | A | -1.1675 | |
| 26 | I | A | 0.0000 | |
| 27 | L | A | 0.0000 | |
| 28 | D | A | -2.0333 | |
| 29 | Q | A | 0.0000 | |
| 30 | L | A | 0.0000 | |
| 31 | D | A | -1.5434 | |
| 32 | L | A | -1.2784 | |
| 33 | V | A | 0.0000 | |
| 34 | H | A | -1.4251 | |
| 35 | Q | A | -2.0851 | |
| 36 | A | A | -2.5594 | |
| 37 | K | A | -3.3783 | |
| 38 | G | A | -2.8184 | |
| 39 | R | A | -3.7213 | |
| 40 | D | A | -3.8171 | |
| 41 | Q | A | -2.9724 | |
| 42 | I | A | -2.0502 | |
| 43 | A | A | -2.2699 | |
| 44 | A | A | 0.0000 | |
| 45 | S | A | 0.0000 | |
| 46 | F | A | 0.0000 | |
| 47 | E | A | -1.4788 | |
| 48 | L | A | 0.0000 | |
| 49 | N | A | 0.0000 | |
| 50 | K | A | -1.7426 | |
| 51 | K | A | -1.6908 | |
| 52 | I | A | 0.0000 | |
| 53 | N | A | -1.7715 | |
| 54 | D | A | -2.6289 | |
| 55 | Y | A | 0.0000 | |
| 56 | I | A | -1.1643 | |
| 57 | A | A | -1.4909 | |
| 58 | E | A | -2.3720 | |
| 59 | H | A | -1.4975 | |
| 60 | P | A | -0.8094 | |
| 61 | T | A | -0.5794 | |
| 62 | S | A | -0.7804 | |
| 63 | G | A | -1.2448 | |
| 64 | R | A | 0.0000 | |
| 65 | N | A | -0.9850 | |
| 66 | Q | A | -1.7519 | |
| 67 | A | A | 0.0000 | |
| 68 | L | A | 0.0000 | |
| 69 | T | A | -1.4406 | |
| 70 | Q | A | -1.9557 | |
| 71 | L | A | 0.0000 | |
| 72 | K | A | -1.8093 | |
| 73 | E | A | -2.3760 | |
| 74 | Q | A | -1.6009 | |
| 75 | V | A | 0.0000 | |
| 76 | T | A | -0.8436 | |
| 77 | S | A | -0.5772 | |
| 78 | A | A | 0.0307 | |
| 79 | L | A | 0.2728 | |
| 80 | F | A | 0.0000 | |
| 81 | I | A | 1.2211 | |
| 82 | G | A | -0.3920 | |
| 83 | K | A | -1.5005 | |
| 84 | M | A | 0.0000 | |
| 85 | Q | A | -0.5655 | |
| 86 | V | A | 0.6470 | |
| 87 | A | A | -0.2445 | |
| 88 | Q | A | -0.2494 | |
| 89 | A | A | -0.1159 | |
| 90 | G | A | -0.4950 | |
| 91 | I | A | 0.0000 | |
| 92 | D | A | -0.7940 | |
| 93 | A | A | -0.5820 | |
| 94 | I | A | 0.0000 | |
| 95 | A | A | 0.0000 | |
| 96 | Q | A | -1.3205 | |
| 97 | T | A | -0.9026 | |
| 98 | R | A | -1.2026 | |
| 99 | P | A | 0.0000 | |
| 100 | E | A | -2.6920 | |
| 101 | L | A | 0.0000 | |
| 102 | A | A | 0.0000 | |
| 103 | A | A | 0.0000 | |
| 104 | R | A | -1.5806 | |
| 105 | I | A | 0.0000 | |
| 106 | F | A | 0.0000 | |
| 107 | M | A | -0.3276 | |
| 108 | V | A | 0.0000 | |
| 109 | A | A | 0.0000 | |
| 110 | I | A | -0.5483 | |
| 111 | E | A | -1.6407 | |
| 112 | E | A | -1.4657 | |
| 113 | A | A | -1.5138 | |
| 114 | N | A | -2.2261 | |
| 115 | G | A | -1.5973 | |
| 116 | K | A | -1.7695 | |
| 117 | H | A | -0.8284 | |
| 118 | V | A | 0.4204 | |
| 119 | G | A | -0.3051 | |
| 120 | L | A | 0.0000 | |
| 121 | T | A | 0.0000 | |
| 122 | D | A | -1.5418 | |
| 123 | M | A | 0.0000 | |
| 124 | M | A | 0.0000 | |
| 125 | V | A | -0.9704 | |
| 126 | R | A | -1.2599 | |
| 127 | W | A | 0.0000 | |
| 128 | A | A | 0.0000 | |
| 129 | N | A | -1.5788 | |
| 130 | E | A | -1.4513 | |
| 131 | D | A | 0.0000 | |
| 132 | P | A | -0.8762 | |
| 133 | Y | A | 0.0000 | |
| 134 | L | A | 0.0000 | |
| 135 | A | A | -0.7062 | |
| 136 | P | A | -0.7010 | |
| 137 | K | A | -1.1676 | |
| 138 | H | A | -1.8438 | |
| 139 | G | A | 0.0000 | |
| 140 | Y | A | -1.7679 | |
| 141 | K | A | -2.6352 | |
| 142 | G | A | -2.1689 | |
| 143 | E | A | -2.5300 | |
| 144 | T | A | -1.9032 | |
| 145 | P | A | -1.5410 | |
| 146 | S | A | -1.5979 | |
| 147 | D | A | -2.1381 | |
| 148 | L | A | -1.4206 | |
| 149 | G | A | -1.4616 | |
| 150 | F | A | -1.4692 | |
| 151 | D | A | -2.2088 | |
| 152 | A | A | 0.0000 | |
| 153 | K | A | -1.0129 | |
| 154 | Y | A | 0.0000 | |
| 155 | H | A | 0.0000 | |
| 156 | V | A | 0.0000 | |
| 157 | D | A | -2.1589 | |
| 158 | L | A | 0.0000 | |
| 159 | G | A | -1.9864 | |
| 160 | E | A | -2.6009 | |
| 161 | H | A | -1.9341 | |
| 162 | Y | A | -1.8195 | |
| 163 | A | A | -1.3827 | |
| 164 | D | A | -1.7296 | |
| 165 | F | A | 0.0000 | |
| 166 | K | A | -2.1393 | |
| 167 | Q | A | -2.3014 | |
| 168 | W | A | -1.7354 | |
| 169 | L | A | 0.0000 | |
| 170 | E | A | -2.8314 | |
| 171 | T | A | -2.0463 | |
| 172 | S | A | 0.0000 | |
| 173 | Q | A | -2.0978 | |
| 174 | S | A | -1.7486 | |
| 175 | N | A | -2.1359 | |
| 176 | G | A | -1.6762 | |
| 177 | L | A | 0.0000 | |
| 178 | L | A | 0.0000 | |
| 179 | S | A | -1.4246 | |
| 180 | K | A | -1.5831 | |
| 181 | A | A | 0.0000 | |
| 182 | T | A | -0.5578 | |
| 183 | L | A | -0.9463 | |
| 184 | D | A | -1.8161 | |
| 185 | E | A | -2.4630 | |
| 186 | S | A | -1.4824 | |
| 187 | T | A | -1.5368 | |
| 188 | K | A | -2.4010 | |
| 189 | T | A | 0.0000 | |
| 190 | V | A | 0.0000 | |
| 191 | H | A | 0.0000 | |
| 192 | L | A | 0.0000 | |
| 193 | G | A | 0.0000 | |
| 194 | Y | A | 0.0000 | |
| 195 | S | A | 0.0000 | |
| 196 | Y | A | -0.2611 | |
| 197 | Q | A | -0.3821 | |
| 198 | E | A | 0.0000 | |
| 199 | L | A | 0.0000 | |
| 200 | Q | A | -0.7643 | |
| 201 | D | A | 0.0000 | |
| 202 | L | A | 0.0000 | |
| 203 | T | A | -1.3786 | |
| 204 | G | A | -1.7230 | |
| 205 | A | A | -1.6857 | |
| 206 | E | A | -2.1767 | |
| 207 | S | A | 0.0000 | |
| 208 | V | A | 0.0000 | |
| 209 | Q | A | -1.5917 | |
| 210 | M | A | -0.7586 | |
| 211 | A | A | 0.0000 | |
| 212 | F | A | 0.0000 | |
| 213 | Y | A | 0.1181 | |
| 214 | F | A | -0.5285 | |
| 215 | L | A | 0.0000 | |
| 216 | K | A | -1.1290 | |
| 217 | E | A | -1.7115 | |
| 218 | A | A | 0.0000 | |
| 219 | A | A | 0.0000 | |
| 220 | K | A | -2.2192 | |
| 221 | K | A | -2.5826 | |
| 222 | A | A | -1.5827 | |
| 223 | D | A | -0.9696 | |
| 224 | P | A | -0.4259 | |
| 225 | I | A | 1.2280 | |
| 226 | S | A | -0.1023 | |
| 227 | G | A | -0.6330 | |
| 228 | D | A | -1.1334 | |
| 229 | S | A | -1.0725 | |
| 230 | A | A | 0.0000 | |
| 231 | E | A | -0.6225 | |
| 232 | M | A | 0.0000 | |
| 233 | I | A | 0.0000 | |
| 234 | L | A | 0.0000 | |
| 235 | L | A | 0.0000 | |
| 236 | K | A | -1.2526 | |
| 237 | K | A | -1.6069 | |
| 238 | F | A | 0.0000 | |
| 239 | A | A | 0.0000 | |
| 240 | D | A | 0.0000 | |
| 241 | Q | A | -1.9155 | |
| 242 | S | A | -1.2939 | |
| 243 | Y | A | -1.1562 | |
| 244 | L | A | 0.0000 | |
| 245 | S | A | -1.4923 | |
| 246 | Q | A | -1.7108 | |
| 247 | L | A | -1.2239 | |
| 248 | D | A | -1.3686 | |
| 249 | S | A | -1.7996 | |
| 250 | D | A | -1.7767 | |
| 251 | R | A | 0.0000 | |
| 252 | M | A | 0.0000 | |
| 253 | D | A | -2.3084 | |
| 254 | Q | A | -1.3763 | |
| 255 | I | A | 0.0000 | |
| 256 | E | A | -1.1397 | |
| 257 | G | A | -1.0504 | |
| 258 | I | A | 0.0000 | |
| 259 | Y | A | 0.0000 | |
| 260 | R | A | -1.5405 | |
| 261 | S | A | -1.5236 | |
| 262 | S | A | -1.5302 | |
| 263 | H | A | -2.3664 | |
| 264 | E | A | -2.8487 | |
| 265 | T | A | -2.4187 | |
| 266 | D | A | -3.0283 | |
| 267 | I | A | -2.3562 | |
| 268 | D | A | -3.1288 | |
| 269 | A | A | -2.6945 | |
| 270 | W | A | 0.0000 | |
| 271 | D | A | -3.0538 | |
| 272 | R | A | -3.4393 | |
| 273 | R | A | -3.6365 | |
| 274 | Y | A | 0.0000 | |
| 275 | S | A | -2.4722 | |
| 276 | G | A | -1.9916 | |
| 277 | T | A | -2.0678 | |
| 278 | G | A | -2.7159 | |
| 279 | Y | A | -2.6616 | |
| 280 | D | A | -3.4271 | |
| 281 | E | A | -3.6698 | |
| 282 | L | A | 0.0000 | |
| 283 | T | A | -2.2835 | |
| 284 | N | A | -2.9463 | |
| 285 | K | A | -2.6317 | |
| 286 | L | A | 0.0000 | |
| 287 | A | A | -1.2294 | |
| 288 | S | A | -1.0862 | |
| 289 | A | A | 0.0000 | |
| 290 | T | A | -0.9798 | |
| 291 | G | A | -1.1925 | |
| 292 | V | A | -1.2411 | |
| 293 | D | A | -2.4929 | |
| 294 | E | A | -2.0926 | |
| 295 | Q | A | 0.0000 | |
| 296 | L | A | 0.0000 | |
| 297 | A | A | -1.6806 | |
| 298 | V | A | -1.3574 | |
| 299 | L | A | 0.0000 | |
| 300 | L | A | 0.0000 | |
| 301 | D | A | -2.7712 | |
| 302 | D | A | -2.8905 | |
| 303 | R | A | -2.1850 | |
| 304 | K | A | -2.2138 | |
| 305 | G | A | 0.0000 | |
| 306 | L | A | 0.0000 | |
| 307 | L | A | 0.0000 | |
| 308 | I | A | 0.0000 | |
| 309 | G | A | 0.0000 | |
| 310 | E | A | -0.4011 | |
| 311 | V | A | -0.4257 | |
| 312 | H | A | -1.0480 | |
| 313 | G | A | -0.8274 | |
| 314 | S | A | -0.4028 | |
| 315 | D | A | -0.1672 | |
| 316 | V | A | 0.9938 | |
| 317 | N | A | -0.1575 | |
| 318 | G | A | 0.0000 | |
| 319 | L | A | -0.0510 | |
| 320 | R | A | -1.0281 | |
| 321 | F | A | 0.0000 | |
| 322 | V | A | 0.0000 | |
| 323 | N | A | -1.9305 | |
| 324 | E | A | -2.4530 | |
| 325 | Q | A | -2.2742 | |
| 326 | M | A | 0.0000 | |
| 327 | D | A | -3.4769 | |
| 328 | A | A | -2.8128 | |
| 329 | L | A | 0.0000 | |
| 330 | K | A | -3.3531 | |
| 331 | K | A | -3.3597 | |
| 332 | Q | A | -2.4729 | |
| 333 | G | A | -1.9924 | |
| 334 | V | A | 0.0000 | |
| 335 | T | A | -1.3163 | |
| 336 | V | A | 0.0000 | |
| 337 | I | A | 0.0000 | |
| 338 | G | A | 0.0000 | |
| 339 | L | A | 0.0000 | |
| 340 | E | A | 0.0000 | |
| 341 | H | A | -0.7900 | |
| 342 | L | A | 0.0000 | |
| 343 | R | A | -0.9876 | |
| 344 | S | A | -1.0357 | |
| 345 | D | A | -1.7987 | |
| 346 | L | A | 0.0000 | |
| 347 | A | A | 0.0000 | |
| 348 | Q | A | -1.2800 | |
| 349 | P | A | -1.3432 | |
| 350 | L | A | -0.9909 | |
| 351 | I | A | 0.0000 | |
| 352 | D | A | -2.3163 | |
| 353 | R | A | -2.0983 | |
| 354 | Y | A | 0.0000 | |
| 355 | L | A | -1.2395 | |
| 356 | A | A | -0.8941 | |
| 357 | T | A | -0.2714 | |
| 358 | G | A | -0.1534 | |
| 359 | V | A | 1.4285 | |
| 360 | M | A | 0.5920 | |
| 361 | S | A | -0.1174 | |
| 362 | S | A | -0.4063 | |
| 363 | E | A | -0.7097 | |
| 364 | L | A | 0.0000 | |
| 365 | S | A | -0.6139 | |
| 366 | A | A | 0.0000 | |
| 367 | M | A | 0.0000 | |
| 368 | L | A | 0.0000 | |
| 369 | K | A | -2.3829 | |
| 370 | T | A | -1.5863 | |
| 371 | K | A | -1.6856 | |
| 372 | H | A | -2.0809 | |
| 373 | L | A | -1.5725 | |
| 374 | D | A | -2.1113 | |
| 375 | V | A | -0.7265 | |
| 376 | T | A | -1.1681 | |
| 377 | L | A | 0.0000 | |
| 378 | F | A | 0.0000 | |
| 379 | E | A | -2.0702 | |
| 380 | N | A | -1.9158 | |
| 381 | A | A | 0.0000 | |
| 382 | R | A | -1.8283 | |
| 383 | A | A | -1.1927 | |
| 384 | N | A | -1.8260 | |
| 385 | G | A | -1.4485 | |
| 386 | M | A | 0.0000 | |
| 387 | R | A | -1.2491 | |
| 388 | I | A | 0.0000 | |
| 389 | V | A | 0.0000 | |
| 390 | A | A | 0.0000 | |
| 391 | L | A | 0.0000 | |
| 392 | D | A | 0.0000 | |
| 393 | A | A | -0.7804 | |
| 394 | N | A | -0.9273 | |
| 395 | S | A | -1.1826 | |
| 396 | S | A | 0.0000 | |
| 397 | A | A | 0.0000 | |
| 398 | R | A | -2.0235 | |
| 399 | P | A | 0.0000 | |
| 400 | N | A | -2.1641 | |
| 401 | V | A | -1.6656 | |
| 402 | Q | A | -1.9861 | |
| 403 | G | A | -1.6369 | |
| 404 | T | A | -1.8146 | |
| 405 | E | A | -1.7675 | |
| 406 | H | A | 0.0000 | |
| 407 | G | A | 0.0000 | |
| 408 | L | A | -0.1597 | |
| 409 | M | A | 0.0000 | |
| 410 | Y | A | 0.0000 | |
| 411 | R | A | -0.6020 | |
| 412 | A | A | 0.0000 | |
| 413 | G | A | 0.0000 | |
| 414 | A | A | 0.0000 | |
| 415 | A | A | 0.0000 | |
| 416 | N | A | 0.0000 | |
| 417 | N | A | -0.6283 | |
| 418 | I | A | -0.3956 | |
| 419 | A | A | 0.0000 | |
| 420 | V | A | 0.0000 | |
| 421 | E | A | -2.2606 | |
| 422 | V | A | -1.0853 | |
| 423 | L | A | 0.0000 | |
| 424 | Q | A | -2.4834 | |
| 425 | N | A | -2.4296 | |
| 426 | L | A | -1.7627 | |
| 427 | P | A | -1.7664 | |
| 428 | D | A | -2.6338 | |
| 429 | G | A | -1.7590 | |
| 430 | E | A | -1.4659 | |
| 431 | K | A | -1.5243 | |
| 432 | F | A | 0.0000 | |
| 433 | V | A | 0.0000 | |
| 434 | A | A | 0.0000 | |
| 435 | I | A | 0.0000 | |
| 436 | Y | A | 0.0000 | |
| 437 | G | A | -0.7607 | |
| 438 | K | A | -1.1006 | |
| 439 | A | A | -0.5051 | |
| 440 | H | A | 0.0000 | |
| 441 | L | A | 0.0000 | |
| 442 | Q | A | -0.6589 | |
| 443 | S | A | 0.0000 | |
| 444 | H | A | 0.0000 | |
| 445 | K | A | 0.0172 | |
| 446 | G | A | 0.0000 | |
| 447 | I | A | 0.0000 | |
| 448 | E | A | -1.0433 | |
| 449 | G | A | -0.3044 | |
| 450 | F | A | 0.4470 | |
| 451 | V | A | 0.0000 | |
| 452 | P | A | 0.0000 | |
| 453 | G | A | 0.0000 | |
| 454 | I | A | 0.0000 | |
| 455 | T | A | 0.0000 | |
| 456 | H | A | 0.0000 | |
| 457 | R | A | -1.3206 | |
| 458 | L | A | -1.1647 | |
| 459 | D | A | -1.5956 | |
| 460 | L | A | 0.0000 | |
| 461 | P | A | 0.0000 | |
| 462 | A | A | 0.0000 | |
| 463 | L | A | 0.0000 | |
| 464 | K | A | -0.9354 | |
| 465 | V | A | 0.0000 | |
| 466 | S | A | -1.4877 | |
| 467 | D | A | -2.1269 | |
| 468 | S | A | -1.5526 | |
| 469 | N | A | -1.7511 | |
| 470 | Q | A | -1.7533 | |
| 471 | F | A | 0.0000 | |
| 472 | T | A | -0.8269 | |
| 473 | V | A | 0.0000 | |
| 474 | E | A | -1.8680 | |
| 475 | Q | A | -1.8165 | |
| 476 | D | A | -1.0131 | |
| 477 | D | A | -0.4821 | |
| 478 | V | A | 1.2157 | |
| 479 | S | A | 0.6295 | |
| 480 | L | A | 0.8195 | |
| 481 | R | A | 0.8288 | |
| 482 | V | A | 1.1690 | |
| 483 | V | A | 0.0501 | |
| 484 | Y | A | 0.0000 | |
| 485 | D | A | -2.4669 | |
| 486 | D | A | -2.8152 | |
| 487 | V | A | -1.5896 | |
| 488 | A | A | -1.2950 | |
| 489 | N | A | -1.6697 |
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