| Chain sequence(s) |
A: AENAPLIRETDLGRVEGIDGEVQSFLGIPFAAPPVGDLRWRPPQPPPPWSGIRDATSFAPDCIGSERLRAGSRASSASEDCLYLNIWTPRRDSKEKLPVMVWIYGGGFVGGTASAPYYDGTALARKGVVVVTFNYRVGVLGFLAHPELTKENPHHASGNYGLLDMIAALQWVQRNIAAFGGDPDRVTVFGESAGASAIGLLMTSPLAKGLFHRAILQSPGLARPLATLAQSEQQGLALGEDLDALRAMPAEELMKLAAKLIPASRQITEPRVIGPILDGYVLTEPDRDAFAAGRFNKVPVLVGSNAEEGRAFTDQWPIKTLAQYRAYLRQQFGDDAPSWLKCYPATTDEDVDEAIIRLFGDNQFNHGIDMLTEAYAKWQVPLWRYRFDGVPGTGRLPATHGDEIPYVFGNLGPSSVSMFSSLEGGAGEADTKLADTMMAAWARFAAHGSPGHPKQLHWPRFDRGGKAMIFGSRVALGDVHGDTPSGPCPSYP
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Mutated residues | IM261A |
| Energy difference between WT (input) and mutated protein (by FoldX) | -0.212797 kcal/mol |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:08)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:08)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:08)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:08)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:08)
[INFO] FoldX: Building mutant model (00:02:00)
[INFO] FoldX: Starting FoldX energy minimalization (00:02:07)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:03:56)
[INFO] Main: Simulation completed successfully. (00:03:59)
|
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 | -1.1642 | |
| 2 | E | A | -2.4239 | |
| 3 | N | A | -2.2373 | |
| 4 | A | A | -1.1254 | |
| 5 | P | A | -0.7688 | |
| 6 | L | A | -0.2334 | |
| 7 | I | A | -0.7206 | |
| 8 | R | A | -1.5551 | |
| 9 | E | A | -2.7604 | |
| 10 | T | A | -2.3672 | |
| 11 | D | A | -2.5325 | |
| 12 | L | A | -1.4519 | |
| 13 | G | A | -1.6561 | |
| 14 | R | A | -2.4392 | |
| 15 | V | A | 0.0000 | |
| 16 | E | A | -1.3374 | |
| 17 | G | A | 0.0000 | |
| 18 | I | A | 0.2955 | |
| 19 | D | A | -0.9916 | |
| 20 | G | A | -1.3150 | |
| 21 | E | A | -2.9100 | |
| 22 | V | A | -1.8291 | |
| 23 | Q | A | 0.0000 | |
| 24 | S | A | -0.2546 | |
| 25 | F | A | 0.0000 | |
| 26 | L | A | -0.0526 | |
| 27 | G | A | 0.0000 | |
| 28 | I | A | 0.0000 | |
| 29 | P | A | 0.0000 | |
| 30 | F | A | 0.0000 | |
| 31 | A | A | 0.0000 | |
| 32 | A | A | -0.3445 | |
| 33 | P | A | -0.2421 | |
| 34 | P | A | 0.0000 | |
| 35 | V | A | 0.1027 | |
| 36 | G | A | -1.0504 | |
| 37 | D | A | -1.9458 | |
| 38 | L | A | -0.7214 | |
| 39 | R | A | 0.0000 | |
| 40 | W | A | 0.0000 | |
| 41 | R | A | -0.6451 | |
| 42 | P | A | -0.3056 | |
| 43 | P | A | -0.4508 | |
| 44 | Q | A | -0.9391 | |
| 45 | P | A | -0.7109 | |
| 46 | P | A | 0.0000 | |
| 47 | P | A | -0.4524 | |
| 48 | P | A | -0.7442 | |
| 49 | W | A | -0.4004 | |
| 50 | S | A | -0.3418 | |
| 51 | G | A | -0.3984 | |
| 52 | I | A | -0.2398 | |
| 53 | R | A | -1.2749 | |
| 54 | D | A | -1.9772 | |
| 55 | A | A | 0.0000 | |
| 56 | T | A | -0.5753 | |
| 57 | S | A | -0.4547 | |
| 58 | F | A | -0.1300 | |
| 59 | A | A | -0.1804 | |
| 60 | P | A | -0.3474 | |
| 61 | D | A | 0.0000 | |
| 62 | C | A | 0.0000 | |
| 63 | I | A | -0.4038 | |
| 64 | G | A | -0.7754 | |
| 65 | S | A | -1.3220 | |
| 66 | E | A | -2.6502 | |
| 67 | R | A | -2.6513 | |
| 68 | L | A | -1.1895 | |
| 69 | R | A | -1.4994 | |
| 70 | A | A | -1.3008 | |
| 71 | G | A | -1.1120 | |
| 72 | S | A | -0.9927 | |
| 73 | R | A | -1.2228 | |
| 74 | A | A | -0.7093 | |
| 75 | S | A | -0.5420 | |
| 76 | S | A | -0.3532 | |
| 77 | A | A | -0.4206 | |
| 78 | S | A | -0.1900 | |
| 79 | E | A | -0.2008 | |
| 80 | D | A | -0.4110 | |
| 81 | C | A | 0.0000 | |
| 82 | L | A | 0.0000 | |
| 83 | Y | A | 0.1050 | |
| 84 | L | A | 0.0000 | |
| 85 | N | A | 0.0000 | |
| 86 | I | A | 0.0000 | |
| 87 | W | A | 0.0000 | |
| 88 | T | A | 0.0000 | |
| 89 | P | A | 0.0000 | |
| 90 | R | A | -3.6169 | |
| 91 | R | A | -4.2636 | |
| 92 | D | A | -3.7041 | |
| 93 | S | A | -3.4130 | |
| 94 | K | A | -3.6434 | |
| 95 | E | A | -3.6672 | |
| 96 | K | A | -2.6142 | |
| 97 | L | A | -1.3497 | |
| 98 | P | A | 0.0000 | |
| 99 | V | A | 0.0000 | |
| 100 | M | A | 0.0000 | |
| 101 | V | A | 0.0000 | |
| 102 | W | A | 0.0000 | |
| 103 | I | A | 0.0000 | |
| 104 | Y | A | 0.0000 | |
| 105 | G | A | 0.0000 | |
| 106 | G | A | -0.2112 | |
| 107 | G | A | -0.1976 | |
| 108 | F | A | 0.0000 | |
| 109 | V | A | 0.1105 | |
| 110 | G | A | 0.0000 | |
| 111 | G | A | 0.0000 | |
| 112 | T | A | 0.0000 | |
| 113 | A | A | 0.0000 | |
| 114 | S | A | 0.0000 | |
| 115 | A | A | 0.0000 | |
| 116 | P | A | -0.5574 | |
| 117 | Y | A | 0.0000 | |
| 118 | Y | A | 0.0000 | |
| 119 | D | A | -0.3052 | |
| 120 | G | A | 0.0000 | |
| 121 | T | A | -0.8631 | |
| 122 | A | A | -1.0502 | |
| 123 | L | A | 0.0000 | |
| 124 | A | A | 0.0000 | |
| 125 | R | A | -2.6253 | |
| 126 | K | A | -1.8767 | |
| 127 | G | A | -1.5187 | |
| 128 | V | A | 0.0000 | |
| 129 | V | A | 0.0000 | |
| 130 | V | A | 0.0000 | |
| 131 | V | A | 0.0000 | |
| 132 | T | A | 0.0000 | |
| 133 | F | A | 0.0000 | |
| 134 | N | A | 0.0000 | |
| 135 | Y | A | 0.0000 | |
| 136 | R | A | 0.0000 | |
| 137 | V | A | 0.0000 | |
| 138 | G | A | 0.0000 | |
| 139 | V | A | 0.0000 | |
| 140 | L | A | 0.0000 | |
| 141 | G | A | 0.0000 | |
| 142 | F | A | 0.0000 | |
| 143 | L | A | 0.0000 | |
| 144 | A | A | 0.0000 | |
| 145 | H | A | 0.0000 | |
| 146 | P | A | -1.5576 | |
| 147 | E | A | -2.5607 | |
| 148 | L | A | 0.0000 | |
| 149 | T | A | 0.0000 | |
| 150 | K | A | -3.0340 | |
| 151 | E | A | -2.5440 | |
| 152 | N | A | 0.0000 | |
| 153 | P | A | -1.5470 | |
| 154 | H | A | -1.8327 | |
| 155 | H | A | -2.2879 | |
| 156 | A | A | 0.0000 | |
| 157 | S | A | 0.0000 | |
| 158 | G | A | 0.0000 | |
| 159 | N | A | 0.0000 | |
| 160 | Y | A | 0.0000 | |
| 161 | G | A | 0.0000 | |
| 162 | L | A | 0.0000 | |
| 163 | L | A | 0.2502 | |
| 164 | D | A | 0.0000 | |
| 165 | M | A | 0.0000 | |
| 166 | I | A | -0.0006 | |
| 167 | A | A | -0.2335 | |
| 168 | A | A | 0.0000 | |
| 169 | L | A | 0.0000 | |
| 170 | Q | A | -1.0082 | |
| 171 | W | A | 0.0000 | |
| 172 | V | A | 0.0000 | |
| 173 | Q | A | -1.3704 | |
| 174 | R | A | -1.6205 | |
| 175 | N | A | 0.0000 | |
| 176 | I | A | 0.0000 | |
| 177 | A | A | -0.8763 | |
| 178 | A | A | -1.0136 | |
| 179 | F | A | 0.0000 | |
| 180 | G | A | -1.6533 | |
| 181 | G | A | 0.0000 | |
| 182 | D | A | -1.6130 | |
| 183 | P | A | -1.6171 | |
| 184 | D | A | -2.2829 | |
| 185 | R | A | -1.6560 | |
| 186 | V | A | 0.0000 | |
| 187 | T | A | 0.0000 | |
| 188 | V | A | 0.0000 | |
| 189 | F | A | 0.0000 | |
| 190 | G | A | 0.0000 | |
| 191 | E | A | 0.0000 | |
| 192 | S | A | -0.1118 | |
| 193 | A | A | 0.0000 | |
| 194 | G | A | 0.0000 | |
| 195 | A | A | 0.0000 | |
| 196 | S | A | 0.0000 | |
| 197 | A | A | 0.0000 | |
| 198 | I | A | 0.0000 | |
| 199 | G | A | 0.0000 | |
| 200 | L | A | 0.0000 | |
| 201 | L | A | 0.0000 | |
| 202 | M | A | 0.0000 | |
| 203 | T | A | -1.1796 | |
| 204 | S | A | 0.0000 | |
| 205 | P | A | -0.7341 | |
| 206 | L | A | -0.0647 | |
| 207 | A | A | 0.0000 | |
| 208 | K | A | -1.9960 | |
| 209 | G | A | -1.7155 | |
| 210 | L | A | -1.0837 | |
| 211 | F | A | 0.0000 | |
| 212 | H | A | -1.2539 | |
| 213 | R | A | -0.6525 | |
| 214 | A | A | 0.0000 | |
| 215 | I | A | 0.0000 | |
| 216 | L | A | 0.0000 | |
| 217 | Q | A | 0.0000 | |
| 218 | S | A | 0.0000 | |
| 219 | P | A | 0.0000 | |
| 220 | G | A | -0.2379 | |
| 221 | L | A | 0.0000 | |
| 222 | A | A | 0.0000 | |
| 223 | R | A | -1.0962 | |
| 224 | P | A | -1.0701 | |
| 225 | L | A | -0.5769 | |
| 226 | A | A | 0.0000 | |
| 227 | T | A | -0.2759 | |
| 228 | L | A | -0.4250 | |
| 229 | A | A | -0.7237 | |
| 230 | Q | A | -1.4018 | |
| 231 | S | A | 0.0000 | |
| 232 | E | A | -1.0800 | |
| 233 | Q | A | -1.6678 | |
| 234 | Q | A | -0.7978 | |
| 235 | G | A | 0.0000 | |
| 236 | L | A | -0.7906 | |
| 237 | A | A | -0.5239 | |
| 238 | L | A | 0.0000 | |
| 239 | G | A | -1.3674 | |
| 240 | E | A | -2.6720 | |
| 241 | D | A | -2.7247 | |
| 242 | L | A | 0.0000 | |
| 243 | D | A | -2.7857 | |
| 244 | A | A | -1.4930 | |
| 245 | L | A | 0.0000 | |
| 246 | R | A | -1.2551 | |
| 247 | A | A | -0.6774 | |
| 248 | M | A | -0.7816 | |
| 249 | P | A | -1.0460 | |
| 250 | A | A | 0.0000 | |
| 251 | E | A | -2.6946 | |
| 252 | E | A | -2.5350 | |
| 253 | L | A | 0.0000 | |
| 254 | M | A | -1.7099 | |
| 255 | K | A | -2.6349 | |
| 256 | L | A | -1.3666 | |
| 257 | A | A | 0.0000 | |
| 258 | A | A | -1.0975 | |
| 259 | K | A | -1.6896 | |
| 260 | L | A | -0.5356 | |
| 261 | M | A | -0.3184 | mutated: IM261A |
| 262 | P | A | -0.6348 | |
| 263 | A | A | -0.3970 | |
| 264 | S | A | -0.5472 | |
| 265 | R | A | -1.2258 | |
| 266 | Q | A | -1.7268 | |
| 267 | I | A | 0.0000 | |
| 268 | T | A | -1.5219 | |
| 269 | E | A | -2.4277 | |
| 270 | P | A | -1.6965 | |
| 271 | R | A | -1.6782 | |
| 272 | V | A | -0.6010 | |
| 273 | I | A | 0.0000 | |
| 274 | G | A | 0.0000 | |
| 275 | P | A | -0.0516 | |
| 276 | I | A | 0.0000 | |
| 277 | L | A | 0.0473 | |
| 278 | D | A | 0.0000 | |
| 279 | G | A | -0.5907 | |
| 280 | Y | A | -0.2786 | |
| 281 | V | A | 0.0000 | |
| 282 | L | A | 0.0000 | |
| 283 | T | A | -0.3408 | |
| 284 | E | A | -1.0191 | |
| 285 | P | A | -0.9610 | |
| 286 | D | A | 0.0000 | |
| 287 | R | A | -1.4068 | |
| 288 | D | A | -2.1956 | |
| 289 | A | A | 0.0000 | |
| 290 | F | A | 0.0000 | |
| 291 | A | A | -1.3261 | |
| 292 | A | A | -1.1467 | |
| 293 | G | A | -1.4878 | |
| 294 | R | A | -2.2522 | |
| 295 | F | A | 0.0000 | |
| 296 | N | A | -1.7617 | |
| 297 | K | A | -2.1196 | |
| 298 | V | A | -0.7909 | |
| 299 | P | A | -0.5231 | |
| 300 | V | A | 0.0000 | |
| 301 | L | A | 0.0000 | |
| 302 | V | A | 0.0000 | |
| 303 | G | A | 0.0000 | |
| 304 | S | A | 0.0000 | |
| 305 | N | A | 0.0000 | |
| 306 | A | A | -0.4832 | |
| 307 | E | A | -0.7241 | |
| 308 | E | A | 0.0000 | |
| 309 | G | A | 0.0000 | |
| 310 | R | A | -1.4628 | |
| 311 | A | A | -0.4896 | |
| 312 | F | A | -0.2575 | |
| 313 | T | A | 0.0000 | |
| 314 | D | A | -2.9971 | |
| 315 | Q | A | -2.2873 | |
| 316 | W | A | -1.5017 | |
| 317 | P | A | -1.1460 | |
| 318 | I | A | -1.7222 | |
| 319 | K | A | -3.1626 | |
| 320 | T | A | -2.1779 | |
| 321 | L | A | -1.5884 | |
| 322 | A | A | -0.7970 | |
| 323 | Q | A | -1.3853 | |
| 324 | Y | A | 0.0000 | |
| 325 | R | A | -1.5555 | |
| 326 | A | A | -1.4767 | |
| 327 | Y | A | 0.0000 | |
| 328 | L | A | 0.0000 | |
| 329 | R | A | -3.4417 | |
| 330 | Q | A | -2.5819 | |
| 331 | Q | A | 0.0000 | |
| 332 | F | A | 0.0000 | |
| 333 | G | A | -2.6905 | |
| 334 | D | A | -3.0766 | |
| 335 | D | A | -2.4268 | |
| 336 | A | A | 0.0000 | |
| 337 | P | A | -1.7724 | |
| 338 | S | A | -1.2837 | |
| 339 | W | A | 0.0000 | |
| 340 | L | A | -1.2519 | |
| 341 | K | A | -1.7767 | |
| 342 | C | A | -1.0244 | |
| 343 | Y | A | 0.0000 | |
| 344 | P | A | -1.2096 | |
| 345 | A | A | 0.0000 | |
| 346 | T | A | -0.7956 | |
| 347 | T | A | -1.6403 | |
| 348 | D | A | -3.0938 | |
| 349 | E | A | -3.7236 | |
| 350 | D | A | -3.2281 | |
| 351 | V | A | 0.0000 | |
| 352 | D | A | -4.4242 | |
| 353 | E | A | -3.7042 | |
| 354 | A | A | 0.0000 | |
| 355 | I | A | 0.0000 | |
| 356 | I | A | 0.0000 | |
| 357 | R | A | -1.8267 | |
| 358 | L | A | 0.0000 | |
| 359 | F | A | 0.0000 | |
| 360 | G | A | 0.0000 | |
| 361 | D | A | -0.6724 | |
| 362 | N | A | 0.0000 | |
| 363 | Q | A | 0.0000 | |
| 364 | F | A | 0.0000 | |
| 365 | N | A | -0.5623 | |
| 366 | H | A | -0.5125 | |
| 367 | G | A | 0.0000 | |
| 368 | I | A | 0.0000 | |
| 369 | D | A | -1.0924 | |
| 370 | M | A | -0.7063 | |
| 371 | L | A | 0.0000 | |
| 372 | T | A | 0.0000 | |
| 373 | E | A | -2.4284 | |
| 374 | A | A | 0.0000 | |
| 375 | Y | A | 0.0000 | |
| 376 | A | A | -2.2697 | |
| 377 | K | A | -2.3294 | |
| 378 | W | A | -1.3177 | |
| 379 | Q | A | -1.9497 | |
| 380 | V | A | -1.1350 | |
| 381 | P | A | -1.0720 | |
| 382 | L | A | 0.0000 | |
| 383 | W | A | 0.0000 | |
| 384 | R | A | 0.0000 | |
| 385 | Y | A | 0.0000 | |
| 386 | R | A | -0.5225 | |
| 387 | F | A | 0.0000 | |
| 388 | D | A | -0.7484 | |
| 389 | G | A | 0.0000 | |
| 390 | V | A | -0.4436 | |
| 391 | P | A | -0.4388 | |
| 392 | G | A | -0.9239 | |
| 393 | T | A | -0.8183 | |
| 394 | G | A | -1.0367 | |
| 395 | R | A | -0.8574 | |
| 396 | L | A | 0.1577 | |
| 397 | P | A | -0.0819 | |
| 398 | A | A | 0.0000 | |
| 399 | T | A | -0.1046 | |
| 400 | H | A | -0.1565 | |
| 401 | G | A | 0.0000 | |
| 402 | D | A | 0.0000 | |
| 403 | E | A | 0.0000 | |
| 404 | I | A | 0.0000 | |
| 405 | P | A | 0.0000 | |
| 406 | Y | A | 0.0000 | |
| 407 | V | A | 0.0000 | |
| 408 | F | A | 0.0000 | |
| 409 | G | A | -0.8032 | |
| 410 | N | A | -0.3411 | |
| 411 | L | A | -0.1318 | |
| 412 | G | A | -0.3792 | |
| 413 | P | A | -0.2990 | |
| 414 | S | A | -0.2725 | |
| 415 | S | A | 0.0000 | |
| 416 | V | A | -0.3741 | |
| 417 | S | A | -0.3670 | |
| 418 | M | A | 0.2102 | |
| 419 | F | A | 0.0000 | |
| 420 | S | A | -0.5243 | |
| 421 | S | A | 0.0000 | |
| 422 | L | A | 0.0000 | |
| 423 | E | A | -2.0600 | |
| 424 | G | A | -1.5861 | |
| 425 | G | A | -1.0157 | |
| 426 | A | A | -0.9266 | |
| 427 | G | A | -1.3594 | |
| 428 | E | A | -2.3465 | |
| 429 | A | A | -1.9178 | |
| 430 | D | A | 0.0000 | |
| 431 | T | A | -1.9975 | |
| 432 | K | A | -2.8270 | |
| 433 | L | A | 0.0000 | |
| 434 | A | A | 0.0000 | |
| 435 | D | A | -2.4344 | |
| 436 | T | A | -1.3784 | |
| 437 | M | A | 0.0000 | |
| 438 | M | A | 0.0000 | |
| 439 | A | A | -0.9699 | |
| 440 | A | A | 0.0000 | |
| 441 | W | A | 0.0000 | |
| 442 | A | A | 0.0000 | |
| 443 | R | A | -0.7878 | |
| 444 | F | A | 0.0000 | |
| 445 | A | A | 0.0000 | |
| 446 | A | A | -0.7105 | |
| 447 | H | A | -1.1879 | |
| 448 | G | A | 0.0000 | |
| 449 | S | A | -0.8858 | |
| 450 | P | A | 0.0000 | |
| 451 | G | A | -1.5024 | |
| 452 | H | A | -1.7270 | |
| 453 | P | A | -1.8438 | |
| 454 | K | A | -2.7110 | |
| 455 | Q | A | -2.4337 | |
| 456 | L | A | 0.0000 | |
| 457 | H | A | -1.7568 | |
| 458 | W | A | 0.0000 | |
| 459 | P | A | -1.6254 | |
| 460 | R | A | -2.6486 | |
| 461 | F | A | -2.4158 | |
| 462 | D | A | -3.7360 | |
| 463 | R | A | -3.7317 | |
| 464 | G | A | -2.3241 | |
| 465 | G | A | -2.5640 | |
| 466 | K | A | -2.3529 | |
| 467 | A | A | 0.0000 | |
| 468 | M | A | 0.0000 | |
| 469 | I | A | -0.4805 | |
| 470 | F | A | 0.0000 | |
| 471 | G | A | 0.0000 | |
| 472 | S | A | -1.0776 | |
| 473 | R | A | -1.6261 | |
| 474 | V | A | -0.3248 | |
| 475 | A | A | -0.2125 | |
| 476 | L | A | -0.3399 | |
| 477 | G | A | -0.9968 | |
| 478 | D | A | -2.4774 | |
| 479 | V | A | -1.4348 | |
| 480 | H | A | -1.6516 | |
| 481 | G | A | -1.9442 | |
| 482 | D | A | -2.3627 | |
| 483 | T | A | -1.6018 | |
| 484 | P | A | -1.0416 | |
| 485 | S | A | -0.8963 | |
| 486 | G | A | -0.8358 | |
| 487 | P | A | -0.6147 | |
| 488 | C | A | -0.3309 | |
| 489 | P | A | -0.4830 | |
| 490 | S | A | -0.2305 | |
| 491 | Y | A | -0.1809 | |
| 492 | P | A | -0.5433 |
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