| Chain sequence(s) |
A: MPGIKRILTVTILALCLPSPGNAQAQCTNGFDLDRQSGQCLDIDECRTIPEACRGDMMCVNQNGGYLCIPRTNPVYRGPYSNPYSTPYSGPYPAAAPPLSAPNYPTISRPLICRFGYQMDESNQCVDVDECATDSHQCNPTQICINTEGGYTCSCTDGYWLLEGQCLDIDECRYGYCQQLCANVPGSYSCTCNPGFTLNEDGRSCQDVNECATENPCVQTCVNTYGSFICRCDPGYELEEDGVHCSDMDECSFSEFLCQHECVNQPGTYFCSCPPGYILLDDNRSCQDINECEHRNHTCNLQQTCYNLQGGFKCIDPIRCEEPYLRISDNRCMCPAENPGCRDQPFTILYRDMDVVSGRSVPADIFQMQATTRYPGAYYIFQIKSGNEGREFYMRQTGPISATLVMTRPIKGPREIQLDLEMITVNTVINFRGSSVIRLRIYVSQYPF
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Mutated residues | SP227A |
| Energy difference between WT (input) and mutated protein (by FoldX) | 6.91999 kcal/mol
CAUTION: Your mutation/s can destabilize the protein structure |
| 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] FoldX: Building mutant model (00:01:00)
[INFO] FoldX: Starting FoldX energy minimalization (00:01:03)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:02:02)
[INFO] Main: Simulation completed successfully. (00:02:05)
|
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 | 0.0557 | |
| 2 | P | A | -1.3717 | |
| 3 | G | A | -1.8150 | |
| 4 | I | A | 0.0000 | |
| 5 | K | A | -2.7331 | |
| 6 | R | A | -2.1833 | |
| 7 | I | A | 0.3665 | |
| 8 | L | A | 1.3874 | |
| 9 | T | A | 0.0534 | |
| 10 | V | A | 0.7363 | |
| 11 | T | A | 1.6676 | |
| 12 | I | A | 2.5780 | |
| 13 | L | A | 1.1385 | |
| 14 | A | A | 1.2415 | |
| 15 | L | A | 1.9322 | |
| 16 | C | A | 1.4869 | |
| 17 | L | A | 0.5675 | |
| 18 | P | A | -0.7789 | |
| 19 | S | A | -0.9218 | |
| 20 | P | A | -0.9121 | |
| 21 | G | A | -1.5245 | |
| 22 | N | A | -2.5063 | |
| 23 | A | A | -1.8491 | |
| 24 | Q | A | -1.7737 | |
| 25 | A | A | 0.0000 | |
| 26 | Q | A | -0.9139 | |
| 27 | C | A | -0.1754 | |
| 28 | T | A | -0.6177 | |
| 29 | N | A | -2.0167 | |
| 30 | G | A | -2.1739 | |
| 31 | F | A | 0.0000 | |
| 32 | D | A | -0.5872 | |
| 33 | L | A | -0.2873 | |
| 34 | D | A | -1.3002 | |
| 35 | R | A | -2.4024 | |
| 36 | Q | A | -2.1135 | |
| 37 | S | A | -1.6981 | |
| 38 | G | A | 0.0000 | |
| 39 | Q | A | -1.2931 | |
| 40 | C | A | 0.0000 | |
| 41 | L | A | 0.5021 | |
| 42 | D | A | -1.2452 | |
| 43 | I | A | -1.1398 | |
| 44 | D | A | -2.6833 | |
| 45 | E | A | -2.1408 | |
| 46 | C | A | -1.6449 | |
| 47 | R | A | -2.2843 | |
| 48 | T | A | -0.6946 | |
| 49 | I | A | 1.1282 | |
| 50 | P | A | -0.6245 | |
| 51 | E | A | -2.2032 | |
| 52 | A | A | -0.8288 | |
| 53 | C | A | -0.3726 | |
| 54 | R | A | -1.1372 | |
| 55 | G | A | -1.2707 | |
| 56 | D | A | -1.1986 | |
| 57 | M | A | 0.0000 | |
| 58 | M | A | 0.2199 | |
| 59 | C | A | -0.3491 | |
| 60 | V | A | 0.1353 | |
| 61 | N | A | -2.2331 | |
| 62 | Q | A | -2.5396 | |
| 63 | N | A | -2.7376 | |
| 64 | G | A | -1.4749 | |
| 65 | G | A | -1.5071 | |
| 66 | Y | A | -0.7766 | |
| 67 | L | A | 0.5029 | |
| 68 | C | A | 0.5421 | |
| 69 | I | A | 0.7659 | |
| 70 | P | A | 0.0000 | |
| 71 | R | A | -1.1368 | |
| 72 | T | A | -0.4151 | |
| 73 | N | A | -0.1122 | |
| 74 | P | A | 0.0000 | |
| 75 | V | A | 1.2532 | |
| 76 | Y | A | 0.9116 | |
| 77 | R | A | -0.5347 | |
| 78 | G | A | -0.7338 | |
| 79 | P | A | -0.1770 | |
| 80 | Y | A | 0.5794 | |
| 81 | S | A | 0.0479 | |
| 82 | N | A | 0.2672 | |
| 83 | P | A | 0.4687 | |
| 84 | Y | A | 1.4326 | |
| 85 | S | A | 1.0069 | |
| 86 | T | A | 0.7675 | |
| 87 | P | A | 0.0000 | |
| 88 | Y | A | 1.2800 | |
| 89 | S | A | 0.1891 | |
| 90 | G | A | -0.3139 | |
| 91 | P | A | -0.1888 | |
| 92 | Y | A | 0.3133 | |
| 93 | P | A | -0.1439 | |
| 94 | A | A | -0.0874 | |
| 95 | A | A | -0.0398 | |
| 96 | A | A | 0.3170 | |
| 97 | P | A | 0.2809 | |
| 98 | P | A | 0.4964 | |
| 99 | L | A | 0.3867 | |
| 100 | S | A | -0.0188 | |
| 101 | A | A | -0.4505 | |
| 102 | P | A | -0.7672 | |
| 103 | N | A | -1.2384 | |
| 104 | Y | A | -0.2894 | |
| 105 | P | A | 0.0546 | |
| 106 | T | A | 0.3522 | |
| 107 | I | A | 1.3425 | |
| 108 | S | A | -0.0850 | |
| 109 | R | A | -0.2535 | |
| 110 | P | A | 0.2979 | |
| 111 | L | A | 0.9628 | |
| 112 | I | A | 1.0981 | |
| 113 | C | A | 0.0000 | |
| 114 | R | A | -0.0968 | |
| 115 | F | A | 1.2453 | |
| 116 | G | A | -0.1148 | |
| 117 | Y | A | 0.0000 | |
| 118 | Q | A | -1.3169 | |
| 119 | M | A | -1.5148 | |
| 120 | D | A | -1.8975 | |
| 121 | E | A | 0.0000 | |
| 122 | S | A | -0.8083 | |
| 123 | N | A | -1.9204 | |
| 124 | Q | A | -1.7487 | |
| 125 | C | A | -0.8770 | |
| 126 | V | A | -0.5665 | |
| 127 | D | A | -2.0022 | |
| 128 | V | A | -1.5836 | |
| 129 | D | A | -2.8228 | |
| 130 | E | A | -2.8219 | |
| 131 | C | A | 0.0000 | |
| 132 | A | A | -1.2259 | |
| 133 | T | A | -1.3310 | |
| 134 | D | A | -2.1159 | |
| 135 | S | A | -1.4632 | |
| 136 | H | A | -1.6651 | |
| 137 | Q | A | -1.1659 | |
| 138 | C | A | -0.6261 | |
| 139 | N | A | -0.7454 | |
| 140 | P | A | -0.7709 | |
| 141 | T | A | -0.7245 | |
| 142 | Q | A | -0.5736 | |
| 143 | I | A | 0.0000 | |
| 144 | C | A | 0.0000 | |
| 145 | I | A | 0.0000 | |
| 146 | N | A | -1.9475 | |
| 147 | T | A | 0.0000 | |
| 148 | E | A | -2.7051 | |
| 149 | G | A | -1.7641 | |
| 150 | G | A | -1.2128 | |
| 151 | Y | A | -0.8353 | |
| 152 | T | A | -0.5227 | |
| 153 | C | A | -0.5203 | |
| 154 | S | A | -0.7212 | |
| 155 | C | A | -0.1114 | |
| 156 | T | A | -0.9206 | |
| 157 | D | A | -1.4370 | |
| 158 | G | A | -0.8681 | |
| 159 | Y | A | 0.2529 | |
| 160 | W | A | 1.3312 | |
| 161 | L | A | 0.0000 | |
| 162 | L | A | 1.3485 | |
| 163 | E | A | 0.0000 | |
| 164 | G | A | 0.0000 | |
| 165 | Q | A | -0.9639 | |
| 166 | C | A | 0.0000 | |
| 167 | L | A | 0.0000 | |
| 168 | D | A | -2.6273 | |
| 169 | I | A | 0.0000 | |
| 170 | D | A | -2.6785 | |
| 171 | E | A | -1.8476 | |
| 172 | C | A | -1.2790 | |
| 173 | R | A | -1.6424 | |
| 174 | Y | A | -0.4479 | |
| 175 | G | A | -0.5451 | |
| 176 | Y | A | -0.5406 | |
| 177 | C | A | -0.5756 | |
| 178 | Q | A | -1.4045 | |
| 179 | Q | A | -0.2760 | |
| 180 | L | A | 0.9401 | |
| 181 | C | A | 0.5282 | |
| 182 | A | A | 0.2298 | |
| 183 | N | A | -1.0699 | |
| 184 | V | A | -0.2514 | |
| 185 | P | A | -0.6407 | |
| 186 | G | A | -0.8100 | |
| 187 | S | A | 0.0000 | |
| 188 | Y | A | 0.0000 | |
| 189 | S | A | 0.0000 | |
| 190 | C | A | 0.0000 | |
| 191 | T | A | 1.0903 | |
| 192 | C | A | 1.0696 | |
| 193 | N | A | 0.0000 | |
| 194 | P | A | 0.0000 | |
| 195 | G | A | 0.0000 | |
| 196 | F | A | 0.9041 | |
| 197 | T | A | 0.5113 | |
| 198 | L | A | 0.0000 | |
| 199 | N | A | 0.0000 | |
| 200 | E | A | 0.0000 | |
| 201 | D | A | -1.6279 | |
| 202 | G | A | 0.0000 | |
| 203 | R | A | -2.0462 | |
| 204 | S | A | 0.0000 | |
| 205 | C | A | -1.2621 | |
| 206 | Q | A | -1.5408 | |
| 207 | D | A | -2.0908 | |
| 208 | V | A | -1.0681 | |
| 209 | N | A | -2.1522 | |
| 210 | E | A | 0.0000 | |
| 211 | C | A | 0.0000 | |
| 212 | A | A | -1.0397 | |
| 213 | T | A | -1.3329 | |
| 214 | E | A | -2.8185 | |
| 215 | N | A | -2.2596 | |
| 216 | P | A | 0.0000 | |
| 217 | C | A | 0.0000 | |
| 218 | V | A | 0.0000 | |
| 219 | Q | A | 0.0000 | |
| 220 | T | A | 0.0000 | |
| 221 | C | A | 0.0000 | |
| 222 | V | A | 0.0000 | |
| 223 | N | A | -0.1514 | |
| 224 | T | A | 0.2109 | |
| 225 | Y | A | 0.9706 | |
| 226 | G | A | 0.0000 | |
| 227 | P | A | 0.0017 | mutated: SP227A |
| 228 | F | A | -0.0128 | |
| 229 | I | A | -0.4909 | |
| 230 | C | A | -0.6672 | |
| 231 | R | A | -1.9368 | |
| 232 | C | A | -1.4958 | |
| 233 | D | A | -2.5370 | |
| 234 | P | A | -1.9651 | |
| 235 | G | A | -2.0140 | |
| 236 | Y | A | 0.0000 | |
| 237 | E | A | -3.1357 | |
| 238 | L | A | -2.7867 | |
| 239 | E | A | -3.7116 | |
| 240 | E | A | -3.9566 | |
| 241 | D | A | -3.3211 | |
| 242 | G | A | -2.2367 | |
| 243 | V | A | 0.0000 | |
| 244 | H | A | -2.2131 | |
| 245 | C | A | 0.0000 | |
| 246 | S | A | -1.5598 | |
| 247 | D | A | -1.9427 | |
| 248 | M | A | -1.9201 | |
| 249 | D | A | -2.2951 | |
| 250 | E | A | 0.0000 | |
| 251 | C | A | -1.2978 | |
| 252 | S | A | -1.2691 | |
| 253 | F | A | 0.0000 | |
| 254 | S | A | -0.8671 | |
| 255 | E | A | -0.9227 | |
| 256 | F | A | -1.3733 | |
| 257 | L | A | -0.7457 | |
| 258 | C | A | -0.3609 | |
| 259 | Q | A | -1.5152 | |
| 260 | H | A | -1.8327 | |
| 261 | E | A | -2.5354 | |
| 262 | C | A | -1.1935 | |
| 263 | V | A | -0.4752 | |
| 264 | N | A | -1.5837 | |
| 265 | Q | A | -2.0387 | |
| 266 | P | A | -1.4555 | |
| 267 | G | A | -1.4751 | |
| 268 | T | A | 0.0000 | |
| 269 | Y | A | -0.8053 | |
| 270 | F | A | 0.0000 | |
| 271 | C | A | -0.3248 | |
| 272 | S | A | -0.6875 | |
| 273 | C | A | 0.0000 | |
| 274 | P | A | -0.5398 | |
| 275 | P | A | -0.5119 | |
| 276 | G | A | -0.4301 | |
| 277 | Y | A | -0.0354 | |
| 278 | I | A | 0.0000 | |
| 279 | L | A | 0.0000 | |
| 280 | L | A | 0.0000 | |
| 281 | D | A | 0.0000 | |
| 282 | D | A | -1.1502 | |
| 283 | N | A | 0.0000 | |
| 284 | R | A | -1.3994 | |
| 285 | S | A | 0.0000 | |
| 286 | C | A | -0.5801 | |
| 287 | Q | A | 0.0000 | |
| 288 | D | A | 0.0000 | |
| 289 | I | A | 0.0000 | |
| 290 | N | A | 0.0000 | |
| 291 | E | A | 0.0000 | |
| 292 | C | A | -0.8091 | |
| 293 | E | A | -0.6533 | |
| 294 | H | A | -0.8453 | |
| 295 | R | A | -1.1131 | |
| 296 | N | A | -1.1578 | |
| 297 | H | A | -1.1823 | |
| 298 | T | A | -0.8812 | |
| 299 | C | A | -0.4165 | |
| 300 | N | A | -0.3376 | |
| 301 | L | A | 0.6623 | |
| 302 | Q | A | -0.5034 | |
| 303 | Q | A | -0.2025 | |
| 304 | T | A | -0.1752 | |
| 305 | C | A | 0.2936 | |
| 306 | Y | A | 0.4341 | |
| 307 | N | A | -0.7444 | |
| 308 | L | A | -0.1667 | |
| 309 | Q | A | -1.0238 | |
| 310 | G | A | -0.7075 | |
| 311 | G | A | 0.0000 | |
| 312 | F | A | 0.1145 | |
| 313 | K | A | 0.1677 | |
| 314 | C | A | 0.0080 | |
| 315 | I | A | 0.0000 | |
| 316 | D | A | -0.0065 | |
| 317 | P | A | 0.1371 | |
| 318 | I | A | 1.1809 | |
| 319 | R | A | -0.0672 | |
| 320 | C | A | -0.3352 | |
| 321 | E | A | -0.9926 | |
| 322 | E | A | -1.5639 | |
| 323 | P | A | -0.8806 | |
| 324 | Y | A | 0.1072 | |
| 325 | L | A | 0.5757 | |
| 326 | R | A | -0.8109 | |
| 327 | I | A | 0.7313 | |
| 328 | S | A | -1.0590 | |
| 329 | D | A | -2.1654 | |
| 330 | N | A | -1.3769 | |
| 331 | R | A | -1.9346 | |
| 332 | C | A | -0.0851 | |
| 333 | M | A | 1.0091 | |
| 334 | C | A | 0.0000 | |
| 335 | P | A | -0.0404 | |
| 336 | A | A | -0.8350 | |
| 337 | E | A | -2.2240 | |
| 338 | N | A | -1.4033 | |
| 339 | P | A | -0.9374 | |
| 340 | G | A | 0.0000 | |
| 341 | C | A | -0.0208 | |
| 342 | R | A | -1.2230 | |
| 343 | D | A | -1.9308 | |
| 344 | Q | A | -1.1663 | |
| 345 | P | A | -0.2574 | |
| 346 | F | A | 1.3092 | |
| 347 | T | A | 0.5800 | |
| 348 | I | A | 0.8802 | |
| 349 | L | A | 0.8108 | |
| 350 | Y | A | 0.0198 | |
| 351 | R | A | -1.5432 | |
| 352 | D | A | -2.0485 | |
| 353 | M | A | -0.3256 | |
| 354 | D | A | -0.8011 | |
| 355 | V | A | 1.6816 | |
| 356 | V | A | 1.3856 | |
| 357 | S | A | 0.5440 | |
| 358 | G | A | -0.5756 | |
| 359 | R | A | -1.6977 | |
| 360 | S | A | -0.8890 | |
| 361 | V | A | 0.6167 | |
| 362 | P | A | -0.7570 | |
| 363 | A | A | 0.0000 | |
| 364 | D | A | -0.7917 | |
| 365 | I | A | 0.7485 | |
| 366 | F | A | 1.9348 | |
| 367 | Q | A | 0.9280 | |
| 368 | M | A | 0.9910 | |
| 369 | Q | A | -0.7177 | |
| 370 | A | A | -0.5308 | |
| 371 | T | A | -0.6019 | |
| 372 | T | A | -0.7751 | |
| 373 | R | A | -1.2372 | |
| 374 | Y | A | 0.5354 | |
| 375 | P | A | -0.1864 | |
| 376 | G | A | -0.0070 | |
| 377 | A | A | 1.2225 | |
| 378 | Y | A | 2.5357 | |
| 379 | Y | A | 2.5967 | |
| 380 | I | A | 2.1098 | |
| 381 | F | A | 0.9843 | |
| 382 | Q | A | -0.7420 | |
| 383 | I | A | -0.8633 | |
| 384 | K | A | -2.3524 | |
| 385 | S | A | -2.4586 | |
| 386 | G | A | -2.8151 | |
| 387 | N | A | -3.3770 | |
| 388 | E | A | -3.7065 | |
| 389 | G | A | -3.0662 | |
| 390 | R | A | -3.1191 | |
| 391 | E | A | -1.6780 | |
| 392 | F | A | 0.8956 | |
| 393 | Y | A | 1.1490 | |
| 394 | M | A | 0.7517 | |
| 395 | R | A | -1.3748 | |
| 396 | Q | A | -1.7567 | |
| 397 | T | A | -1.0779 | |
| 398 | G | A | -0.5370 | |
| 399 | P | A | 0.2297 | |
| 400 | I | A | 1.6454 | |
| 401 | S | A | 0.7933 | |
| 402 | A | A | 1.0596 | |
| 403 | T | A | 1.5337 | |
| 404 | L | A | 2.6224 | |
| 405 | V | A | 2.7926 | |
| 406 | M | A | 1.6233 | |
| 407 | T | A | -0.6609 | |
| 408 | R | A | -2.1576 | |
| 409 | P | A | -1.6219 | |
| 410 | I | A | -1.7290 | |
| 411 | K | A | -2.6751 | |
| 412 | G | A | -1.9989 | |
| 413 | P | A | -1.7620 | |
| 414 | R | A | -3.0064 | |
| 415 | E | A | -2.4427 | |
| 416 | I | A | -0.4993 | |
| 417 | Q | A | -0.6361 | |
| 418 | L | A | -0.3163 | |
| 419 | D | A | -1.4636 | |
| 420 | L | A | -1.0701 | |
| 421 | E | A | -1.9004 | |
| 422 | M | A | -0.1595 | |
| 423 | I | A | 0.9361 | |
| 424 | T | A | 1.2921 | |
| 425 | V | A | 1.7915 | |
| 426 | N | A | 1.2598 | |
| 427 | T | A | 1.1962 | |
| 428 | V | A | 1.6817 | |
| 429 | I | A | 1.6575 | |
| 430 | N | A | -0.0841 | |
| 431 | F | A | -0.2055 | |
| 432 | R | A | -2.1589 | |
| 433 | G | A | -1.1367 | |
| 434 | S | A | -0.8628 | |
| 435 | S | A | 0.0861 | |
| 436 | V | A | 1.1385 | |
| 437 | I | A | -0.4390 | |
| 438 | R | A | -1.8243 | |
| 439 | L | A | -1.1624 | |
| 440 | R | A | -1.3569 | |
| 441 | I | A | 0.9306 | |
| 442 | Y | A | 1.9013 | |
| 443 | V | A | 1.7706 | |
| 444 | S | A | 0.5890 | |
| 445 | Q | A | -0.1319 | |
| 446 | Y | A | 1.3166 | |
| 447 | P | A | 1.0438 | |
| 448 | F | A | 2.0953 |
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