| Chain sequence(s) |
A: MAAMFTTRNAIFRFSKSFPNVPSLSLPKPSRVFVASASHQSDWRNAADGKRNSSMDWAYNSTSKARQDADEIADRERKTLNGDVDSEDVKQYVRDAKERTKEAANRAAENADSAGVKSRDYAYDAKEKTKDAANRAAENVESAGEKAKDYAYDAKERTKDAANRAAENAESVGEKARDYAYDAKERTKEAAQNAGETAKDYAYGAKERTKEAAESAGGTARDYAYDATDKTKEAVGTVADKTKEGAKKTAEMTKEGAEKTAETTGEVAGAATEALKSAGEMAKRTAQGAWETAKDATQKIKETVVGKDDDDNDRGGGVGAVVDEYDVELKRKGYGESKGYDMSKGYGENKGYDQNRGY
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | No |
| pH calculations | No |
| alphaCutter usage | No |
| 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] runJob: FoldX not utilized. Treating input pdb file as it was already optimized. (00:00:00)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:00:01)
[INFO] Main: Simulation completed successfully. (00:00:03)
|
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan4D score | mutation |
|---|---|---|---|---|
| 1 | M | A | 1.0942 | |
| 2 | A | A | 1.0770 | |
| 3 | A | A | 1.2979 | |
| 4 | M | A | 2.0303 | |
| 5 | F | A | 2.2445 | |
| 6 | T | A | 0.6739 | |
| 7 | T | A | -0.7073 | |
| 8 | R | A | -2.3009 | |
| 9 | N | A | -1.7160 | |
| 10 | A | A | 0.1503 | |
| 11 | I | A | 2.4967 | |
| 12 | F | A | 2.5344 | |
| 13 | R | A | 0.5338 | |
| 14 | F | A | 1.2168 | |
| 15 | S | A | -0.4071 | |
| 16 | K | A | -1.0562 | |
| 17 | S | A | -0.2170 | |
| 18 | F | A | 1.2416 | |
| 19 | P | A | 0.6025 | |
| 20 | N | A | -0.2037 | |
| 21 | V | A | 1.3081 | |
| 22 | P | A | 0.5960 | |
| 23 | S | A | 0.7696 | |
| 24 | L | A | 1.7845 | |
| 25 | S | A | 0.9501 | |
| 26 | L | A | 1.1732 | |
| 27 | P | A | -0.2964 | |
| 28 | K | A | -1.8120 | |
| 29 | P | A | -1.2936 | |
| 30 | S | A | -1.2811 | |
| 31 | R | A | -0.8959 | |
| 32 | V | A | 2.2285 | |
| 33 | F | A | 3.3371 | |
| 34 | V | A | 3.1350 | |
| 35 | A | A | 1.5541 | |
| 36 | S | A | 0.4634 | |
| 37 | A | A | -0.1708 | |
| 38 | S | A | -0.9984 | |
| 39 | H | A | -1.7158 | |
| 40 | Q | A | -2.1992 | |
| 41 | S | A | -1.6674 | |
| 42 | D | A | -1.9909 | |
| 43 | W | A | -0.9100 | |
| 44 | R | A | -2.3071 | |
| 45 | N | A | -2.0810 | |
| 46 | A | A | -1.3092 | |
| 47 | A | A | -1.3496 | |
| 48 | D | A | -2.7903 | |
| 49 | G | A | -2.7469 | |
| 50 | K | A | -3.6115 | |
| 51 | R | A | -3.7572 | |
| 52 | N | A | -2.8475 | |
| 53 | S | A | -1.5614 | |
| 54 | S | A | -0.6903 | |
| 55 | M | A | -0.0109 | |
| 56 | D | A | -1.0963 | |
| 57 | W | A | 0.5259 | |
| 58 | A | A | 0.5118 | |
| 59 | Y | A | 0.4180 | |
| 60 | N | A | -1.3488 | |
| 61 | S | A | -1.3509 | |
| 62 | T | A | -1.3472 | |
| 63 | S | A | -2.2665 | |
| 64 | K | A | -3.5785 | |
| 65 | A | A | -3.2657 | |
| 66 | R | A | -4.1675 | |
| 67 | Q | A | -4.2541 | |
| 68 | D | A | -3.8980 | |
| 69 | A | A | -3.1158 | |
| 70 | D | A | -4.5253 | |
| 71 | E | A | -4.4130 | |
| 72 | I | A | -2.2865 | |
| 73 | A | A | -3.3918 | |
| 74 | D | A | -4.9101 | |
| 75 | R | A | -4.6123 | |
| 76 | E | A | -4.4183 | |
| 77 | R | A | -4.5150 | |
| 78 | K | A | -4.0278 | |
| 79 | T | A | -2.6156 | |
| 80 | L | A | -1.4433 | |
| 81 | N | A | -2.1096 | |
| 82 | G | A | -1.8059 | |
| 83 | D | A | -2.0149 | |
| 84 | V | A | -1.2096 | |
| 85 | D | A | -2.9172 | |
| 86 | S | A | -2.6364 | |
| 87 | E | A | -3.3172 | |
| 88 | D | A | -3.0394 | |
| 89 | V | A | -1.2825 | |
| 90 | K | A | -2.5849 | |
| 91 | Q | A | -2.8460 | |
| 92 | Y | A | -1.1094 | |
| 93 | V | A | -1.4656 | |
| 94 | R | A | -3.6541 | |
| 95 | D | A | -3.6194 | |
| 96 | A | A | -2.8379 | |
| 97 | K | A | -4.2749 | |
| 98 | E | A | -4.7941 | |
| 99 | R | A | -4.6914 | |
| 100 | T | A | -4.0030 | |
| 101 | K | A | -4.6278 | |
| 102 | E | A | -4.2289 | |
| 103 | A | A | -2.9949 | |
| 104 | A | A | -2.9447 | |
| 105 | N | A | -3.9523 | |
| 106 | R | A | -4.1227 | |
| 107 | A | A | -2.8080 | |
| 108 | A | A | -3.0262 | |
| 109 | E | A | -4.0510 | |
| 110 | N | A | -3.2643 | |
| 111 | A | A | -2.7318 | |
| 112 | D | A | -3.3668 | |
| 113 | S | A | -1.8113 | |
| 114 | A | A | -1.0797 | |
| 115 | G | A | -0.9759 | |
| 116 | V | A | -0.1539 | |
| 117 | K | A | -1.8986 | |
| 118 | S | A | -1.5263 | |
| 119 | R | A | -2.6404 | |
| 120 | D | A | -2.3327 | |
| 121 | Y | A | -0.6625 | |
| 122 | A | A | -1.2303 | |
| 123 | Y | A | -1.0144 | |
| 124 | D | A | -2.3749 | |
| 125 | A | A | -2.1227 | |
| 126 | K | A | -3.1934 | |
| 127 | E | A | -3.8896 | |
| 128 | K | A | -4.0451 | |
| 129 | T | A | -3.6221 | |
| 130 | K | A | -4.6993 | |
| 131 | D | A | -4.0645 | |
| 132 | A | A | -3.0344 | |
| 133 | A | A | -3.1908 | |
| 134 | N | A | -3.8016 | |
| 135 | R | A | -3.6195 | |
| 136 | A | A | -2.2757 | |
| 137 | A | A | -2.5980 | |
| 138 | E | A | -3.4825 | |
| 139 | N | A | -3.0344 | |
| 140 | V | A | -1.4872 | |
| 141 | E | A | -2.4381 | |
| 142 | S | A | -2.0713 | |
| 143 | A | A | -1.4778 | |
| 144 | G | A | -1.9953 | |
| 145 | E | A | -3.4302 | |
| 146 | K | A | -3.6745 | |
| 147 | A | A | -2.3051 | |
| 148 | K | A | -2.9378 | |
| 149 | D | A | -2.9662 | |
| 150 | Y | A | -1.2444 | |
| 151 | A | A | -1.2369 | |
| 152 | Y | A | -1.3131 | |
| 153 | D | A | -2.5594 | |
| 154 | A | A | -2.4223 | |
| 155 | K | A | -3.6371 | |
| 156 | E | A | -4.3196 | |
| 157 | R | A | -4.4365 | |
| 158 | T | A | -3.4340 | |
| 159 | K | A | -4.4424 | |
| 160 | D | A | -4.1717 | |
| 161 | A | A | -2.9235 | |
| 162 | A | A | -2.7127 | |
| 163 | N | A | -3.7739 | |
| 164 | R | A | -4.0584 | |
| 165 | A | A | -2.7198 | |
| 166 | A | A | -2.7521 | |
| 167 | E | A | -3.7907 | |
| 168 | N | A | -3.0274 | |
| 169 | A | A | -2.1223 | |
| 170 | E | A | -2.9782 | |
| 171 | S | A | -1.8112 | |
| 172 | V | A | -0.5485 | |
| 173 | G | A | -2.1384 | |
| 174 | E | A | -3.4729 | |
| 175 | K | A | -2.9935 | |
| 176 | A | A | -1.8917 | |
| 177 | R | A | -3.0532 | |
| 178 | D | A | -2.7648 | |
| 179 | Y | A | -0.7346 | |
| 180 | A | A | -1.2758 | |
| 181 | Y | A | -1.4408 | |
| 182 | D | A | -2.8871 | |
| 183 | A | A | -2.4634 | |
| 184 | K | A | -3.6967 | |
| 185 | E | A | -4.7547 | |
| 186 | R | A | -4.5402 | |
| 187 | T | A | -3.7079 | |
| 188 | K | A | -4.6564 | |
| 189 | E | A | -4.3784 | |
| 190 | A | A | -2.7424 | |
| 191 | A | A | -2.5693 | |
| 192 | Q | A | -3.1705 | |
| 193 | N | A | -2.8669 | |
| 194 | A | A | -1.8473 | |
| 195 | G | A | -2.3133 | |
| 196 | E | A | -3.1575 | |
| 197 | T | A | -1.8990 | |
| 198 | A | A | -1.5718 | |
| 199 | K | A | -2.4263 | |
| 200 | D | A | -1.9033 | |
| 201 | Y | A | 0.3228 | |
| 202 | A | A | 0.0436 | |
| 203 | Y | A | 0.0495 | |
| 204 | G | A | -0.8848 | |
| 205 | A | A | -1.6598 | |
| 206 | K | A | -3.3175 | |
| 207 | E | A | -4.2172 | |
| 208 | R | A | -4.3024 | |
| 209 | T | A | -3.5476 | |
| 210 | K | A | -4.3527 | |
| 211 | E | A | -4.4048 | |
| 212 | A | A | -2.7365 | |
| 213 | A | A | -2.2444 | |
| 214 | E | A | -2.9386 | |
| 215 | S | A | -1.9268 | |
| 216 | A | A | -1.1504 | |
| 217 | G | A | -1.3951 | |
| 218 | G | A | -1.6625 | |
| 219 | T | A | -1.2312 | |
| 220 | A | A | -1.0530 | |
| 221 | R | A | -2.3463 | |
| 222 | D | A | -2.1013 | |
| 223 | Y | A | -0.2503 | |
| 224 | A | A | -0.5764 | |
| 225 | Y | A | -0.8043 | |
| 226 | D | A | -2.4291 | |
| 227 | A | A | -1.5444 | |
| 228 | T | A | -2.0997 | |
| 229 | D | A | -3.5794 | |
| 230 | K | A | -3.6778 | |
| 231 | T | A | -2.4533 | |
| 232 | K | A | -3.1647 | |
| 233 | E | A | -2.9243 | |
| 234 | A | A | -1.0268 | |
| 235 | V | A | 0.2477 | |
| 236 | G | A | -0.8802 | |
| 237 | T | A | -0.7362 | |
| 238 | V | A | 0.2848 | |
| 239 | A | A | -1.0648 | |
| 240 | D | A | -3.0290 | |
| 241 | K | A | -3.2907 | |
| 242 | T | A | -2.9259 | |
| 243 | K | A | -4.3645 | |
| 244 | E | A | -4.7729 | |
| 245 | G | A | -3.7672 | |
| 246 | A | A | -3.3713 | |
| 247 | K | A | -4.2608 | |
| 248 | K | A | -3.7486 | |
| 249 | T | A | -2.3736 | |
| 250 | A | A | -2.5246 | |
| 251 | E | A | -3.3970 | |
| 252 | M | A | -1.6101 | |
| 253 | T | A | -2.2199 | |
| 254 | K | A | -3.2169 | |
| 255 | E | A | -3.1243 | |
| 256 | G | A | -2.4181 | |
| 257 | A | A | -2.3534 | |
| 258 | E | A | -3.1448 | |
| 259 | K | A | -2.9092 | |
| 260 | T | A | -1.8241 | |
| 261 | A | A | -1.5989 | |
| 262 | E | A | -2.4525 | |
| 263 | T | A | -1.2309 | |
| 264 | T | A | -0.8875 | |
| 265 | G | A | -1.3335 | |
| 266 | E | A | -1.5582 | |
| 267 | V | A | 0.5253 | |
| 268 | A | A | -0.1841 | |
| 269 | G | A | -0.7222 | |
| 270 | A | A | -0.5229 | |
| 271 | A | A | -0.1758 | |
| 272 | T | A | -0.7993 | |
| 273 | E | A | -1.8441 | |
| 274 | A | A | -0.9123 | |
| 275 | L | A | -0.1591 | |
| 276 | K | A | -2.1349 | |
| 277 | S | A | -1.6090 | |
| 278 | A | A | -1.0990 | |
| 279 | G | A | -2.0332 | |
| 280 | E | A | -2.8583 | |
| 281 | M | A | -1.3672 | |
| 282 | A | A | -1.9453 | |
| 283 | K | A | -3.3440 | |
| 284 | R | A | -3.1916 | |
| 285 | T | A | -1.9343 | |
| 286 | A | A | -1.7678 | |
| 287 | Q | A | -2.3921 | |
| 288 | G | A | -1.8426 | |
| 289 | A | A | -1.0773 | |
| 290 | W | A | -0.9765 | |
| 291 | E | A | -2.6302 | |
| 292 | T | A | -1.9483 | |
| 293 | A | A | -1.6981 | |
| 294 | K | A | -2.9421 | |
| 295 | D | A | -3.5506 | |
| 296 | A | A | -2.2869 | |
| 297 | T | A | -2.4067 | |
| 298 | Q | A | -3.3103 | |
| 299 | K | A | -2.9438 | |
| 300 | I | A | -0.2978 | |
| 301 | K | A | -1.8236 | |
| 302 | E | A | -1.9421 | |
| 303 | T | A | -0.3056 | |
| 304 | V | A | 1.3081 | |
| 305 | V | A | 0.9675 | |
| 306 | G | A | -1.0963 | |
| 307 | K | A | -2.8934 | |
| 308 | D | A | -4.0373 | |
| 309 | D | A | -4.4769 | |
| 310 | D | A | -4.4760 | |
| 311 | D | A | -4.3009 | |
| 312 | N | A | -3.8223 | |
| 313 | D | A | -3.7906 | |
| 314 | R | A | -3.3201 | |
| 315 | G | A | -2.1280 | |
| 316 | G | A | -0.9131 | |
| 317 | G | A | -0.0311 | |
| 318 | V | A | 1.2185 | |
| 319 | G | A | 0.9659 | |
| 320 | A | A | 1.2949 | |
| 321 | V | A | 1.8984 | |
| 322 | V | A | 1.2598 | |
| 323 | D | A | -1.0606 | |
| 324 | E | A | -1.8283 | |
| 325 | Y | A | -0.4442 | |
| 326 | D | A | -0.8873 | |
| 327 | V | A | 0.5025 | |
| 328 | E | A | -1.1639 | |
| 329 | L | A | -0.5132 | |
| 330 | K | A | -2.6105 | |
| 331 | R | A | -3.3469 | |
| 332 | K | A | -3.0018 | |
| 333 | G | A | -1.2823 | |
| 334 | Y | A | -0.1762 | |
| 335 | G | A | -0.9488 | |
| 336 | E | A | -2.2804 | |
| 337 | S | A | -2.1582 | |
| 338 | K | A | -2.1343 | |
| 339 | G | A | -1.0616 | |
| 340 | Y | A | 0.0371 | |
| 341 | D | A | -0.7225 | |
| 342 | M | A | -0.1260 | |
| 343 | S | A | -1.0747 | |
| 344 | K | A | -1.5185 | |
| 345 | G | A | -0.8209 | |
| 346 | Y | A | 0.1071 | |
| 347 | G | A | -1.1128 | |
| 348 | E | A | -2.7872 | |
| 349 | N | A | -3.2574 | |
| 350 | K | A | -2.6976 | |
| 351 | G | A | -1.3951 | |
| 352 | Y | A | -0.5170 | |
| 353 | D | A | -2.0320 | |
| 354 | Q | A | -2.7618 | |
| 355 | N | A | -3.2319 | |
| 356 | R | A | -2.7517 | |
| 357 | G | A | -0.9941 | |
| 358 | Y | A | 0.5365 |
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