| Chain sequence(s) |
A: MGSHHHHHHMKKDDQIAAAIALRGMAKDGKFAVKSSSSSSSSSMKKDDKIAAAIVLRGMAKDGKFAVKSSSSSSSSSYNMPVNIAAAIVLRGMAKDGQFFAISSSSSSSSSMKKDAQIAAAIVLRGMAKDGKFAVKSSSSSSSSSMKKNDQIAAAIVLRGLAKDGKFAAASSSSSSSSSMEKDTQIAAAIVLRGMAKNGKFAVKSSSSSSSSSITRNDEIAAAIVLRGMAKGGRFFASSSSSSSSSSKKKNDKIAAAIVLRGMAKGGKFALGSSSSSSSSSMKKDDQIAAAMVLRGMAKGGQFALKSSSSSSSSSMKKDDQIAAAMVLRGMAKDGQFVLKSSSSSSSSSAKKDAVIAAGIALRAMAKDGKFAAK
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 (00:04:42)
[INFO] Main: Simulation completed successfully. (00:04:44)
|
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 | 0.4716 | |
| 2 | G | A | -0.5121 | |
| 3 | S | A | -0.8011 | |
| 4 | H | A | -1.5508 | |
| 5 | H | A | -2.0254 | |
| 6 | H | A | -2.3093 | |
| 7 | H | A | -2.2310 | |
| 8 | H | A | -2.3877 | |
| 9 | H | A | -1.1437 | |
| 10 | M | A | 0.0000 | |
| 11 | K | A | -2.6702 | |
| 12 | K | A | -3.2063 | |
| 13 | D | A | -2.8475 | |
| 14 | D | A | -1.6194 | |
| 15 | Q | A | -1.0024 | |
| 16 | I | A | 0.1046 | |
| 17 | A | A | 0.1367 | |
| 18 | A | A | 0.0000 | |
| 19 | A | A | 0.8981 | |
| 20 | I | A | 1.7266 | |
| 21 | A | A | 0.0000 | |
| 22 | L | A | 0.0000 | |
| 23 | R | A | -1.1693 | |
| 24 | G | A | -1.1736 | |
| 25 | M | A | 0.0000 | |
| 26 | A | A | -1.7727 | |
| 27 | K | A | -3.1390 | |
| 28 | D | A | -3.2006 | |
| 29 | G | A | -2.0887 | |
| 30 | K | A | -2.2460 | |
| 31 | F | A | -1.5734 | |
| 32 | A | A | 0.0000 | |
| 33 | V | A | -0.6330 | |
| 34 | K | A | -2.0851 | |
| 35 | S | A | -1.2924 | |
| 36 | S | A | -0.6986 | |
| 37 | S | A | -0.5533 | |
| 38 | S | A | -0.6078 | |
| 39 | S | A | -0.8535 | |
| 40 | S | A | -1.3397 | |
| 41 | S | A | -1.0101 | |
| 42 | S | A | -0.9640 | |
| 43 | S | A | -1.1509 | |
| 44 | M | A | -1.4080 | |
| 45 | K | A | -2.4566 | |
| 46 | K | A | -1.6695 | |
| 47 | D | A | 0.0000 | |
| 48 | D | A | -0.5094 | |
| 49 | K | A | -0.7421 | |
| 50 | I | A | -0.5068 | |
| 51 | A | A | 0.0000 | |
| 52 | A | A | 0.0000 | |
| 53 | A | A | -0.5888 | |
| 54 | I | A | 0.0000 | |
| 55 | V | A | 0.0000 | |
| 56 | L | A | 0.0000 | |
| 57 | R | A | -1.2414 | |
| 58 | G | A | 0.0000 | |
| 59 | M | A | -0.5716 | |
| 60 | A | A | -1.2769 | |
| 61 | K | A | -2.8147 | |
| 62 | D | A | -2.8878 | |
| 63 | G | A | -2.2325 | |
| 64 | K | A | -2.0880 | |
| 65 | F | A | -0.5265 | |
| 66 | A | A | -0.7427 | |
| 67 | V | A | -0.8078 | |
| 68 | K | A | -2.0003 | |
| 69 | S | A | -1.4051 | |
| 70 | S | A | -0.9804 | |
| 71 | S | A | -0.4714 | |
| 72 | S | A | -0.4943 | |
| 73 | S | A | -0.5722 | |
| 74 | S | A | -0.3402 | |
| 75 | S | A | -0.3568 | |
| 76 | S | A | -0.3232 | |
| 77 | S | A | -0.1216 | |
| 78 | Y | A | -0.0117 | |
| 79 | N | A | 0.0176 | |
| 80 | M | A | 0.0000 | |
| 81 | P | A | -0.4936 | |
| 82 | V | A | 0.0000 | |
| 83 | N | A | 0.0000 | |
| 84 | I | A | 0.2321 | |
| 85 | A | A | 0.3771 | |
| 86 | A | A | 0.0000 | |
| 87 | A | A | 0.0000 | |
| 88 | I | A | 0.0000 | |
| 89 | V | A | 0.1949 | |
| 90 | L | A | 0.0000 | |
| 91 | R | A | 0.0000 | |
| 92 | G | A | -1.1136 | |
| 93 | M | A | -0.3119 | |
| 94 | A | A | 0.0000 | |
| 95 | K | A | -2.9869 | |
| 96 | D | A | -3.1021 | |
| 97 | G | A | -1.9628 | |
| 98 | Q | A | 0.0000 | |
| 99 | F | A | 0.0000 | |
| 100 | F | A | 0.0000 | |
| 101 | A | A | 0.0000 | |
| 102 | I | A | 0.0000 | |
| 103 | S | A | -0.4012 | |
| 104 | S | A | 0.0000 | |
| 105 | S | A | -0.7411 | |
| 106 | S | A | -0.5159 | |
| 107 | S | A | -0.5032 | |
| 108 | S | A | -0.4338 | |
| 109 | S | A | -0.6810 | |
| 110 | S | A | -0.5159 | |
| 111 | S | A | -0.6671 | |
| 112 | M | A | 0.0000 | |
| 113 | K | A | -0.7881 | |
| 114 | K | A | 0.0000 | |
| 115 | D | A | 0.0000 | |
| 116 | A | A | -0.0246 | |
| 117 | Q | A | 0.0000 | |
| 118 | I | A | 0.0000 | |
| 119 | A | A | 0.0000 | |
| 120 | A | A | 0.0000 | |
| 121 | A | A | 0.0000 | |
| 122 | I | A | 0.0000 | |
| 123 | V | A | 0.0000 | |
| 124 | L | A | 0.0000 | |
| 125 | R | A | 0.0000 | |
| 126 | G | A | 0.0000 | |
| 127 | M | A | -1.3960 | |
| 128 | A | A | 0.0000 | |
| 129 | K | A | -2.6916 | |
| 130 | D | A | -2.4299 | |
| 131 | G | A | -1.8439 | |
| 132 | K | A | -1.2992 | |
| 133 | F | A | 1.4502 | |
| 134 | A | A | 1.4425 | |
| 135 | V | A | 1.5997 | |
| 136 | K | A | 0.1012 | |
| 137 | S | A | -0.5631 | |
| 138 | S | A | -0.6401 | |
| 139 | S | A | -0.7353 | |
| 140 | S | A | -0.6667 | |
| 141 | S | A | -0.5017 | |
| 142 | S | A | -0.5965 | |
| 143 | S | A | -0.8569 | |
| 144 | S | A | -0.5028 | |
| 145 | S | A | -0.4816 | |
| 146 | M | A | 0.1131 | |
| 147 | K | A | -1.0739 | |
| 148 | K | A | -2.0403 | |
| 149 | N | A | -1.5371 | |
| 150 | D | A | -1.6712 | |
| 151 | Q | A | -1.7806 | |
| 152 | I | A | -0.6568 | |
| 153 | A | A | 0.0000 | |
| 154 | A | A | 0.1045 | |
| 155 | A | A | 0.2356 | |
| 156 | I | A | 0.0000 | |
| 157 | V | A | 0.0000 | |
| 158 | L | A | 1.5184 | |
| 159 | R | A | -0.5393 | |
| 160 | G | A | 0.0000 | |
| 161 | L | A | -0.2997 | |
| 162 | A | A | -1.8643 | |
| 163 | K | A | -3.3706 | |
| 164 | D | A | -3.1543 | |
| 165 | G | A | -2.9363 | |
| 166 | K | A | -3.3883 | |
| 167 | F | A | 0.0000 | |
| 168 | A | A | -0.7241 | |
| 169 | A | A | 0.0000 | |
| 170 | A | A | 0.0000 | |
| 171 | S | A | -0.0392 | |
| 172 | S | A | -0.0383 | |
| 173 | S | A | -0.4607 | |
| 174 | S | A | -0.7143 | |
| 175 | S | A | -0.7733 | |
| 176 | S | A | -0.4937 | |
| 177 | S | A | 0.0000 | |
| 178 | S | A | -0.4163 | |
| 179 | S | A | -0.8645 | |
| 180 | M | A | 0.0000 | |
| 181 | E | A | -1.3554 | |
| 182 | K | A | -2.1697 | |
| 183 | D | A | -1.4821 | |
| 184 | T | A | 0.0000 | |
| 185 | Q | A | -0.7413 | |
| 186 | I | A | 0.0000 | |
| 187 | A | A | 0.0000 | |
| 188 | A | A | 0.0000 | |
| 189 | A | A | 0.0000 | |
| 190 | I | A | 0.0000 | |
| 191 | V | A | 0.0000 | |
| 192 | L | A | 0.0000 | |
| 193 | R | A | 0.0000 | |
| 194 | G | A | -0.5998 | |
| 195 | M | A | -0.8084 | |
| 196 | A | A | 0.0000 | |
| 197 | K | A | -2.8618 | |
| 198 | N | A | -2.8203 | |
| 199 | G | A | 0.0000 | |
| 200 | K | A | -1.0484 | |
| 201 | F | A | -0.0191 | |
| 202 | A | A | -0.2482 | |
| 203 | V | A | 0.3294 | |
| 204 | K | A | -0.5490 | |
| 205 | S | A | -0.6506 | |
| 206 | S | A | -0.6215 | |
| 207 | S | A | -0.7104 | |
| 208 | S | A | -0.6995 | |
| 209 | S | A | -0.6400 | |
| 210 | S | A | -0.5843 | |
| 211 | S | A | -0.6708 | |
| 212 | S | A | -0.9317 | |
| 213 | S | A | -1.3777 | |
| 214 | I | A | -1.0935 | |
| 215 | T | A | -1.5174 | |
| 216 | R | A | -2.6916 | |
| 217 | N | A | -1.9112 | |
| 218 | D | A | -1.4164 | |
| 219 | E | A | -2.0771 | |
| 220 | I | A | -0.3222 | |
| 221 | A | A | -0.0491 | |
| 222 | A | A | 0.0703 | |
| 223 | A | A | 0.4163 | |
| 224 | I | A | 1.2732 | |
| 225 | V | A | 0.0000 | |
| 226 | L | A | 0.4751 | |
| 227 | R | A | -1.1217 | |
| 228 | G | A | -0.8363 | |
| 229 | M | A | -0.7607 | |
| 230 | A | A | -1.0088 | |
| 231 | K | A | -2.3130 | |
| 232 | G | A | -1.8941 | |
| 233 | G | A | -1.6115 | |
| 234 | R | A | -1.9939 | |
| 235 | F | A | 0.0000 | |
| 236 | F | A | -0.2331 | |
| 237 | A | A | -0.5146 | |
| 238 | S | A | -0.6637 | |
| 239 | S | A | -0.4863 | |
| 240 | S | A | -0.5061 | |
| 241 | S | A | -0.5011 | |
| 242 | S | A | -0.4837 | |
| 243 | S | A | -0.6358 | |
| 244 | S | A | -0.9009 | |
| 245 | S | A | -0.7024 | |
| 246 | S | A | 0.0000 | |
| 247 | S | A | -0.8682 | |
| 248 | K | A | -1.4123 | |
| 249 | K | A | -1.2263 | |
| 250 | K | A | 0.0000 | |
| 251 | N | A | 0.0000 | |
| 252 | D | A | -0.7524 | |
| 253 | K | A | 0.0000 | |
| 254 | I | A | 0.0000 | |
| 255 | A | A | 0.0000 | |
| 256 | A | A | 0.0969 | |
| 257 | A | A | 0.0000 | |
| 258 | I | A | 0.0000 | |
| 259 | V | A | 0.0000 | |
| 260 | L | A | -0.0261 | |
| 261 | R | A | -0.7375 | |
| 262 | G | A | -0.8823 | |
| 263 | M | A | -0.5726 | |
| 264 | A | A | -0.8419 | |
| 265 | K | A | -2.3996 | |
| 266 | G | A | -1.9938 | |
| 267 | G | A | -1.8023 | |
| 268 | K | A | -2.3414 | |
| 269 | F | A | 0.0000 | |
| 270 | A | A | -0.4939 | |
| 271 | L | A | 0.0000 | |
| 272 | G | A | 0.0000 | |
| 273 | S | A | -1.1163 | |
| 274 | S | A | -0.8397 | |
| 275 | S | A | -0.6735 | |
| 276 | S | A | -0.4677 | |
| 277 | S | A | -0.5202 | |
| 278 | S | A | -0.4351 | |
| 279 | S | A | -0.6287 | |
| 280 | S | A | -0.3738 | |
| 281 | S | A | 0.0000 | |
| 282 | M | A | 0.0428 | |
| 283 | K | A | 0.0000 | |
| 284 | K | A | 0.0000 | |
| 285 | D | A | 0.0000 | |
| 286 | D | A | 0.0000 | |
| 287 | Q | A | 0.0000 | |
| 288 | I | A | 0.0000 | |
| 289 | A | A | 0.0000 | |
| 290 | A | A | 0.0000 | |
| 291 | A | A | 0.0000 | |
| 292 | M | A | 0.0000 | |
| 293 | V | A | 0.0000 | |
| 294 | L | A | 0.0000 | |
| 295 | R | A | 0.0000 | |
| 296 | G | A | 0.0000 | |
| 297 | M | A | -1.1571 | |
| 298 | A | A | -1.9498 | |
| 299 | K | A | -3.0984 | |
| 300 | G | A | -2.7843 | |
| 301 | G | A | -2.3482 | |
| 302 | Q | A | -2.0336 | |
| 303 | F | A | 0.0000 | |
| 304 | A | A | 0.0000 | |
| 305 | L | A | 0.0000 | |
| 306 | K | A | -2.0316 | |
| 307 | S | A | 0.0000 | |
| 308 | S | A | -1.0675 | |
| 309 | S | A | -0.6960 | |
| 310 | S | A | -0.5484 | |
| 311 | S | A | -0.4640 | |
| 312 | S | A | -0.6830 | |
| 313 | S | A | -0.6351 | |
| 314 | S | A | 0.0000 | |
| 315 | S | A | 0.0000 | |
| 316 | M | A | -0.3615 | |
| 317 | K | A | 0.0000 | |
| 318 | K | A | 0.0000 | |
| 319 | D | A | -0.7199 | |
| 320 | D | A | -0.7846 | |
| 321 | Q | A | 0.0000 | |
| 322 | I | A | 0.0000 | |
| 323 | A | A | -0.1192 | |
| 324 | A | A | 0.0000 | |
| 325 | A | A | 0.0000 | |
| 326 | M | A | 0.0000 | |
| 327 | V | A | 0.0000 | |
| 328 | L | A | 0.0000 | |
| 329 | R | A | -1.4846 | |
| 330 | G | A | -1.7053 | |
| 331 | M | A | 0.0000 | |
| 332 | A | A | 0.0000 | |
| 333 | K | A | -3.6673 | |
| 334 | D | A | -3.5585 | |
| 335 | G | A | -2.6936 | |
| 336 | Q | A | -1.9698 | |
| 337 | F | A | -0.3238 | |
| 338 | V | A | -0.2082 | |
| 339 | L | A | -0.6153 | |
| 340 | K | A | -2.0506 | |
| 341 | S | A | -1.5151 | |
| 342 | S | A | -1.0293 | |
| 343 | S | A | -0.5593 | |
| 344 | S | A | -0.5148 | |
| 345 | S | A | -0.4921 | |
| 346 | S | A | -0.4684 | |
| 347 | S | A | 0.0000 | |
| 348 | S | A | -1.1826 | |
| 349 | S | A | -1.3987 | |
| 350 | A | A | -1.3331 | |
| 351 | K | A | 0.0000 | |
| 352 | K | A | -2.2936 | |
| 353 | D | A | -2.4084 | |
| 354 | A | A | 0.0000 | |
| 355 | V | A | -0.1228 | |
| 356 | I | A | 0.6228 | |
| 357 | A | A | 0.1239 | |
| 358 | A | A | 0.0000 | |
| 359 | G | A | 0.0000 | |
| 360 | I | A | 1.2744 | |
| 361 | A | A | 0.3858 | |
| 362 | L | A | 0.0000 | |
| 363 | R | A | -2.1011 | |
| 364 | A | A | -0.8297 | |
| 365 | M | A | -0.8742 | |
| 366 | A | A | -2.2868 | |
| 367 | K | A | -3.1406 | |
| 368 | D | A | -3.4143 | |
| 369 | G | A | -3.1645 | |
| 370 | K | A | -2.6782 | |
| 371 | F | A | -0.9121 | |
| 372 | A | A | -0.7281 | |
| 373 | A | A | -0.5240 | |
| 374 | K | A | -1.5586 |
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