| Chain sequence(s) |
A: MRAWIFFLLCLAGRALADDGSGSGSEEDEEHTIITDTELPPLKLMHSFCAFKADDGPCKAIMKRFFFNIFTRQCEEFIYGGCEGNQNRFESLEECKKMCTRDNANRIIKTTLQQEKPDFCFLEEDPGICRGYITRYFYNNQTKQCERFKYGGCLGNMNNFETLEECKNICEDGPNGFQVDNYGTQLNAVNNSLTPQSTKVPSLFEFHGPSWCLTPADRGLCRANENRFYYNSVIGKCRPFKYSGCGGNENNFTSKQECLRACKKGFIQRISKGGLIKTKRKRKKQRVKIAYEEIFVKNMGSGSGWSHPQFEKGGGSGGGSGGSAWSHPQFEK
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 (00:06:09)
[INFO] Main: Simulation completed successfully. (00:06:13)
|
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 | 0.1854 | |
| 2 | R | A | -0.7857 | |
| 3 | A | A | 0.3786 | |
| 4 | W | A | 2.1262 | |
| 5 | I | A | 3.7416 | |
| 6 | F | A | 4.7809 | |
| 7 | F | A | 4.6806 | |
| 8 | L | A | 4.0184 | |
| 9 | L | A | 3.7521 | |
| 10 | C | A | 2.7843 | |
| 11 | L | A | 2.1968 | |
| 12 | A | A | 0.5472 | |
| 13 | G | A | -0.8118 | |
| 14 | R | A | -1.4811 | |
| 15 | A | A | -0.3889 | |
| 16 | L | A | 0.3991 | |
| 17 | A | A | -0.7433 | |
| 18 | D | A | -2.3685 | |
| 19 | D | A | -2.8095 | |
| 20 | G | A | -2.0701 | |
| 21 | S | A | -1.3905 | |
| 22 | G | A | -1.1162 | |
| 23 | S | A | -1.0437 | |
| 24 | G | A | -1.6210 | |
| 25 | S | A | -2.2197 | |
| 26 | E | A | -3.7962 | |
| 27 | E | A | -4.4949 | |
| 28 | D | A | -4.8828 | |
| 29 | E | A | -4.6866 | |
| 30 | E | A | -3.7396 | |
| 31 | H | A | -1.8410 | |
| 32 | T | A | 0.2148 | |
| 33 | I | A | 2.1061 | |
| 34 | I | A | 2.2818 | |
| 35 | T | A | 0.4023 | |
| 36 | D | A | -1.2924 | |
| 37 | T | A | -1.0788 | |
| 38 | E | A | -1.7279 | |
| 39 | L | A | 0.2248 | |
| 40 | P | A | -0.1437 | |
| 41 | P | A | -0.3949 | |
| 42 | L | A | 0.2462 | |
| 43 | K | A | -0.8248 | |
| 44 | L | A | 0.0000 | |
| 45 | M | A | 0.0000 | |
| 46 | H | A | -0.3627 | |
| 47 | S | A | 0.0510 | |
| 48 | F | A | -0.0267 | |
| 49 | C | A | 0.0000 | |
| 50 | A | A | 0.3916 | |
| 51 | F | A | -0.3037 | |
| 52 | K | A | -1.8173 | |
| 53 | A | A | -1.7787 | |
| 54 | D | A | -2.3718 | |
| 55 | D | A | -2.4007 | |
| 56 | G | A | -2.0205 | |
| 57 | P | A | -1.3771 | |
| 58 | C | A | -0.9261 | |
| 59 | K | A | -1.1369 | |
| 60 | A | A | 0.0893 | |
| 61 | I | A | 1.5312 | |
| 62 | M | A | 0.1736 | |
| 63 | K | A | -1.3683 | |
| 64 | R | A | -1.6884 | |
| 65 | F | A | -1.8368 | |
| 66 | F | A | -1.4458 | |
| 67 | F | A | 0.0000 | |
| 68 | N | A | -0.2035 | |
| 69 | I | A | 1.0534 | |
| 70 | F | A | 1.9014 | |
| 71 | T | A | 0.3976 | |
| 72 | R | A | -0.1469 | |
| 73 | Q | A | -1.3210 | |
| 74 | C | A | -1.5689 | |
| 75 | E | A | -1.6186 | |
| 76 | E | A | -2.2843 | |
| 77 | F | A | -0.7849 | |
| 78 | I | A | 0.2967 | |
| 79 | Y | A | 0.0000 | |
| 80 | G | A | 0.0000 | |
| 81 | G | A | -0.7364 | |
| 82 | C | A | -1.3840 | |
| 83 | E | A | -2.4797 | |
| 84 | G | A | -2.4788 | |
| 85 | N | A | -1.8874 | |
| 86 | Q | A | -1.7389 | |
| 87 | N | A | 0.0000 | |
| 88 | R | A | -1.9849 | |
| 89 | F | A | 0.0000 | |
| 90 | E | A | -2.7762 | |
| 91 | S | A | -2.3855 | |
| 92 | L | A | -1.9871 | |
| 93 | E | A | -3.0528 | |
| 94 | E | A | -2.9201 | |
| 95 | C | A | 0.0000 | |
| 96 | K | A | -3.2358 | |
| 97 | K | A | -3.3767 | |
| 98 | M | A | -1.6011 | |
| 99 | C | A | 0.0000 | |
| 100 | T | A | -2.5314 | |
| 101 | R | A | -3.0354 | |
| 102 | D | A | -3.5999 | |
| 103 | N | A | -2.9067 | |
| 104 | A | A | 0.0000 | |
| 105 | N | A | -2.5404 | |
| 106 | R | A | -2.6274 | |
| 107 | I | A | -0.2447 | |
| 108 | I | A | 0.0464 | |
| 109 | K | A | -1.1597 | |
| 110 | T | A | -0.4144 | |
| 111 | T | A | -0.2421 | |
| 112 | L | A | 0.4442 | |
| 113 | Q | A | -1.4118 | |
| 114 | Q | A | -2.4232 | |
| 115 | E | A | -2.7918 | |
| 116 | K | A | -1.6467 | |
| 117 | P | A | -0.4017 | |
| 118 | D | A | -0.3736 | |
| 119 | F | A | -0.1063 | |
| 120 | C | A | 0.0000 | |
| 121 | F | A | -0.4061 | |
| 122 | L | A | -0.8210 | |
| 123 | E | A | -2.4662 | |
| 124 | E | A | -2.5898 | |
| 125 | D | A | -1.4522 | |
| 126 | P | A | -0.9443 | |
| 127 | G | A | -0.5030 | |
| 128 | I | A | 0.1229 | |
| 129 | C | A | -0.7496 | |
| 130 | R | A | -1.6257 | |
| 131 | G | A | -0.4589 | |
| 132 | Y | A | 0.8252 | |
| 133 | I | A | 0.5431 | |
| 134 | T | A | -0.5133 | |
| 135 | R | A | -1.2379 | |
| 136 | Y | A | -2.0233 | |
| 137 | F | A | 0.0000 | |
| 138 | Y | A | 0.0000 | |
| 139 | N | A | -2.4745 | |
| 140 | N | A | -2.3419 | |
| 141 | Q | A | -2.3374 | |
| 142 | T | A | -1.9925 | |
| 143 | K | A | -2.9168 | |
| 144 | Q | A | -2.8097 | |
| 145 | C | A | 0.0000 | |
| 146 | E | A | -2.0691 | |
| 147 | R | A | -2.6584 | |
| 148 | F | A | 0.0000 | |
| 149 | K | A | -1.0894 | |
| 150 | Y | A | 0.0000 | |
| 151 | G | A | 0.0000 | |
| 152 | G | A | -0.2724 | |
| 153 | C | A | 0.0000 | |
| 154 | L | A | -0.0344 | |
| 155 | G | A | 0.0000 | |
| 156 | N | A | 0.0000 | |
| 157 | M | A | -0.4611 | |
| 158 | N | A | 0.0000 | |
| 159 | N | A | 0.0000 | |
| 160 | F | A | 0.0000 | |
| 161 | E | A | -2.3568 | |
| 162 | T | A | -2.0078 | |
| 163 | L | A | -2.0932 | |
| 164 | E | A | -2.9120 | |
| 165 | E | A | -2.6703 | |
| 166 | C | A | 0.0000 | |
| 167 | K | A | -2.7002 | |
| 168 | N | A | -1.9394 | |
| 169 | I | A | -0.4543 | |
| 170 | C | A | 0.0000 | |
| 171 | E | A | -2.6620 | |
| 172 | D | A | -3.3107 | |
| 173 | G | A | -1.7546 | |
| 174 | P | A | -1.2865 | |
| 175 | N | A | -1.5560 | |
| 176 | G | A | -0.9829 | |
| 177 | F | A | 0.6828 | |
| 178 | Q | A | -0.4913 | |
| 179 | V | A | 0.6284 | |
| 180 | D | A | -1.3131 | |
| 181 | N | A | -1.3236 | |
| 182 | Y | A | 0.0670 | |
| 183 | G | A | -0.5929 | |
| 184 | T | A | -0.4119 | |
| 185 | Q | A | -0.7168 | |
| 186 | L | A | 0.4882 | |
| 187 | N | A | -0.5409 | |
| 188 | A | A | 0.0878 | |
| 189 | V | A | 0.7230 | |
| 190 | N | A | -1.0446 | |
| 191 | N | A | -1.2377 | |
| 192 | S | A | -0.2675 | |
| 193 | L | A | 0.7809 | |
| 194 | T | A | -0.0048 | |
| 195 | P | A | -0.5923 | |
| 196 | Q | A | -1.5072 | |
| 197 | S | A | -1.1224 | |
| 198 | T | A | -0.8787 | |
| 199 | K | A | -1.1834 | |
| 200 | V | A | 0.9498 | |
| 201 | P | A | 0.6781 | |
| 202 | S | A | 0.8593 | |
| 203 | L | A | 2.1411 | |
| 204 | F | A | 1.6848 | |
| 205 | E | A | -0.5708 | |
| 206 | F | A | -0.4830 | |
| 207 | H | A | -1.6885 | |
| 208 | G | A | -1.4094 | |
| 209 | P | A | -0.5345 | |
| 210 | S | A | -0.0513 | |
| 211 | W | A | 0.0782 | |
| 212 | C | A | 0.0000 | |
| 213 | L | A | 1.3793 | |
| 214 | T | A | -0.0029 | |
| 215 | P | A | -0.3798 | |
| 216 | A | A | -0.9293 | |
| 217 | D | A | 0.0000 | |
| 218 | R | A | -2.3944 | |
| 219 | G | A | -0.7439 | |
| 220 | L | A | 0.9418 | |
| 221 | C | A | -0.2562 | |
| 222 | R | A | -1.9493 | |
| 223 | A | A | -2.0301 | |
| 224 | N | A | -3.1616 | |
| 225 | E | A | -3.1951 | |
| 226 | N | A | -2.6862 | |
| 227 | R | A | -2.1620 | |
| 228 | F | A | -1.4917 | |
| 229 | Y | A | -0.9729 | |
| 230 | Y | A | 0.0000 | |
| 231 | N | A | -0.1004 | |
| 232 | S | A | 0.8640 | |
| 233 | V | A | 1.9306 | |
| 234 | I | A | 0.9080 | |
| 235 | G | A | -0.3484 | |
| 236 | K | A | -1.6860 | |
| 237 | C | A | 0.0000 | |
| 238 | R | A | -1.8048 | |
| 239 | P | A | -1.4565 | |
| 240 | F | A | -1.8763 | |
| 241 | K | A | -3.0700 | |
| 242 | Y | A | -2.5194 | |
| 243 | S | A | 0.0000 | |
| 244 | G | A | -1.3778 | |
| 245 | C | A | -0.1542 | |
| 246 | G | A | -0.0204 | |
| 247 | G | A | 0.0000 | |
| 248 | N | A | -1.1878 | |
| 249 | E | A | -1.1723 | |
| 250 | N | A | 0.0000 | |
| 251 | N | A | -1.2244 | |
| 252 | F | A | 0.0000 | |
| 253 | T | A | -1.0361 | |
| 254 | S | A | -1.4470 | |
| 255 | K | A | -2.3894 | |
| 256 | Q | A | -2.3828 | |
| 257 | E | A | -2.2072 | |
| 258 | C | A | 0.0000 | |
| 259 | L | A | -1.9227 | |
| 260 | R | A | -2.2440 | |
| 261 | A | A | -1.5914 | |
| 262 | C | A | 0.0000 | |
| 263 | K | A | -1.9255 | |
| 264 | K | A | -1.8283 | |
| 265 | G | A | -0.3990 | |
| 266 | F | A | 1.1914 | |
| 267 | I | A | 1.5137 | |
| 268 | Q | A | 0.0353 | |
| 269 | R | A | -0.8610 | |
| 270 | I | A | 0.3585 | |
| 271 | S | A | -1.0464 | |
| 272 | K | A | -1.6200 | |
| 273 | G | A | -0.6535 | |
| 274 | G | A | 0.0281 | |
| 275 | L | A | 1.5098 | |
| 276 | I | A | 1.5238 | |
| 277 | K | A | -1.0754 | |
| 278 | T | A | -1.6870 | |
| 279 | K | A | -3.5277 | |
| 280 | R | A | -4.4251 | |
| 281 | K | A | -4.6046 | |
| 282 | R | A | -4.8034 | |
| 283 | K | A | -4.6490 | |
| 284 | K | A | -4.0688 | |
| 285 | Q | A | -3.3634 | |
| 286 | R | A | -2.4232 | |
| 287 | V | A | 0.0721 | |
| 288 | K | A | -0.3284 | |
| 289 | I | A | 1.6011 | |
| 290 | A | A | 0.7385 | |
| 291 | Y | A | 0.5482 | |
| 292 | E | A | -1.0244 | |
| 293 | E | A | -0.5941 | |
| 294 | I | A | 2.0337 | |
| 295 | F | A | 2.4418 | |
| 296 | V | A | 2.0259 | |
| 297 | K | A | -0.5135 | |
| 298 | N | A | -1.0704 | |
| 299 | M | A | -0.0388 | |
| 300 | G | A | -0.6915 | |
| 301 | S | A | -0.7062 | |
| 302 | G | A | -0.9065 | |
| 303 | S | A | -0.4827 | |
| 304 | G | A | -0.1957 | |
| 305 | W | A | 0.6008 | |
| 306 | S | A | -0.4289 | |
| 307 | H | A | -1.0740 | |
| 308 | P | A | -1.1217 | |
| 309 | Q | A | -1.2670 | |
| 310 | F | A | -0.1066 | |
| 311 | E | A | -2.1844 | |
| 312 | K | A | -2.6467 | |
| 313 | G | A | -1.8727 | |
| 314 | G | A | -1.5671 | |
| 315 | G | A | -1.0162 | |
| 316 | S | A | -0.8674 | |
| 317 | G | A | -1.0072 | |
| 318 | G | A | -1.0096 | |
| 319 | G | A | -1.0055 | |
| 320 | S | A | -0.8675 | |
| 321 | G | A | -0.9526 | |
| 322 | G | A | -0.7117 | |
| 323 | S | A | -0.2705 | |
| 324 | A | A | 0.2654 | |
| 325 | W | A | 0.7559 | |
| 326 | S | A | -0.3156 | |
| 327 | H | A | -1.0264 | |
| 328 | P | A | -0.9566 | |
| 329 | Q | A | -1.2708 | |
| 330 | F | A | -0.1004 | |
| 331 | E | A | -2.0621 | |
| 332 | K | A | -2.2974 |
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