| Chain sequence(s) |
A: NEESHKKIAKIFKDSKFGAISSVLNDIFSRLDKVEAEVQIDRLITGRLAALLAIIIIAALKGNPEEWLKYARQFCTMYICGDSTECSNLLLQYGSFCELLEELAKYAKQGNYEEAAKRAWEIIKKSKFGAISSVLNDIFSRLDKVEAEVQIDRLITGRLELILAAIAFIVAAKGNEEAAELLIRHCTMYICGDSTECSNLLLQYGSFCEAFEYLVQALKKGNVEEAAKKIAKLLSESKFGAISSVLNDIFSRLDKVEAEVQIDRLITGRLAFIVIIVAAAIAIKGDEEVAKELKKYCTMYICGDSTECSNLLLQYGSFCEIAELARKG
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | No |
| 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] runJob: FoldX not utilized. Treating input pdb file as it was already optimized. (00:00:01)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:00:02)
[INFO] Main: Simulation completed successfully. (00:00:05)
|
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 | N | A | -3.4208 | |
| 2 | E | A | -4.1233 | |
| 3 | E | A | -4.2097 | |
| 4 | S | A | 0.0000 | |
| 5 | H | A | -3.4006 | |
| 6 | K | A | -4.1978 | |
| 7 | K | A | -3.6183 | |
| 8 | I | A | 0.0000 | |
| 9 | A | A | -2.6478 | |
| 10 | K | A | -3.5815 | |
| 11 | I | A | -2.3932 | |
| 12 | F | A | 0.0000 | |
| 13 | K | A | -3.0684 | |
| 14 | D | A | -2.9225 | |
| 15 | S | A | 0.0000 | |
| 16 | K | A | -1.4342 | |
| 17 | F | A | 0.0000 | |
| 18 | G | A | -0.4381 | |
| 19 | A | A | 0.0000 | |
| 20 | I | A | 0.6577 | |
| 21 | S | A | 0.0000 | |
| 22 | S | A | -0.6224 | |
| 23 | V | A | 0.6876 | |
| 24 | L | A | 0.0000 | |
| 25 | N | A | -1.4169 | |
| 26 | D | A | -0.5706 | |
| 27 | I | A | 0.0000 | |
| 28 | F | A | -1.4096 | |
| 29 | S | A | -1.6820 | |
| 30 | R | A | -2.4678 | |
| 31 | L | A | -1.8654 | |
| 32 | D | A | -2.7600 | |
| 33 | K | A | -2.1647 | |
| 34 | V | A | -0.0878 | |
| 35 | E | A | -1.5225 | |
| 36 | A | A | 0.0000 | |
| 37 | E | A | -0.8557 | |
| 38 | V | A | 0.4151 | |
| 39 | Q | A | 0.1134 | |
| 40 | I | A | 0.0000 | |
| 41 | D | A | -0.3797 | |
| 42 | R | A | -0.6136 | |
| 43 | L | A | 0.0000 | |
| 44 | I | A | 0.0000 | |
| 45 | T | A | -0.3170 | |
| 46 | G | A | -0.4194 | |
| 47 | R | A | 0.0000 | |
| 48 | L | A | 0.0000 | |
| 49 | A | A | 0.0008 | |
| 50 | A | A | 0.0000 | |
| 51 | L | A | 0.0000 | |
| 52 | L | A | 0.0000 | |
| 53 | A | A | 0.0000 | |
| 54 | I | A | 0.0000 | |
| 55 | I | A | 0.0000 | |
| 56 | I | A | 0.0000 | |
| 57 | I | A | -0.1949 | |
| 58 | A | A | -1.0846 | |
| 59 | A | A | 0.0000 | |
| 60 | L | A | -0.6110 | |
| 61 | K | A | -1.5899 | |
| 62 | G | A | -1.8873 | |
| 63 | N | A | -2.6491 | |
| 64 | P | A | -2.6521 | |
| 65 | E | A | -3.7489 | |
| 66 | E | A | -3.4150 | |
| 67 | W | A | -2.0428 | |
| 68 | L | A | -2.4401 | |
| 69 | K | A | -3.0350 | |
| 70 | Y | A | -0.9574 | |
| 71 | A | A | 0.0000 | |
| 72 | R | A | -2.9641 | |
| 73 | Q | A | -1.6593 | |
| 74 | F | A | 0.0391 | |
| 75 | C | A | 0.0000 | |
| 76 | T | A | 0.0477 | |
| 77 | M | A | 0.5657 | |
| 78 | Y | A | 0.3670 | |
| 79 | I | A | 0.0000 | |
| 80 | C | A | 0.0000 | |
| 81 | G | A | -0.5668 | |
| 82 | D | A | -2.0197 | |
| 83 | S | A | -1.6262 | |
| 84 | T | A | -1.6564 | |
| 85 | E | A | -2.5789 | |
| 86 | C | A | 0.0000 | |
| 87 | S | A | -1.1651 | |
| 88 | N | A | -1.5996 | |
| 89 | L | A | 0.0000 | |
| 90 | L | A | 0.0000 | |
| 91 | L | A | 0.4863 | |
| 92 | Q | A | -0.7336 | |
| 93 | Y | A | -0.5511 | |
| 94 | G | A | -0.9051 | |
| 95 | S | A | -0.7551 | |
| 96 | F | A | 0.0000 | |
| 97 | C | A | -1.1411 | |
| 98 | E | A | -2.1257 | |
| 99 | L | A | 0.0000 | |
| 100 | L | A | 0.0000 | |
| 101 | E | A | -2.3255 | |
| 102 | E | A | -1.9354 | |
| 103 | L | A | 0.0000 | |
| 104 | A | A | -2.3501 | |
| 105 | K | A | -2.4755 | |
| 106 | Y | A | -2.3587 | |
| 107 | A | A | -2.6042 | |
| 108 | K | A | -3.2125 | |
| 109 | Q | A | -2.7105 | |
| 110 | G | A | -2.6194 | |
| 111 | N | A | -2.5217 | |
| 112 | Y | A | -2.9874 | |
| 113 | E | A | -3.0642 | |
| 114 | E | A | -2.4532 | |
| 115 | A | A | 0.0000 | |
| 116 | A | A | 0.0000 | |
| 117 | K | A | -2.8683 | |
| 118 | R | A | -2.8534 | |
| 119 | A | A | 0.0000 | |
| 120 | W | A | -1.8683 | |
| 121 | E | A | -2.6252 | |
| 122 | I | A | -2.1395 | |
| 123 | I | A | 0.0000 | |
| 124 | K | A | -2.7592 | |
| 125 | K | A | -2.6962 | |
| 126 | S | A | 0.0000 | |
| 127 | K | A | -1.5638 | |
| 128 | F | A | 0.0000 | |
| 129 | G | A | -0.5306 | |
| 130 | A | A | 0.0000 | |
| 131 | I | A | 0.5515 | |
| 132 | S | A | 0.0000 | |
| 133 | S | A | -0.6418 | |
| 134 | V | A | 0.7142 | |
| 135 | L | A | 0.0000 | |
| 136 | N | A | -1.2251 | |
| 137 | D | A | -0.5981 | |
| 138 | I | A | 0.0000 | |
| 139 | F | A | -1.4024 | |
| 140 | S | A | -1.6965 | |
| 141 | R | A | -2.4798 | |
| 142 | L | A | -1.8697 | |
| 143 | D | A | -2.7572 | |
| 144 | K | A | -2.3341 | |
| 145 | V | A | -0.1092 | |
| 146 | E | A | -1.5859 | |
| 147 | A | A | 0.0000 | |
| 148 | E | A | -0.8541 | |
| 149 | V | A | 0.2153 | |
| 150 | Q | A | -0.0629 | |
| 151 | I | A | 0.0000 | |
| 152 | D | A | -0.5100 | |
| 153 | R | A | -0.9454 | |
| 154 | L | A | 0.0000 | |
| 155 | I | A | 0.0000 | |
| 156 | T | A | -0.5465 | |
| 157 | G | A | 0.0000 | |
| 158 | R | A | 0.0000 | |
| 159 | L | A | 0.0000 | |
| 160 | E | A | -0.2082 | |
| 161 | L | A | 0.0000 | |
| 162 | I | A | 0.0000 | |
| 163 | L | A | 0.0000 | |
| 164 | A | A | 0.0000 | |
| 165 | A | A | 0.0000 | |
| 166 | I | A | 0.0000 | |
| 167 | A | A | 0.2426 | |
| 168 | F | A | 0.0000 | |
| 169 | I | A | 0.0000 | |
| 170 | V | A | -0.5415 | |
| 171 | A | A | 0.0000 | |
| 172 | A | A | -1.3325 | |
| 173 | K | A | -2.1203 | |
| 174 | G | A | -2.4040 | |
| 175 | N | A | -3.3898 | |
| 176 | E | A | -3.5781 | |
| 177 | E | A | -3.2228 | |
| 178 | A | A | 0.0000 | |
| 179 | A | A | 0.0000 | |
| 180 | E | A | -2.1622 | |
| 181 | L | A | -1.0536 | |
| 182 | L | A | 0.0000 | |
| 183 | I | A | 0.0000 | |
| 184 | R | A | -1.9850 | |
| 185 | H | A | -0.6524 | |
| 186 | C | A | 0.0000 | |
| 187 | T | A | 0.0361 | |
| 188 | M | A | 0.2195 | |
| 189 | Y | A | -0.2476 | |
| 190 | I | A | 0.0000 | |
| 191 | C | A | 0.0000 | |
| 192 | G | A | -0.6828 | |
| 193 | D | A | -1.8814 | |
| 194 | S | A | -1.7564 | |
| 195 | T | A | -1.7016 | |
| 196 | E | A | -2.6230 | |
| 197 | C | A | 0.0000 | |
| 198 | S | A | -1.1462 | |
| 199 | N | A | -1.6050 | |
| 200 | L | A | 0.0000 | |
| 201 | L | A | 0.0000 | |
| 202 | L | A | 0.3747 | |
| 203 | Q | A | -0.9342 | |
| 204 | Y | A | 0.0000 | |
| 205 | G | A | -0.7692 | |
| 206 | S | A | -0.6421 | |
| 207 | F | A | 0.0000 | |
| 208 | C | A | -0.9834 | |
| 209 | E | A | -1.8873 | |
| 210 | A | A | 0.0000 | |
| 211 | F | A | 0.0000 | |
| 212 | E | A | -1.8304 | |
| 213 | Y | A | -1.0107 | |
| 214 | L | A | 0.0000 | |
| 215 | V | A | -1.3857 | |
| 216 | Q | A | -1.9312 | |
| 217 | A | A | 0.0000 | |
| 218 | L | A | -1.2282 | |
| 219 | K | A | -2.7331 | |
| 220 | K | A | -2.9396 | |
| 221 | G | A | -2.4605 | |
| 222 | N | A | -2.5568 | |
| 223 | V | A | -2.3538 | |
| 224 | E | A | -3.1156 | |
| 225 | E | A | -3.0428 | |
| 226 | A | A | 0.0000 | |
| 227 | A | A | -2.3130 | |
| 228 | K | A | -3.3966 | |
| 229 | K | A | -2.8602 | |
| 230 | I | A | 0.0000 | |
| 231 | A | A | -1.8974 | |
| 232 | K | A | -2.7773 | |
| 233 | L | A | -2.0139 | |
| 234 | L | A | 0.0000 | |
| 235 | S | A | -1.4740 | |
| 236 | E | A | -2.2347 | |
| 237 | S | A | 0.0000 | |
| 238 | K | A | -1.2851 | |
| 239 | F | A | 0.0000 | |
| 240 | G | A | -0.4932 | |
| 241 | A | A | 0.0000 | |
| 242 | I | A | 0.6113 | |
| 243 | S | A | 0.0000 | |
| 244 | S | A | -0.2927 | |
| 245 | V | A | 0.9444 | |
| 246 | L | A | 0.0000 | |
| 247 | N | A | -1.2313 | |
| 248 | D | A | -0.5583 | |
| 249 | I | A | 0.0000 | |
| 250 | F | A | -1.3476 | |
| 251 | S | A | -1.6570 | |
| 252 | R | A | -2.4499 | |
| 253 | L | A | -1.8377 | |
| 254 | D | A | -2.7371 | |
| 255 | K | A | -2.2019 | |
| 256 | V | A | -0.1782 | |
| 257 | E | A | -1.6671 | |
| 258 | A | A | 0.0000 | |
| 259 | E | A | -1.0038 | |
| 260 | V | A | -0.0724 | |
| 261 | Q | A | -0.1448 | |
| 262 | I | A | 0.0000 | |
| 263 | D | A | -0.5839 | |
| 264 | R | A | -0.8992 | |
| 265 | L | A | 0.0000 | |
| 266 | I | A | 0.0000 | |
| 267 | T | A | -0.3829 | |
| 268 | G | A | -0.4615 | |
| 269 | R | A | 0.0000 | |
| 270 | L | A | 0.2163 | |
| 271 | A | A | 0.0770 | |
| 272 | F | A | 0.0000 | |
| 273 | I | A | 0.0000 | |
| 274 | V | A | 0.2901 | |
| 275 | I | A | 0.0000 | |
| 276 | I | A | 0.0000 | |
| 277 | V | A | 0.0000 | |
| 278 | A | A | 0.0000 | |
| 279 | A | A | 0.0000 | |
| 280 | A | A | 0.0000 | |
| 281 | I | A | -0.7533 | |
| 282 | A | A | -0.4196 | |
| 283 | I | A | -0.6861 | |
| 284 | K | A | -2.4890 | |
| 285 | G | A | -2.4204 | |
| 286 | D | A | -3.6775 | |
| 287 | E | A | -4.1589 | |
| 288 | E | A | -4.1776 | |
| 289 | V | A | -3.2630 | |
| 290 | A | A | 0.0000 | |
| 291 | K | A | -4.4003 | |
| 292 | E | A | -3.8407 | |
| 293 | L | A | -2.1729 | |
| 294 | K | A | -2.9140 | |
| 295 | K | A | -2.7963 | |
| 296 | Y | A | -0.8764 | |
| 297 | C | A | 0.0000 | |
| 298 | T | A | 0.2003 | |
| 299 | M | A | 0.3768 | |
| 300 | Y | A | 0.4992 | |
| 301 | I | A | 0.0000 | |
| 302 | C | A | 0.0000 | |
| 303 | G | A | -0.4087 | |
| 304 | D | A | -1.9194 | |
| 305 | S | A | -1.6928 | |
| 306 | T | A | -1.8160 | |
| 307 | E | A | -2.6793 | |
| 308 | C | A | 0.0000 | |
| 309 | S | A | -1.2304 | |
| 310 | N | A | -1.6371 | |
| 311 | L | A | 0.0000 | |
| 312 | L | A | 0.0000 | |
| 313 | L | A | 0.5120 | |
| 314 | Q | A | -0.7048 | |
| 315 | Y | A | 0.0000 | |
| 316 | G | A | -0.6725 | |
| 317 | S | A | -0.2564 | |
| 318 | F | A | -0.0847 | |
| 319 | C | A | -0.6638 | |
| 320 | E | A | -1.5030 | |
| 321 | I | A | 0.0000 | |
| 322 | A | A | -1.1334 | |
| 323 | E | A | -1.9814 | |
| 324 | L | A | -1.4204 | |
| 325 | A | A | 0.0000 | |
| 326 | R | A | -2.4862 | |
| 327 | K | A | -2.5286 | |
| 328 | G | A | -2.5966 |
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