| Chain sequence(s) |
A: MVLALKDKWIWDFWTYRDGDDYHIYFLQADNTLAHPDMRHRNVTQGHAVSKDLINWTHLGTTFAPAAPTAWDDWTTWTGSTLRDDTGLWHLFYTGTEHAEEGMKQRIGHATSTDGHNWTRVGNGLALDISGPDYEEYTPGHWHDRAFRDPWVMKNPKGDGWIMYMVARQPGTAEPNAGGTVGFATSPDLNTWTLQPPVYKGGMFGQMEVPQVFEVNGKWYMLFCTDGSHWSEAYKKLNPETPVRGSHYLMADDPRGPWEVAPGPFFDGAQGSRYAGKIVETDNGLVFMGFLHDAADGSFIGQVSDPIPVRVDADGLLHTELDKLPAGTKV
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] (00:00:00)
[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 Aggrescan3D on folded.pdb (00:00:01)
[INFO] Main: Simulation completed successfully. (00:00:06)
|
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 | 0.7776 | |
| 2 | V | A | 0.3625 | |
| 3 | L | A | 0.0000 | |
| 4 | A | A | -0.4033 | |
| 5 | L | A | -1.5359 | |
| 6 | K | A | -2.7627 | |
| 7 | D | A | -3.2122 | |
| 8 | K | A | -2.3357 | |
| 9 | W | A | -1.0470 | |
| 10 | I | A | 0.0000 | |
| 11 | W | A | 0.0000 | |
| 12 | D | A | -0.2179 | |
| 13 | F | A | 0.0000 | |
| 14 | W | A | 0.0000 | |
| 15 | T | A | -0.2758 | |
| 16 | Y | A | -0.6454 | |
| 17 | R | A | -2.0781 | |
| 18 | D | A | -1.8750 | |
| 19 | G | A | -2.1685 | |
| 20 | D | A | -3.4533 | |
| 21 | D | A | -2.7641 | |
| 22 | Y | A | 0.0000 | |
| 23 | H | A | -0.7872 | |
| 24 | I | A | 0.0000 | |
| 25 | Y | A | 0.0000 | |
| 26 | F | A | 0.0000 | |
| 27 | L | A | 0.0000 | |
| 28 | Q | A | 0.0000 | |
| 29 | A | A | 0.0000 | |
| 30 | D | A | -2.3319 | |
| 31 | N | A | -1.9106 | |
| 32 | T | A | -1.1066 | |
| 33 | L | A | -0.7976 | |
| 34 | A | A | -0.6292 | |
| 35 | H | A | -1.3067 | |
| 36 | P | A | -1.3054 | |
| 37 | D | A | -2.0372 | |
| 38 | M | A | -1.1874 | |
| 39 | R | A | 0.0000 | |
| 40 | H | A | -1.1423 | |
| 41 | R | A | -1.2479 | |
| 42 | N | A | -1.4956 | |
| 43 | V | A | 0.0000 | |
| 44 | T | A | -0.4322 | |
| 45 | Q | A | 0.0000 | |
| 46 | G | A | 0.0000 | |
| 47 | H | A | 0.0000 | |
| 48 | A | A | 0.0000 | |
| 49 | V | A | -0.4607 | |
| 50 | S | A | 0.0000 | |
| 51 | K | A | -3.1346 | |
| 52 | D | A | -2.2252 | |
| 53 | L | A | 0.0000 | |
| 54 | I | A | 0.0621 | |
| 55 | N | A | -1.0990 | |
| 56 | W | A | -0.4492 | |
| 57 | T | A | -0.3087 | |
| 58 | H | A | -0.1271 | |
| 59 | L | A | 0.5853 | |
| 60 | G | A | 0.1286 | |
| 61 | T | A | -0.1567 | |
| 62 | T | A | 0.0000 | |
| 63 | F | A | 0.0000 | |
| 64 | A | A | -0.0848 | |
| 65 | P | A | -0.1839 | |
| 66 | A | A | -0.2884 | |
| 67 | A | A | -0.0940 | |
| 68 | P | A | -0.4435 | |
| 69 | T | A | -0.3600 | |
| 70 | A | A | -0.3711 | |
| 71 | W | A | -0.3625 | |
| 72 | D | A | 0.0000 | |
| 73 | D | A | -0.4285 | |
| 74 | W | A | -0.8610 | |
| 75 | T | A | 0.0000 | |
| 76 | T | A | 0.0000 | |
| 77 | W | A | -0.0087 | |
| 78 | T | A | 0.0000 | |
| 79 | G | A | 0.0000 | |
| 80 | S | A | 0.0000 | |
| 81 | T | A | 0.0000 | |
| 82 | L | A | 0.0000 | |
| 83 | R | A | -1.3275 | |
| 84 | D | A | -1.6971 | |
| 85 | D | A | -2.1999 | |
| 86 | T | A | -1.0385 | |
| 87 | G | A | -0.9619 | |
| 88 | L | A | -0.4717 | |
| 89 | W | A | 0.0000 | |
| 90 | H | A | 0.0000 | |
| 91 | L | A | 0.0000 | |
| 92 | F | A | 0.0000 | |
| 93 | Y | A | 0.0000 | |
| 94 | T | A | 0.0000 | |
| 95 | G | A | 0.0000 | |
| 96 | T | A | 0.0000 | |
| 97 | E | A | -1.2843 | |
| 98 | H | A | -1.8227 | |
| 99 | A | A | -1.2566 | |
| 100 | E | A | -1.6520 | |
| 101 | E | A | -2.3957 | |
| 102 | G | A | 0.0000 | |
| 103 | M | A | -1.0521 | |
| 104 | K | A | -0.9930 | |
| 105 | Q | A | 0.0000 | |
| 106 | R | A | -0.2749 | |
| 107 | I | A | 0.0000 | |
| 108 | G | A | 0.0000 | |
| 109 | H | A | 0.0000 | |
| 110 | A | A | 0.0000 | |
| 111 | T | A | -0.3349 | |
| 112 | S | A | 0.0000 | |
| 113 | T | A | -1.0076 | |
| 114 | D | A | -1.8522 | |
| 115 | G | A | 0.0000 | |
| 116 | H | A | -1.1451 | |
| 117 | N | A | -1.7045 | |
| 118 | W | A | -0.8352 | |
| 119 | T | A | -0.5573 | |
| 120 | R | A | -0.4466 | |
| 121 | V | A | -0.2368 | |
| 122 | G | A | -0.8990 | |
| 123 | N | A | -1.2011 | |
| 124 | G | A | 0.0000 | |
| 125 | L | A | 0.0923 | |
| 126 | A | A | -0.2365 | |
| 127 | L | A | 0.0000 | |
| 128 | D | A | -0.3672 | |
| 129 | I | A | -0.6201 | |
| 130 | S | A | -0.7936 | |
| 131 | G | A | -0.9239 | |
| 132 | P | A | -1.1586 | |
| 133 | D | A | -1.6858 | |
| 134 | Y | A | 0.0000 | |
| 135 | E | A | 0.0000 | |
| 136 | E | A | -1.3543 | |
| 137 | Y | A | -0.6288 | |
| 138 | T | A | -0.6666 | |
| 139 | P | A | -0.8304 | |
| 140 | G | A | -0.8941 | |
| 141 | H | A | -0.8219 | |
| 142 | W | A | 0.0000 | |
| 143 | H | A | -1.1934 | |
| 144 | D | A | -1.0698 | |
| 145 | R | A | 0.0000 | |
| 146 | A | A | 0.0000 | |
| 147 | F | A | 0.0000 | |
| 148 | R | A | 0.0000 | |
| 149 | D | A | 0.0000 | |
| 150 | P | A | 0.0000 | |
| 151 | W | A | 0.1786 | |
| 152 | V | A | 0.0000 | |
| 153 | M | A | -0.6019 | |
| 154 | K | A | -2.3281 | |
| 155 | N | A | -2.1263 | |
| 156 | P | A | -2.0108 | |
| 157 | K | A | -2.7594 | |
| 158 | G | A | -2.3818 | |
| 159 | D | A | -2.8297 | |
| 160 | G | A | -2.0070 | |
| 161 | W | A | -1.6238 | |
| 162 | I | A | 0.0000 | |
| 163 | M | A | 0.0000 | |
| 164 | Y | A | 0.0000 | |
| 165 | M | A | 0.0000 | |
| 166 | V | A | 0.0000 | |
| 167 | A | A | 0.0000 | |
| 168 | R | A | 0.0000 | |
| 169 | Q | A | -1.3570 | |
| 170 | P | A | -0.9611 | |
| 171 | G | A | -0.7743 | |
| 172 | T | A | -0.6192 | |
| 173 | A | A | -0.4513 | |
| 174 | E | A | -1.0121 | |
| 175 | P | A | -0.8056 | |
| 176 | N | A | -0.8169 | |
| 177 | A | A | -0.8608 | |
| 178 | G | A | 0.0000 | |
| 179 | G | A | 0.0000 | |
| 180 | T | A | 0.0000 | |
| 181 | V | A | 0.0000 | |
| 182 | G | A | 0.0000 | |
| 183 | F | A | 0.0000 | |
| 184 | A | A | 0.0000 | |
| 185 | T | A | -0.5883 | |
| 186 | S | A | 0.0000 | |
| 187 | P | A | -1.6196 | |
| 188 | D | A | -1.9642 | |
| 189 | L | A | 0.0000 | |
| 190 | N | A | -1.5866 | |
| 191 | T | A | -1.0565 | |
| 192 | W | A | 0.0000 | |
| 193 | T | A | -0.1733 | |
| 194 | L | A | -0.2846 | |
| 195 | Q | A | -0.5671 | |
| 196 | P | A | -0.8760 | |
| 197 | P | A | -0.9326 | |
| 198 | V | A | -0.7313 | |
| 199 | Y | A | 0.0000 | |
| 200 | K | A | -2.1080 | |
| 201 | G | A | -1.1487 | |
| 202 | G | A | -0.8222 | |
| 203 | M | A | -0.4184 | |
| 204 | F | A | 0.0000 | |
| 205 | G | A | 0.0000 | |
| 206 | Q | A | 0.0000 | |
| 207 | M | A | 0.0000 | |
| 208 | E | A | -0.3012 | |
| 209 | V | A | 0.0000 | |
| 210 | P | A | 0.0000 | |
| 211 | Q | A | 0.0000 | |
| 212 | V | A | 0.0000 | |
| 213 | F | A | -0.7328 | |
| 214 | E | A | -2.1036 | |
| 215 | V | A | -1.2538 | |
| 216 | N | A | -1.8144 | |
| 217 | G | A | -2.0386 | |
| 218 | K | A | -2.0587 | |
| 219 | W | A | 0.0000 | |
| 220 | Y | A | 0.0000 | |
| 221 | M | A | 0.0000 | |
| 222 | L | A | 0.0000 | |
| 223 | F | A | 0.0000 | |
| 224 | C | A | 0.0000 | |
| 225 | T | A | 0.0000 | |
| 226 | D | A | -0.8011 | |
| 227 | G | A | -0.6226 | |
| 228 | S | A | -0.5588 | |
| 229 | H | A | -0.7089 | |
| 230 | W | A | 0.0000 | |
| 231 | S | A | 0.0000 | |
| 232 | E | A | -2.1155 | |
| 233 | A | A | -1.0807 | |
| 234 | Y | A | 0.0000 | |
| 235 | K | A | -1.7815 | |
| 236 | K | A | -1.8316 | |
| 237 | L | A | 0.0611 | |
| 238 | N | A | 0.0000 | |
| 239 | P | A | -1.2680 | |
| 240 | E | A | -1.5858 | |
| 241 | T | A | -0.8177 | |
| 242 | P | A | -0.7702 | |
| 243 | V | A | -0.5504 | |
| 244 | R | A | -0.7406 | |
| 245 | G | A | 0.0000 | |
| 246 | S | A | 0.0000 | |
| 247 | H | A | 0.0000 | |
| 248 | Y | A | 0.0000 | |
| 249 | L | A | 0.0000 | |
| 250 | M | A | -1.1671 | |
| 251 | A | A | 0.0000 | |
| 252 | D | A | -2.6866 | |
| 253 | D | A | -2.4647 | |
| 254 | P | A | 0.0000 | |
| 255 | R | A | -1.9170 | |
| 256 | G | A | -1.6361 | |
| 257 | P | A | -1.5767 | |
| 258 | W | A | 0.0000 | |
| 259 | E | A | -1.9624 | |
| 260 | V | A | -0.7177 | |
| 261 | A | A | 0.0000 | |
| 262 | P | A | -0.4236 | |
| 263 | G | A | -0.5457 | |
| 264 | P | A | -0.7431 | |
| 265 | F | A | 0.0000 | |
| 266 | F | A | 0.0000 | |
| 267 | D | A | 0.0000 | |
| 268 | G | A | -0.6758 | |
| 269 | A | A | -0.8735 | |
| 270 | Q | A | -1.2623 | |
| 271 | G | A | -1.0376 | |
| 272 | S | A | -0.4818 | |
| 273 | R | A | 0.0000 | |
| 274 | Y | A | -0.2214 | |
| 275 | A | A | 0.0000 | |
| 276 | G | A | 0.0000 | |
| 277 | K | A | 0.0000 | |
| 278 | I | A | 0.0000 | |
| 279 | V | A | 0.0000 | |
| 280 | E | A | -2.4147 | |
| 281 | T | A | -2.6218 | |
| 282 | D | A | -3.0240 | |
| 283 | N | A | -2.4962 | |
| 284 | G | A | -1.9563 | |
| 285 | L | A | -1.2265 | |
| 286 | V | A | -0.6115 | |
| 287 | F | A | 0.0000 | |
| 288 | M | A | 0.0000 | |
| 289 | G | A | 0.0000 | |
| 290 | F | A | 0.0000 | |
| 291 | L | A | -0.0978 | |
| 292 | H | A | -0.2847 | |
| 293 | D | A | -0.7944 | |
| 294 | A | A | -0.8294 | |
| 295 | A | A | -1.0506 | |
| 296 | D | A | -2.0750 | |
| 297 | G | A | -1.4161 | |
| 298 | S | A | -0.8427 | |
| 299 | F | A | -0.5672 | |
| 300 | I | A | 0.2459 | |
| 301 | G | A | 0.0000 | |
| 302 | Q | A | -0.0606 | |
| 303 | V | A | 0.0000 | |
| 304 | S | A | 0.0000 | |
| 305 | D | A | 0.0000 | |
| 306 | P | A | 0.1585 | |
| 307 | I | A | 0.0000 | |
| 308 | P | A | -0.9116 | |
| 309 | V | A | 0.0000 | |
| 310 | R | A | -0.9869 | |
| 311 | V | A | -0.6527 | |
| 312 | D | A | -1.0324 | |
| 313 | A | A | -1.0012 | |
| 314 | D | A | -1.7840 | |
| 315 | G | A | -1.2231 | |
| 316 | L | A | -0.6613 | |
| 317 | L | A | 0.0000 | |
| 318 | H | A | -0.5595 | |
| 319 | T | A | -0.8531 | |
| 320 | E | A | -1.3344 | |
| 321 | L | A | -1.1647 | |
| 322 | D | A | -2.4298 | |
| 323 | K | A | -2.4332 | |
| 324 | L | A | -1.3708 | |
| 325 | P | A | -1.0373 | |
| 326 | A | A | -0.8415 | |
| 327 | G | A | -0.7191 | |
| 328 | T | A | -0.5433 | |
| 329 | K | A | -1.2505 | |
| 330 | V | A | -0.3086 |
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