| Chain sequence(s) |
A: KNNVVIVATGGTIAGAGASSTNSATYSAAKVPVDALIKAVPQVNDLANITGIQALQVASESITDKELLSLARQVNDLVKKPSVNGVVITHGTDTMEETAFFLNLVVHTDKPIVLVGSMRPSTALSADGPLNLYSAVALASSNEAKNKGVMVLMNDSIFAARDVTKGINIHTHAFVSQWGALGTLVEGKPYWFRSSVKKHTNNSEFNIEKIQGDALPGVQIVYGSDNMMPDAYQAFAKAGVKAIIHAGTGNGSMANYLVPEVRKLHDEQGLQIVRSSRVAQGFVLRNAEQPDDKYGWIAAHDLNPQKARLLMALALTKTNDAKEIQNMFWNY
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 (00:03:18)
[INFO] Main: Simulation completed successfully. (00:03:19)
|
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 | K | A | -2.4230 | |
| 2 | N | A | -1.7164 | |
| 3 | N | A | -1.3183 | |
| 4 | V | A | 0.0000 | |
| 5 | V | A | 0.0000 | |
| 6 | I | A | 0.0000 | |
| 7 | V | A | 0.0000 | |
| 8 | A | A | 0.0000 | |
| 9 | T | A | 0.0000 | |
| 10 | G | A | 0.0000 | |
| 11 | G | A | 0.0000 | |
| 12 | T | A | 0.0000 | |
| 13 | I | A | 0.0000 | |
| 14 | A | A | 0.0000 | |
| 15 | G | A | 0.0000 | |
| 16 | A | A | 0.0000 | |
| 17 | G | A | -0.5710 | |
| 18 | A | A | -0.2311 | |
| 19 | S | A | -0.3231 | |
| 20 | S | A | -0.2570 | |
| 21 | T | A | -0.3105 | |
| 22 | N | A | -0.8760 | |
| 23 | S | A | 0.0000 | |
| 24 | A | A | -0.1597 | |
| 25 | T | A | -0.1735 | |
| 26 | Y | A | 0.1711 | |
| 27 | S | A | -0.2847 | |
| 28 | A | A | -0.5141 | |
| 29 | A | A | -0.7899 | |
| 30 | K | A | -1.6706 | |
| 31 | V | A | -0.9610 | |
| 32 | P | A | -1.0391 | |
| 33 | V | A | 0.0000 | |
| 34 | D | A | -2.2897 | |
| 35 | A | A | -1.5353 | |
| 36 | L | A | 0.0000 | |
| 37 | I | A | 0.0000 | |
| 38 | K | A | -2.4832 | |
| 39 | A | A | -1.2832 | |
| 40 | V | A | 0.0000 | |
| 41 | P | A | -1.7386 | |
| 42 | Q | A | -1.9826 | |
| 43 | V | A | 0.0000 | |
| 44 | N | A | -2.3964 | |
| 45 | D | A | -2.6998 | |
| 46 | L | A | -1.6440 | |
| 47 | A | A | 0.0000 | |
| 48 | N | A | -1.7320 | |
| 49 | I | A | -0.8079 | |
| 50 | T | A | -0.4093 | |
| 51 | G | A | -0.4248 | |
| 52 | I | A | -0.0810 | |
| 53 | Q | A | -0.5411 | |
| 54 | A | A | -0.1533 | |
| 55 | L | A | 0.0105 | |
| 56 | Q | A | -0.4444 | |
| 57 | V | A | -0.2370 | |
| 58 | A | A | -0.7723 | |
| 59 | S | A | 0.0000 | |
| 60 | E | A | -2.3340 | |
| 61 | S | A | -1.1492 | |
| 62 | I | A | -0.8031 | |
| 63 | T | A | -1.3488 | |
| 64 | D | A | -1.8643 | |
| 65 | K | A | -2.7646 | |
| 66 | E | A | -1.4811 | |
| 67 | L | A | 0.0000 | |
| 68 | L | A | 0.0000 | |
| 69 | S | A | -1.4056 | |
| 70 | L | A | 0.0000 | |
| 71 | A | A | 0.0000 | |
| 72 | R | A | -1.8663 | |
| 73 | Q | A | -1.3815 | |
| 74 | V | A | 0.0000 | |
| 75 | N | A | -2.4428 | |
| 76 | D | A | -3.1684 | |
| 77 | L | A | 0.0000 | |
| 78 | V | A | 0.0000 | |
| 79 | K | A | -3.0339 | |
| 80 | K | A | -2.4828 | |
| 81 | P | A | -1.3821 | |
| 82 | S | A | -1.1633 | |
| 83 | V | A | 0.0000 | |
| 84 | N | A | -1.9192 | |
| 85 | G | A | 0.0000 | |
| 86 | V | A | 0.0000 | |
| 87 | V | A | 0.0000 | |
| 88 | I | A | 0.0000 | |
| 89 | T | A | 0.0000 | |
| 90 | H | A | 0.0000 | |
| 91 | G | A | 0.0000 | |
| 92 | T | A | 0.0000 | |
| 93 | D | A | -2.5650 | |
| 94 | T | A | -1.4826 | |
| 95 | M | A | 0.0000 | |
| 96 | E | A | 0.0000 | |
| 97 | E | A | 0.0000 | |
| 98 | T | A | 0.0000 | |
| 99 | A | A | 0.0000 | |
| 100 | F | A | 0.0000 | |
| 101 | F | A | 0.0000 | |
| 102 | L | A | 0.0000 | |
| 103 | N | A | 0.0000 | |
| 104 | L | A | 0.0000 | |
| 105 | V | A | 0.0000 | |
| 106 | V | A | 0.0000 | |
| 107 | H | A | -2.1682 | |
| 108 | T | A | -2.4286 | |
| 109 | D | A | -3.4245 | |
| 110 | K | A | -2.6030 | |
| 111 | P | A | 0.0000 | |
| 112 | I | A | 0.0000 | |
| 113 | V | A | 0.0000 | |
| 114 | L | A | 0.0000 | |
| 115 | V | A | 0.0000 | |
| 116 | G | A | 0.0000 | |
| 117 | S | A | 0.0000 | |
| 118 | M | A | 0.0000 | |
| 119 | R | A | -0.3249 | |
| 120 | P | A | 0.0000 | |
| 121 | S | A | -0.2994 | |
| 122 | T | A | -0.1526 | |
| 123 | A | A | 0.0000 | |
| 124 | L | A | 0.9357 | |
| 125 | S | A | 0.2213 | |
| 126 | A | A | 0.2129 | |
| 127 | D | A | 0.0000 | |
| 128 | G | A | 0.0000 | |
| 129 | P | A | 0.5688 | |
| 130 | L | A | 1.0588 | |
| 131 | N | A | 0.0000 | |
| 132 | L | A | 0.0000 | |
| 133 | Y | A | 0.1154 | |
| 134 | S | A | 0.0000 | |
| 135 | A | A | 0.0000 | |
| 136 | V | A | 0.0000 | |
| 137 | A | A | 0.0000 | |
| 138 | L | A | 0.0000 | |
| 139 | A | A | 0.0000 | |
| 140 | S | A | 0.0000 | |
| 141 | S | A | -1.8902 | |
| 142 | N | A | -2.4631 | |
| 143 | E | A | -2.8787 | |
| 144 | A | A | 0.0000 | |
| 145 | K | A | -3.4316 | |
| 146 | N | A | -3.3275 | |
| 147 | K | A | -2.0776 | |
| 148 | G | A | 0.0000 | |
| 149 | V | A | 0.0000 | |
| 150 | M | A | 0.0000 | |
| 151 | V | A | 0.0000 | |
| 152 | L | A | 0.0000 | |
| 153 | M | A | 0.0000 | |
| 154 | N | A | -1.0635 | |
| 155 | D | A | -1.0815 | |
| 156 | S | A | -0.5164 | |
| 157 | I | A | 0.0000 | |
| 158 | F | A | 0.0000 | |
| 159 | A | A | 0.0000 | |
| 160 | A | A | 0.0000 | |
| 161 | R | A | 0.0000 | |
| 162 | D | A | -0.3348 | |
| 163 | V | A | 0.0000 | |
| 164 | T | A | -0.3957 | |
| 165 | K | A | -0.8867 | |
| 166 | G | A | -0.4718 | |
| 167 | I | A | -0.0969 | |
| 168 | N | A | -1.0247 | |
| 169 | I | A | 0.0236 | |
| 170 | H | A | -0.5879 | |
| 171 | T | A | -0.7158 | |
| 172 | H | A | -0.9548 | |
| 173 | A | A | 0.0000 | |
| 174 | F | A | 0.0000 | |
| 175 | V | A | 0.4703 | |
| 176 | S | A | -0.1127 | |
| 177 | Q | A | -0.4535 | |
| 178 | W | A | -0.1557 | |
| 179 | G | A | -0.0315 | |
| 180 | A | A | 0.0171 | |
| 181 | L | A | 0.0000 | |
| 182 | G | A | 0.0000 | |
| 183 | T | A | 0.1086 | |
| 184 | L | A | 0.0000 | |
| 185 | V | A | -0.8860 | |
| 186 | E | A | -1.8425 | |
| 187 | G | A | -1.4471 | |
| 188 | K | A | -1.5945 | |
| 189 | P | A | -0.8140 | |
| 190 | Y | A | 0.7035 | |
| 191 | W | A | 0.7829 | |
| 192 | F | A | 1.2362 | |
| 193 | R | A | -0.6783 | |
| 194 | S | A | -0.5099 | |
| 195 | S | A | -0.0870 | |
| 196 | V | A | 1.0878 | |
| 197 | K | A | -0.1091 | |
| 198 | K | A | -1.2742 | |
| 199 | H | A | -1.6872 | |
| 200 | T | A | 0.0000 | |
| 201 | N | A | -2.9258 | |
| 202 | N | A | -2.7411 | |
| 203 | S | A | 0.0000 | |
| 204 | E | A | -1.8014 | |
| 205 | F | A | 0.0000 | |
| 206 | N | A | -1.6312 | |
| 207 | I | A | 0.0000 | |
| 208 | E | A | -2.9553 | |
| 209 | K | A | -2.1767 | |
| 210 | I | A | 0.0000 | |
| 211 | Q | A | -2.3743 | |
| 212 | G | A | -2.2652 | |
| 213 | D | A | -3.0180 | |
| 214 | A | A | -1.8604 | |
| 215 | L | A | -0.8785 | |
| 216 | P | A | -0.5769 | |
| 217 | G | A | -0.7844 | |
| 218 | V | A | 0.0000 | |
| 219 | Q | A | -0.7246 | |
| 220 | I | A | 0.2831 | |
| 221 | V | A | 0.0000 | |
| 222 | Y | A | 1.0441 | |
| 223 | G | A | 0.0000 | |
| 224 | S | A | -1.1498 | |
| 225 | D | A | -2.3000 | |
| 226 | N | A | -1.7578 | |
| 227 | M | A | -0.4746 | |
| 228 | M | A | -0.0529 | |
| 229 | P | A | -0.7604 | |
| 230 | D | A | -1.8001 | |
| 231 | A | A | -0.9594 | |
| 232 | Y | A | 0.0000 | |
| 233 | Q | A | -2.1539 | |
| 234 | A | A | -1.4711 | |
| 235 | F | A | -1.1290 | |
| 236 | A | A | -1.7657 | |
| 237 | K | A | -2.1377 | |
| 238 | A | A | -1.1540 | |
| 239 | G | A | -1.4345 | |
| 240 | V | A | -1.1537 | |
| 241 | K | A | -1.8919 | |
| 242 | A | A | 0.0000 | |
| 243 | I | A | 0.0000 | |
| 244 | I | A | 0.0000 | |
| 245 | H | A | 0.0000 | |
| 246 | A | A | 0.0000 | |
| 247 | G | A | 0.0000 | |
| 248 | T | A | -0.8109 | |
| 249 | G | A | -1.0003 | |
| 250 | N | A | -1.4037 | |
| 251 | G | A | 0.0000 | |
| 252 | S | A | -1.2038 | |
| 253 | M | A | 0.0000 | |
| 254 | A | A | -0.6825 | |
| 255 | N | A | -0.9527 | |
| 256 | Y | A | 0.1594 | |
| 257 | L | A | 0.0000 | |
| 258 | V | A | 0.0000 | |
| 259 | P | A | -1.1676 | |
| 260 | E | A | -1.7597 | |
| 261 | V | A | 0.0000 | |
| 262 | R | A | -2.6158 | |
| 263 | K | A | -3.4441 | |
| 264 | L | A | 0.0000 | |
| 265 | H | A | -2.9952 | |
| 266 | D | A | -3.9279 | |
| 267 | E | A | -3.9500 | |
| 268 | Q | A | -3.5737 | |
| 269 | G | A | -2.8674 | |
| 270 | L | A | 0.0000 | |
| 271 | Q | A | -1.4313 | |
| 272 | I | A | 0.0000 | |
| 273 | V | A | 0.0000 | |
| 274 | R | A | 0.0000 | |
| 275 | S | A | 0.0000 | |
| 276 | S | A | 0.0000 | |
| 277 | R | A | -1.3195 | |
| 278 | V | A | -0.0381 | |
| 279 | A | A | -0.5059 | |
| 280 | Q | A | -1.0701 | |
| 281 | G | A | -0.3840 | |
| 282 | F | A | 0.3750 | |
| 283 | V | A | 0.0000 | |
| 284 | L | A | 0.3107 | |
| 285 | R | A | -0.9639 | |
| 286 | N | A | -2.1107 | |
| 287 | A | A | -1.1468 | |
| 288 | E | A | -1.7221 | |
| 289 | Q | A | -1.6331 | |
| 290 | P | A | -2.0793 | |
| 291 | D | A | 0.0000 | |
| 292 | D | A | -3.1970 | |
| 293 | K | A | -2.7377 | |
| 294 | Y | A | -1.8916 | |
| 295 | G | A | -1.9121 | |
| 296 | W | A | 0.0000 | |
| 297 | I | A | 0.0000 | |
| 298 | A | A | 0.0000 | |
| 299 | A | A | 0.0000 | |
| 300 | H | A | 0.1232 | |
| 301 | D | A | -0.0114 | |
| 302 | L | A | 0.0000 | |
| 303 | N | A | -0.6736 | |
| 304 | P | A | 0.0000 | |
| 305 | Q | A | -0.5304 | |
| 306 | K | A | 0.0000 | |
| 307 | A | A | 0.0000 | |
| 308 | R | A | -0.7877 | |
| 309 | L | A | 0.0000 | |
| 310 | L | A | 0.0000 | |
| 311 | M | A | 0.0000 | |
| 312 | A | A | 0.0000 | |
| 313 | L | A | 0.0000 | |
| 314 | A | A | 0.0000 | |
| 315 | L | A | 0.0000 | |
| 316 | T | A | -1.0056 | |
| 317 | K | A | -2.2400 | |
| 318 | T | A | -2.3545 | |
| 319 | N | A | -3.0013 | |
| 320 | D | A | -3.3980 | |
| 321 | A | A | -2.7126 | |
| 322 | K | A | -3.5645 | |
| 323 | E | A | -3.5875 | |
| 324 | I | A | 0.0000 | |
| 325 | Q | A | 0.0000 | |
| 326 | N | A | -1.7857 | |
| 327 | M | A | 0.0000 | |
| 328 | F | A | 0.0000 | |
| 329 | W | A | -0.2881 | |
| 330 | N | A | -0.4054 | |
| 331 | Y | A | 0.0000 |
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