| Chain sequence(s) |
A: PRRAENWDEAEVGAEEAGVEEYGPEEDGGEESGAEESGPEESGPEELGAEEEMEAGRPRPVLRSVNSREPSQVIFCNRSPRVVLPVWLNFDGEPQPYPTLPPGTGRRIHSYRGHLWLFRDAGTHDGLLVNQTELFVPSLNVDGQPIFANITLPVYTLKERCLQVVRSLVKPENYRRLDIVRSLYEDLEDHPNVQKDLERLTQERIAHQRMGDLEGGGGSAAAMDLGKKLLEAARAGQDDEVRILMANGADVNASDRWGWTPLHLAAWWGHLEIVEVLLKRGADVSAADLHGQSPLHLAAMVGHLEIVEVLLKYGADVNAKDTGATPLHLAARSGHLEIVEELLKNGADMNAQDKFGKTTFDISTDNGNEDLAEILQK
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 (00:08:47)
[INFO] Main: Simulation completed successfully. (00:08:50)
|
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 | P | A | -0.9401 | |
| 2 | R | A | -2.6827 | |
| 3 | R | A | -3.0094 | |
| 4 | A | A | -1.7250 | |
| 5 | E | A | -2.0124 | |
| 6 | N | A | -2.2095 | |
| 7 | W | A | -1.0218 | |
| 8 | D | A | -2.3624 | |
| 9 | E | A | -2.6746 | |
| 10 | A | A | 0.0000 | |
| 11 | E | A | -1.6986 | |
| 12 | V | A | -0.8888 | |
| 13 | G | A | -1.3602 | |
| 14 | A | A | 0.0000 | |
| 15 | E | A | -2.6532 | |
| 16 | E | A | -2.3717 | |
| 17 | A | A | -1.6099 | |
| 18 | G | A | -1.7567 | |
| 19 | V | A | -1.9493 | |
| 20 | E | A | -3.0145 | |
| 21 | E | A | -3.0719 | |
| 22 | Y | A | -1.6469 | |
| 23 | G | A | -1.3852 | |
| 24 | P | A | 0.0000 | |
| 25 | E | A | -2.6996 | |
| 26 | E | A | -2.6260 | |
| 27 | D | A | -3.0631 | |
| 28 | G | A | -2.3844 | |
| 29 | G | A | -2.8349 | |
| 30 | E | A | -3.5883 | |
| 31 | E | A | -3.1478 | |
| 32 | S | A | -1.9018 | |
| 33 | G | A | -1.6072 | |
| 34 | A | A | -2.0524 | |
| 35 | E | A | -2.3429 | |
| 36 | E | A | -2.8932 | |
| 37 | S | A | -2.2820 | |
| 38 | G | A | -1.7871 | |
| 39 | P | A | -2.5851 | |
| 40 | E | A | -3.5333 | |
| 41 | E | A | -3.4585 | |
| 42 | S | A | -2.2794 | |
| 43 | G | A | -2.1539 | |
| 44 | P | A | -2.2434 | |
| 45 | E | A | -2.7544 | |
| 46 | E | A | -2.4637 | |
| 47 | L | A | -0.4137 | |
| 48 | G | A | -1.0394 | |
| 49 | A | A | -1.4391 | |
| 50 | E | A | -3.6457 | |
| 51 | E | A | -4.0707 | |
| 52 | E | A | -3.8825 | |
| 53 | M | A | -3.1433 | |
| 54 | E | A | -3.3331 | |
| 55 | A | A | -2.4249 | |
| 56 | G | A | -2.2636 | |
| 57 | R | A | -2.8837 | |
| 58 | P | A | -1.6615 | |
| 59 | R | A | -1.0772 | |
| 60 | P | A | -0.6920 | |
| 61 | V | A | 0.0226 | |
| 62 | L | A | 0.0000 | |
| 63 | R | A | -0.2785 | |
| 64 | S | A | 0.0000 | |
| 65 | V | A | -0.2703 | |
| 66 | N | A | -1.1182 | |
| 67 | S | A | -1.1956 | |
| 68 | R | A | -1.6644 | |
| 69 | E | A | -1.3972 | |
| 70 | P | A | -1.1518 | |
| 71 | S | A | 0.0000 | |
| 72 | Q | A | -1.1988 | |
| 73 | V | A | 0.0000 | |
| 74 | I | A | -0.5315 | |
| 75 | F | A | 0.0000 | |
| 76 | C | A | 0.0000 | |
| 77 | N | A | 0.0000 | |
| 78 | R | A | -0.4649 | |
| 79 | S | A | 0.0000 | |
| 80 | P | A | -0.6821 | |
| 81 | R | A | -0.5280 | |
| 82 | V | A | 0.2218 | |
| 83 | V | A | 0.0000 | |
| 84 | L | A | 0.0827 | |
| 85 | P | A | 0.0000 | |
| 86 | V | A | 0.0000 | |
| 87 | W | A | 0.0000 | |
| 88 | L | A | 0.0000 | |
| 89 | N | A | -1.1807 | |
| 90 | F | A | 0.0000 | |
| 91 | D | A | -0.8991 | |
| 92 | G | A | 0.0000 | |
| 93 | E | A | -1.5286 | |
| 94 | P | A | -1.0785 | |
| 95 | Q | A | -1.1512 | |
| 96 | P | A | -0.4993 | |
| 97 | Y | A | -0.0825 | |
| 98 | P | A | -0.0340 | |
| 99 | T | A | 0.1131 | |
| 100 | L | A | 0.0000 | |
| 101 | P | A | -0.1361 | |
| 102 | P | A | -0.3938 | |
| 103 | G | A | -0.5715 | |
| 104 | T | A | -0.6189 | |
| 105 | G | A | 0.0000 | |
| 106 | R | A | -1.7455 | |
| 107 | R | A | -2.2415 | |
| 108 | I | A | 0.0000 | |
| 109 | H | A | -2.1251 | |
| 110 | S | A | 0.0000 | |
| 111 | Y | A | -1.0915 | |
| 112 | R | A | -0.7825 | |
| 113 | G | A | 0.0000 | |
| 114 | H | A | 0.0000 | |
| 115 | L | A | 0.0000 | |
| 116 | W | A | 0.0000 | |
| 117 | L | A | 0.0000 | |
| 118 | F | A | 0.0000 | |
| 119 | R | A | 0.0000 | |
| 120 | D | A | 0.0000 | |
| 121 | A | A | -0.1863 | |
| 122 | G | A | -0.5303 | |
| 123 | T | A | -0.5705 | |
| 124 | H | A | -0.5433 | |
| 125 | D | A | 0.0000 | |
| 126 | G | A | -0.3304 | |
| 127 | L | A | 0.0000 | |
| 128 | L | A | -0.4250 | |
| 129 | V | A | 0.0000 | |
| 130 | N | A | -1.3963 | |
| 131 | Q | A | -1.6791 | |
| 132 | T | A | -1.1131 | |
| 133 | E | A | -0.9594 | |
| 134 | L | A | -0.1514 | |
| 135 | F | A | 0.0000 | |
| 136 | V | A | 0.4015 | |
| 137 | P | A | 0.0000 | |
| 138 | S | A | 0.1514 | |
| 139 | L | A | 0.3847 | |
| 140 | N | A | -0.1153 | |
| 141 | V | A | 0.4998 | |
| 142 | D | A | -1.5151 | |
| 143 | G | A | -1.3256 | |
| 144 | Q | A | -1.3521 | |
| 145 | P | A | -0.6152 | |
| 146 | I | A | 0.4607 | |
| 147 | F | A | 0.3227 | |
| 148 | A | A | 0.0000 | |
| 149 | N | A | -0.5335 | |
| 150 | I | A | 0.0000 | |
| 151 | T | A | -0.5336 | |
| 152 | L | A | -0.0305 | |
| 153 | P | A | 0.4680 | |
| 154 | V | A | 1.5626 | |
| 155 | Y | A | 0.6887 | |
| 156 | T | A | 0.2219 | |
| 157 | L | A | 0.6319 | |
| 158 | K | A | -1.1393 | |
| 159 | E | A | -1.1273 | |
| 160 | R | A | -0.4805 | |
| 161 | C | A | 0.1845 | |
| 162 | L | A | 0.0000 | |
| 163 | Q | A | 0.0000 | |
| 164 | V | A | 1.4713 | |
| 165 | V | A | 1.1544 | |
| 166 | R | A | 0.2316 | |
| 167 | S | A | 0.7482 | |
| 168 | L | A | 1.5670 | |
| 169 | V | A | -0.1727 | |
| 170 | K | A | -2.0310 | |
| 171 | P | A | -2.4923 | |
| 172 | E | A | -3.3314 | |
| 173 | N | A | -2.9060 | |
| 174 | Y | A | 0.0000 | |
| 175 | R | A | -3.6644 | |
| 176 | R | A | -3.3022 | |
| 177 | L | A | -1.7409 | |
| 178 | D | A | -1.9103 | |
| 179 | I | A | -0.2762 | |
| 180 | V | A | 0.5050 | |
| 181 | R | A | -1.6408 | |
| 182 | S | A | -0.9331 | |
| 183 | L | A | -1.2232 | |
| 184 | Y | A | 0.0000 | |
| 185 | E | A | -2.9957 | |
| 186 | D | A | -2.6186 | |
| 187 | L | A | 0.0000 | |
| 188 | E | A | -2.9460 | |
| 189 | D | A | -3.0442 | |
| 190 | H | A | -2.1605 | |
| 191 | P | A | -1.3623 | |
| 192 | N | A | -1.3341 | |
| 193 | V | A | 0.0000 | |
| 194 | Q | A | -2.6305 | |
| 195 | K | A | -2.8109 | |
| 196 | D | A | -1.7440 | |
| 197 | L | A | 0.0000 | |
| 198 | E | A | -3.4197 | |
| 199 | R | A | -2.5204 | |
| 200 | L | A | -1.6725 | |
| 201 | T | A | -1.6069 | |
| 202 | Q | A | -2.2388 | |
| 203 | E | A | -2.2487 | |
| 204 | R | A | -1.5178 | |
| 205 | I | A | -0.7410 | |
| 206 | A | A | -1.2961 | |
| 207 | H | A | -1.7279 | |
| 208 | Q | A | -1.7024 | |
| 209 | R | A | -1.9636 | |
| 210 | M | A | -0.4980 | |
| 211 | G | A | -1.0419 | |
| 212 | D | A | -1.4749 | |
| 213 | L | A | -0.9959 | |
| 214 | E | A | -2.0193 | |
| 215 | G | A | -1.4863 | |
| 216 | G | A | -1.1240 | |
| 217 | G | A | -0.8699 | |
| 218 | G | A | -0.9106 | |
| 219 | S | A | -0.8120 | |
| 220 | A | A | -0.6653 | |
| 221 | A | A | -0.5682 | |
| 222 | A | A | -0.7159 | |
| 223 | M | A | -0.4576 | |
| 224 | D | A | -1.8373 | |
| 225 | L | A | 0.0000 | |
| 226 | G | A | 0.0000 | |
| 227 | K | A | -2.6293 | |
| 228 | K | A | -2.8140 | |
| 229 | L | A | 0.0000 | |
| 230 | L | A | 0.0000 | |
| 231 | E | A | -3.1596 | |
| 232 | A | A | 0.0000 | |
| 233 | A | A | 0.0000 | |
| 234 | R | A | -1.8223 | |
| 235 | A | A | -1.4136 | |
| 236 | G | A | -1.6364 | |
| 237 | Q | A | -2.5211 | |
| 238 | D | A | -2.1014 | |
| 239 | D | A | -1.8200 | |
| 240 | E | A | -2.1954 | |
| 241 | V | A | 0.0000 | |
| 242 | R | A | -1.2582 | |
| 243 | I | A | -0.6376 | |
| 244 | L | A | 0.0000 | |
| 245 | M | A | 0.0000 | |
| 246 | A | A | 0.0000 | |
| 247 | N | A | -0.3970 | |
| 248 | G | A | -0.3397 | |
| 249 | A | A | 0.0000 | |
| 250 | D | A | -1.7616 | |
| 251 | V | A | -1.0914 | |
| 252 | N | A | -1.2859 | |
| 253 | A | A | -1.1931 | |
| 254 | S | A | -0.7728 | |
| 255 | D | A | -1.1094 | |
| 256 | R | A | -1.1822 | |
| 257 | W | A | 0.5423 | |
| 258 | G | A | 0.1978 | |
| 259 | W | A | 0.1492 | |
| 260 | T | A | 0.0000 | |
| 261 | P | A | 0.0000 | |
| 262 | L | A | 0.0000 | |
| 263 | H | A | 0.0000 | |
| 264 | L | A | 0.0000 | |
| 265 | A | A | 0.0000 | |
| 266 | A | A | 0.0000 | |
| 267 | W | A | 0.6363 | |
| 268 | W | A | 0.8358 | |
| 269 | G | A | -0.0950 | |
| 270 | H | A | -0.8016 | |
| 271 | L | A | -0.9341 | |
| 272 | E | A | -2.4064 | |
| 273 | I | A | 0.0000 | |
| 274 | V | A | 0.0000 | |
| 275 | E | A | 0.0000 | |
| 276 | V | A | -1.0738 | |
| 277 | L | A | 0.0000 | |
| 278 | L | A | 0.0000 | |
| 279 | K | A | -1.4574 | |
| 280 | R | A | -1.6488 | |
| 281 | G | A | 0.0000 | |
| 282 | A | A | 0.0000 | |
| 283 | D | A | -1.4722 | |
| 284 | V | A | 0.0000 | |
| 285 | S | A | -0.9986 | |
| 286 | A | A | -0.4821 | |
| 287 | A | A | -0.1370 | |
| 288 | D | A | 0.0000 | |
| 289 | L | A | 1.0606 | |
| 290 | H | A | -0.4265 | |
| 291 | G | A | -0.7353 | |
| 292 | Q | A | -0.6943 | |
| 293 | S | A | 0.0000 | |
| 294 | P | A | 0.0000 | |
| 295 | L | A | 0.0000 | |
| 296 | H | A | 0.0000 | |
| 297 | L | A | 0.0000 | |
| 298 | A | A | 0.0000 | |
| 299 | A | A | 0.0000 | |
| 300 | M | A | 0.1957 | |
| 301 | V | A | 0.6575 | |
| 302 | G | A | -0.3444 | |
| 303 | H | A | -0.6470 | |
| 304 | L | A | -1.2068 | |
| 305 | E | A | -2.0645 | |
| 306 | I | A | 0.0000 | |
| 307 | V | A | 0.0000 | |
| 308 | E | A | -2.3244 | |
| 309 | V | A | 0.0000 | |
| 310 | L | A | 0.0000 | |
| 311 | L | A | -1.9228 | |
| 312 | K | A | -2.3809 | |
| 313 | Y | A | 0.0000 | |
| 314 | G | A | -1.8071 | |
| 315 | A | A | 0.0000 | |
| 316 | D | A | -2.3099 | |
| 317 | V | A | -1.6116 | |
| 318 | N | A | -1.8001 | |
| 319 | A | A | -1.8121 | |
| 320 | K | A | -2.6282 | |
| 321 | D | A | -1.5811 | |
| 322 | T | A | -1.1631 | |
| 323 | G | A | -1.5100 | |
| 324 | A | A | 0.0000 | |
| 325 | T | A | 0.0000 | |
| 326 | P | A | 0.0000 | |
| 327 | L | A | 0.0000 | |
| 328 | H | A | 0.0000 | |
| 329 | L | A | -0.1817 | |
| 330 | A | A | 0.0000 | |
| 331 | A | A | 0.0000 | |
| 332 | R | A | -1.6481 | |
| 333 | S | A | -0.8032 | |
| 334 | G | A | -1.2698 | |
| 335 | H | A | -0.9663 | |
| 336 | L | A | -1.3530 | |
| 337 | E | A | -2.1864 | |
| 338 | I | A | 0.0000 | |
| 339 | V | A | 0.0000 | |
| 340 | E | A | -2.3354 | |
| 341 | E | A | -2.3817 | |
| 342 | L | A | 0.0000 | |
| 343 | L | A | -1.7904 | |
| 344 | K | A | -2.5229 | |
| 345 | N | A | -2.6828 | |
| 346 | G | A | -1.8537 | |
| 347 | A | A | -1.9048 | |
| 348 | D | A | -2.0379 | |
| 349 | M | A | -1.5765 | |
| 350 | N | A | -1.9978 | |
| 351 | A | A | -1.9078 | |
| 352 | Q | A | -2.2196 | |
| 353 | D | A | 0.0000 | |
| 354 | K | A | -1.5010 | |
| 355 | F | A | 0.5271 | |
| 356 | G | A | -0.7194 | |
| 357 | K | A | -1.3817 | |
| 358 | T | A | -1.3533 | |
| 359 | T | A | 0.0000 | |
| 360 | F | A | -1.4862 | |
| 361 | D | A | -1.8261 | |
| 362 | I | A | 0.0000 | |
| 363 | S | A | 0.0000 | |
| 364 | T | A | -2.6073 | |
| 365 | D | A | -3.1286 | |
| 366 | N | A | -3.0287 | |
| 367 | G | A | -2.6619 | |
| 368 | N | A | -2.9789 | |
| 369 | E | A | -3.6770 | |
| 370 | D | A | -3.2692 | |
| 371 | L | A | 0.0000 | |
| 372 | A | A | 0.0000 | |
| 373 | E | A | -3.2138 | |
| 374 | I | A | -1.6745 | |
| 375 | L | A | 0.0000 | |
| 376 | Q | A | -2.3173 | |
| 377 | K | A | -2.3707 |
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