| Chain sequence(s) |
A: MKAISQYACQRRTTLNNHNQRFTDAFEILAKNYEFRENPVLCLTFLRATSVLKCLPFAIVSMKDTEGLPWIGDEVKGIMEAIIEEGESLEVQAVLNDERYQSFKLFTSVFGVGIKTSEKWYRMGFRTLREIRSDKSLRFTKMQEAGFRYYDDIIACVSKAEADAVSLLVKEAVWTFLPDALVTTTGGFRRRKEFGHDVDFLITSPGAEKEQEDQLLQRVTNLWEKQGLLLYCDLIESTFEDLKLPSRKVDALDHFQKCFLILKLYHRRGDMSKWEMPAGSNVLEAKNWKAIRVDLVVCPYDRYAYALLGWSGSRQFERDLRRYATHEKFMMLDNHALYDKTKRIFLEAKSEEEIFEHLGLEYIEPWERNA
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | No |
| alphaCutter usage | No |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:02)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:02)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:02)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:02)
[INFO] FoldX: Starting FoldX energy minimization (00:00:02)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:18:53)
[INFO] Main: Simulation completed successfully. (00:18:57)
|
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan4D score | mutation |
|---|---|---|---|---|
| 1 | M | A | 0.2922 | |
| 2 | K | A | -1.0896 | |
| 3 | A | A | -0.4925 | |
| 4 | I | A | -0.2592 | |
| 5 | S | A | -0.5304 | |
| 6 | Q | A | -0.5922 | |
| 7 | Y | A | -0.5457 | |
| 8 | A | A | 0.0000 | |
| 9 | C | A | 0.0000 | |
| 10 | Q | A | -1.3395 | |
| 11 | R | A | 0.0000 | |
| 12 | R | A | -1.3403 | |
| 13 | T | A | 0.0000 | |
| 14 | T | A | -0.8880 | |
| 15 | L | A | -0.7397 | |
| 16 | N | A | -1.3716 | |
| 17 | N | A | -1.5232 | |
| 18 | H | A | -1.3276 | |
| 19 | N | A | 0.0000 | |
| 20 | Q | A | -2.8069 | |
| 21 | R | A | -2.9278 | |
| 22 | F | A | 0.0000 | |
| 23 | T | A | 0.0000 | |
| 24 | D | A | -2.7176 | |
| 25 | A | A | 0.0000 | |
| 26 | F | A | 0.0000 | |
| 27 | E | A | -2.0472 | |
| 28 | I | A | -1.1803 | |
| 29 | L | A | 0.0000 | |
| 30 | A | A | 0.0000 | |
| 31 | K | A | -2.2898 | |
| 32 | N | A | 0.0000 | |
| 33 | Y | A | -2.0039 | |
| 34 | E | A | -3.0035 | |
| 35 | F | A | 0.0000 | |
| 36 | R | A | -3.3005 | |
| 37 | E | A | -3.2579 | |
| 38 | N | A | -1.8370 | |
| 39 | P | A | -0.5946 | |
| 40 | V | A | 1.3727 | |
| 41 | L | A | 0.2038 | |
| 42 | C | A | 0.0000 | |
| 43 | L | A | 0.7044 | |
| 44 | T | A | 0.6388 | |
| 45 | F | A | 0.0000 | |
| 46 | L | A | 0.2200 | |
| 47 | R | A | 0.0000 | |
| 48 | A | A | 0.0000 | |
| 49 | T | A | 0.0000 | |
| 50 | S | A | 0.0000 | |
| 51 | V | A | 0.0000 | |
| 52 | L | A | 0.0000 | |
| 53 | K | A | -0.9250 | |
| 54 | C | A | -0.5287 | |
| 55 | L | A | 0.0000 | |
| 56 | P | A | -0.3953 | |
| 57 | F | A | 0.4177 | |
| 58 | A | A | 0.1117 | |
| 59 | I | A | 0.0000 | |
| 60 | V | A | 1.3978 | |
| 61 | S | A | -0.2091 | |
| 62 | M | A | -1.2370 | |
| 63 | K | A | -2.2913 | |
| 64 | D | A | -1.5468 | |
| 65 | T | A | 0.0000 | |
| 66 | E | A | -2.6579 | |
| 67 | G | A | -1.4106 | |
| 68 | L | A | -0.5984 | |
| 69 | P | A | -0.1684 | |
| 70 | W | A | 0.2204 | |
| 71 | I | A | -0.8176 | |
| 72 | G | A | -1.5940 | |
| 73 | D | A | -2.9949 | |
| 74 | E | A | -2.9832 | |
| 75 | V | A | 0.0000 | |
| 76 | K | A | -2.3137 | |
| 77 | G | A | -2.2088 | |
| 78 | I | A | 0.0000 | |
| 79 | M | A | 0.0000 | |
| 80 | E | A | -2.4902 | |
| 81 | A | A | -2.2895 | |
| 82 | I | A | 0.0000 | |
| 83 | I | A | -1.6953 | |
| 84 | E | A | -3.1024 | |
| 85 | E | A | -3.3703 | |
| 86 | G | A | -2.9103 | |
| 87 | E | A | -2.9464 | |
| 88 | S | A | 0.0000 | |
| 89 | L | A | 0.3027 | |
| 90 | E | A | -0.8087 | |
| 91 | V | A | 0.0000 | |
| 92 | Q | A | -0.7045 | |
| 93 | A | A | -0.7223 | |
| 94 | V | A | 0.0000 | |
| 95 | L | A | -0.8698 | |
| 96 | N | A | -2.1494 | |
| 97 | D | A | -2.1247 | |
| 98 | E | A | -2.8581 | |
| 99 | R | A | -2.2621 | |
| 100 | Y | A | 0.0000 | |
| 101 | Q | A | -2.1374 | |
| 102 | S | A | 0.0000 | |
| 103 | F | A | 0.0000 | |
| 104 | K | A | -1.3374 | |
| 105 | L | A | -0.2942 | |
| 106 | F | A | 0.0000 | |
| 107 | T | A | -0.4304 | |
| 108 | S | A | 0.1017 | |
| 109 | V | A | 0.0000 | |
| 110 | F | A | 0.0000 | |
| 111 | G | A | -0.6561 | |
| 112 | V | A | 0.0000 | |
| 113 | G | A | -0.7647 | |
| 114 | I | A | -1.7612 | |
| 115 | K | A | -2.1278 | |
| 116 | T | A | -1.6615 | |
| 117 | S | A | 0.0000 | |
| 118 | E | A | -2.1408 | |
| 119 | K | A | -2.5285 | |
| 120 | W | A | 0.0000 | |
| 121 | Y | A | -1.7173 | |
| 122 | R | A | -2.2416 | |
| 123 | M | A | -0.8499 | |
| 124 | G | A | -1.0231 | |
| 125 | F | A | -1.0846 | |
| 126 | R | A | -1.4223 | |
| 127 | T | A | -1.2582 | |
| 128 | L | A | -1.4114 | |
| 129 | R | A | -2.8366 | |
| 130 | E | A | -2.5381 | |
| 131 | I | A | 0.0000 | |
| 132 | R | A | -3.2185 | |
| 133 | S | A | -2.3131 | |
| 134 | D | A | -2.6050 | |
| 135 | K | A | -2.7009 | |
| 136 | S | A | -1.5363 | |
| 137 | L | A | -1.7008 | |
| 138 | R | A | -2.5477 | |
| 139 | F | A | -1.5635 | |
| 140 | T | A | -1.4966 | |
| 141 | K | A | -2.4220 | |
| 142 | M | A | -1.3981 | |
| 143 | Q | A | 0.0000 | |
| 144 | E | A | -3.0160 | |
| 145 | A | A | 0.0000 | |
| 146 | G | A | 0.0000 | |
| 147 | F | A | 0.0000 | |
| 148 | R | A | -2.4716 | |
| 149 | Y | A | 0.0000 | |
| 150 | Y | A | -1.0897 | |
| 151 | D | A | -1.6392 | |
| 152 | D | A | -0.8478 | |
| 153 | I | A | -0.3075 | |
| 154 | I | A | 0.6498 | |
| 155 | A | A | 0.3598 | |
| 156 | C | A | 0.4431 | |
| 157 | V | A | 0.0000 | |
| 158 | S | A | -0.8972 | |
| 159 | K | A | -1.9323 | |
| 160 | A | A | -1.0231 | |
| 161 | E | A | -0.6671 | |
| 162 | A | A | 0.0000 | |
| 163 | D | A | -1.0744 | |
| 164 | A | A | -0.3029 | |
| 165 | V | A | 0.0000 | |
| 166 | S | A | 0.0000 | |
| 167 | L | A | 0.6682 | |
| 168 | L | A | 0.1641 | |
| 169 | V | A | 0.0000 | |
| 170 | K | A | -0.4341 | |
| 171 | E | A | -1.3381 | |
| 172 | A | A | 0.0000 | |
| 173 | V | A | 0.0000 | |
| 174 | W | A | -0.4260 | |
| 175 | T | A | -0.4980 | |
| 176 | F | A | -0.4947 | |
| 177 | L | A | 0.0000 | |
| 178 | P | A | -0.8081 | |
| 179 | D | A | -1.2615 | |
| 180 | A | A | 0.0000 | |
| 181 | L | A | 0.3796 | |
| 182 | V | A | 0.0000 | |
| 183 | T | A | 0.0105 | |
| 184 | T | A | -0.3563 | |
| 185 | T | A | 0.0000 | |
| 186 | G | A | -0.9564 | |
| 187 | G | A | -1.4304 | |
| 188 | F | A | 0.0000 | |
| 189 | R | A | -1.3041 | |
| 190 | R | A | -1.7109 | |
| 191 | R | A | -2.7806 | |
| 192 | K | A | -2.5005 | |
| 193 | E | A | -2.3550 | |
| 194 | F | A | -0.5841 | |
| 195 | G | A | -0.7915 | |
| 196 | H | A | -0.7146 | |
| 197 | D | A | -0.8452 | |
| 198 | V | A | 0.0000 | |
| 199 | D | A | -0.4990 | |
| 200 | F | A | 0.0000 | |
| 201 | L | A | 0.0000 | |
| 202 | I | A | 0.0000 | |
| 203 | T | A | 0.0000 | |
| 204 | S | A | 0.0000 | |
| 205 | P | A | -0.8599 | |
| 206 | G | A | -1.4900 | |
| 207 | A | A | -2.5079 | |
| 208 | E | A | -3.9412 | |
| 209 | K | A | -4.5178 | |
| 210 | E | A | -4.6495 | |
| 211 | Q | A | -4.1352 | |
| 212 | E | A | -3.6198 | |
| 213 | D | A | -4.7393 | |
| 214 | Q | A | -3.8751 | |
| 215 | L | A | 0.0000 | |
| 216 | L | A | 0.0000 | |
| 217 | Q | A | -2.6246 | |
| 218 | R | A | -2.9218 | |
| 219 | V | A | 0.0000 | |
| 220 | T | A | 0.0000 | |
| 221 | N | A | -2.4990 | |
| 222 | L | A | -1.9047 | |
| 223 | W | A | 0.0000 | |
| 224 | E | A | -3.1305 | |
| 225 | K | A | -3.1500 | |
| 226 | Q | A | -2.5137 | |
| 227 | G | A | -1.8491 | |
| 228 | L | A | -0.8591 | |
| 229 | L | A | -0.7649 | |
| 230 | L | A | -0.1887 | |
| 231 | Y | A | 0.0000 | |
| 232 | C | A | -0.2556 | |
| 233 | D | A | -0.5943 | |
| 234 | L | A | -0.1894 | |
| 235 | I | A | -0.1743 | |
| 236 | E | A | -1.8189 | |
| 237 | S | A | -1.3238 | |
| 238 | T | A | -0.8435 | |
| 239 | F | A | -1.4482 | |
| 240 | E | A | -2.5762 | |
| 241 | D | A | -2.2659 | |
| 242 | L | A | -0.3883 | |
| 243 | K | A | -1.6689 | |
| 244 | L | A | -0.3814 | |
| 245 | P | A | 0.0000 | |
| 246 | S | A | -1.4489 | |
| 247 | R | A | -2.7654 | |
| 248 | K | A | -2.7855 | |
| 249 | V | A | -1.8432 | |
| 250 | D | A | -2.0029 | |
| 251 | A | A | -0.8398 | |
| 252 | L | A | 0.9326 | |
| 253 | D | A | 0.0000 | |
| 254 | H | A | -0.2884 | |
| 255 | F | A | 0.0000 | |
| 256 | Q | A | 0.0000 | |
| 257 | K | A | 0.0000 | |
| 258 | C | A | 0.0000 | |
| 259 | F | A | 0.2625 | |
| 260 | L | A | 0.0000 | |
| 261 | I | A | 0.0000 | |
| 262 | L | A | 0.0000 | |
| 263 | K | A | 0.0746 | |
| 264 | L | A | 0.2263 | |
| 265 | Y | A | -0.1711 | |
| 266 | H | A | -2.0662 | |
| 267 | R | A | -3.2804 | |
| 268 | R | A | -3.4031 | |
| 269 | G | A | -2.9003 | |
| 270 | D | A | -3.1966 | |
| 271 | M | A | -1.7823 | |
| 272 | S | A | -1.5889 | |
| 273 | K | A | -1.9368 | |
| 274 | W | A | -0.5590 | |
| 275 | E | A | -1.4544 | |
| 276 | M | A | -0.4249 | |
| 277 | P | A | -0.4445 | |
| 278 | A | A | -0.6041 | |
| 279 | G | A | -0.6149 | |
| 280 | S | A | -0.3014 | |
| 281 | N | A | -0.4166 | |
| 282 | V | A | 1.2670 | |
| 283 | L | A | 0.9095 | |
| 284 | E | A | -1.2528 | |
| 285 | A | A | -0.9716 | |
| 286 | K | A | -2.1719 | |
| 287 | N | A | -2.1313 | |
| 288 | W | A | -0.6415 | |
| 289 | K | A | -0.6800 | |
| 290 | A | A | 0.0000 | |
| 291 | I | A | 0.0000 | |
| 292 | R | A | -0.8773 | |
| 293 | V | A | 0.0000 | |
| 294 | D | A | 0.0000 | |
| 295 | L | A | 0.0000 | |
| 296 | V | A | 0.0000 | |
| 297 | V | A | 0.0000 | |
| 298 | C | A | 0.0000 | |
| 299 | P | A | -0.9221 | |
| 300 | Y | A | -0.3674 | |
| 301 | D | A | -2.1836 | |
| 302 | R | A | -1.5279 | |
| 303 | Y | A | -0.5123 | |
| 304 | A | A | 0.0000 | |
| 305 | Y | A | 0.0000 | |
| 306 | A | A | 0.0000 | |
| 307 | L | A | 0.0000 | |
| 308 | L | A | 0.0000 | |
| 309 | G | A | -0.2616 | |
| 310 | W | A | -0.1904 | |
| 311 | S | A | 0.0000 | |
| 312 | G | A | -0.7722 | |
| 313 | S | A | -1.0034 | |
| 314 | R | A | -2.0890 | |
| 315 | Q | A | 0.0000 | |
| 316 | F | A | 0.0000 | |
| 317 | E | A | 0.0000 | |
| 318 | R | A | -1.3050 | |
| 319 | D | A | 0.0000 | |
| 320 | L | A | 0.0000 | |
| 321 | R | A | 0.0000 | |
| 322 | R | A | -1.4463 | |
| 323 | Y | A | -1.1504 | |
| 324 | A | A | 0.0000 | |
| 325 | T | A | -0.9745 | |
| 326 | H | A | -1.6072 | |
| 327 | E | A | -2.1464 | |
| 328 | K | A | -1.0503 | |
| 329 | F | A | 0.5725 | |
| 330 | M | A | 0.0000 | |
| 331 | M | A | -0.3511 | |
| 332 | L | A | 0.0000 | |
| 333 | D | A | 0.0000 | |
| 334 | N | A | 0.0000 | |
| 335 | H | A | 0.0000 | |
| 336 | A | A | 0.0000 | |
| 337 | L | A | 0.0000 | |
| 338 | Y | A | 0.0000 | |
| 339 | D | A | 0.0000 | |
| 340 | K | A | -1.2758 | |
| 341 | T | A | -1.3612 | |
| 342 | K | A | -2.4037 | |
| 343 | R | A | -2.2777 | |
| 344 | I | A | -0.1813 | |
| 345 | F | A | 0.3704 | |
| 346 | L | A | -0.6070 | |
| 347 | E | A | -2.2788 | |
| 348 | A | A | 0.0000 | |
| 349 | K | A | -2.7090 | |
| 350 | S | A | -1.8614 | |
| 351 | E | A | 0.0000 | |
| 352 | E | A | -2.5613 | |
| 353 | E | A | -2.5511 | |
| 354 | I | A | 0.0000 | |
| 355 | F | A | 0.0000 | |
| 356 | E | A | -2.9654 | |
| 357 | H | A | -1.8731 | |
| 358 | L | A | 0.0000 | |
| 359 | G | A | -1.9311 | |
| 360 | L | A | 0.0000 | |
| 361 | E | A | -2.5458 | |
| 362 | Y | A | -1.8051 | |
| 363 | I | A | 0.0000 | |
| 364 | E | A | -1.0701 | |
| 365 | P | A | 0.0000 | |
| 366 | W | A | -0.8708 | |
| 367 | E | A | -0.8690 | |
| 368 | R | A | 0.0000 | |
| 369 | N | A | 0.0000 | |
| 370 | A | 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