| Chain sequence(s) |
A: GIINTLQKYYCRVRGGRCAVLSCLPKEEQIGKCSTRGRKCCRRKKEAAAKTAGPWHLGKLEDFDFEAAAKALDFKPGTSGSPIAAYASAAQRRGRIGRNAAYAIDGEYRLRGEARKTFVELMRRGDLPVGPGPGHTMWHVTRGAAAYAARGYISTRAAYKTVWFVPSIAAYDEAHFTDPASIAARGEAAAKCVYNMMGKREKKLGEFGKAKGSRAIWYMWAAYADDTAGWDTRITEDAAYRDQRGSGQVGTYGLNTFTNMEAAAYVSQGAGWSLRAAYWVPTSRTTWSIHAHHQWMTTEDGPGPGTDTTPFGQQRAAYMTDTTPFGQEAAAKAKFVAAWTLKAAA
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] (00:00:05)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:05)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:05)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:05)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:05)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:09:57)
[INFO] Main: Simulation completed successfully. (00:10:00)
|
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 | G | A | 0.8285 | |
| 2 | I | A | 2.1990 | |
| 3 | I | A | 1.8195 | |
| 4 | N | A | 0.1524 | |
| 5 | T | A | 1.0117 | |
| 6 | L | A | 1.3575 | |
| 7 | Q | A | 0.0429 | |
| 8 | K | A | -0.8706 | |
| 9 | Y | A | 0.8137 | |
| 10 | Y | A | 0.3575 | |
| 11 | C | A | 0.0000 | |
| 12 | R | A | -1.4820 | |
| 13 | V | A | 0.3190 | |
| 14 | R | A | -1.4242 | |
| 15 | G | A | -1.4900 | |
| 16 | G | A | 0.0000 | |
| 17 | R | A | -1.6779 | |
| 18 | C | A | -0.9306 | |
| 19 | A | A | 0.0000 | |
| 20 | V | A | 1.5058 | |
| 21 | L | A | 1.9791 | |
| 22 | S | A | 0.5742 | |
| 23 | C | A | -0.5722 | |
| 24 | L | A | -0.4769 | |
| 25 | P | A | -1.3956 | |
| 26 | K | A | -3.1080 | |
| 27 | E | A | 0.0000 | |
| 28 | E | A | -3.5325 | |
| 29 | Q | A | -2.4716 | |
| 30 | I | A | -1.5932 | |
| 31 | G | A | -1.6941 | |
| 32 | K | A | -2.4848 | |
| 33 | C | A | 0.0000 | |
| 34 | S | A | 0.0000 | |
| 35 | T | A | -1.6093 | |
| 36 | R | A | -2.4490 | |
| 37 | G | A | -1.8011 | |
| 38 | R | A | -1.7998 | |
| 39 | K | A | -1.9375 | |
| 40 | C | A | 0.0000 | |
| 41 | C | A | 0.0000 | |
| 42 | R | A | -3.6737 | |
| 43 | R | A | -3.9532 | |
| 44 | K | A | -4.2574 | |
| 45 | K | A | -3.9883 | |
| 46 | E | A | -3.1907 | |
| 47 | A | A | -1.7773 | |
| 48 | A | A | -1.1726 | |
| 49 | A | A | -1.3772 | |
| 50 | K | A | -1.6534 | |
| 51 | T | A | -0.7185 | |
| 52 | A | A | -0.1929 | |
| 53 | G | A | 0.0000 | |
| 54 | P | A | 0.4572 | |
| 55 | W | A | 0.6362 | |
| 56 | H | A | 0.5547 | |
| 57 | L | A | 0.5306 | |
| 58 | G | A | 0.4869 | |
| 59 | K | A | -0.0407 | |
| 60 | L | A | -0.2868 | |
| 61 | E | A | -1.7258 | |
| 62 | D | A | -1.1875 | |
| 63 | F | A | -0.0716 | |
| 64 | D | A | 0.0000 | |
| 65 | F | A | 0.7912 | |
| 66 | E | A | -1.4520 | |
| 67 | A | A | 0.0000 | |
| 68 | A | A | -0.5778 | |
| 69 | A | A | -1.3288 | |
| 70 | K | A | -2.4207 | |
| 71 | A | A | 0.0000 | |
| 72 | L | A | -1.6577 | |
| 73 | D | A | -2.5682 | |
| 74 | F | A | -1.9589 | |
| 75 | K | A | -2.1906 | |
| 76 | P | A | -1.8885 | |
| 77 | G | A | -1.5688 | |
| 78 | T | A | -1.2337 | |
| 79 | S | A | -1.0314 | |
| 80 | G | A | 0.0000 | |
| 81 | S | A | 0.0000 | |
| 82 | P | A | 0.0000 | |
| 83 | I | A | 0.5091 | |
| 84 | A | A | 0.3343 | |
| 85 | A | A | 0.6407 | |
| 86 | Y | A | 1.3553 | |
| 87 | A | A | 0.5058 | |
| 88 | S | A | -0.2489 | |
| 89 | A | A | -0.8879 | |
| 90 | A | A | -0.9832 | |
| 91 | Q | A | -1.4588 | |
| 92 | R | A | -1.4679 | |
| 93 | R | A | -3.2253 | |
| 94 | G | A | -2.1950 | |
| 95 | R | A | -1.6166 | |
| 96 | I | A | -1.0035 | |
| 97 | G | A | -1.7248 | |
| 98 | R | A | -1.6772 | |
| 99 | N | A | -0.5341 | |
| 100 | A | A | 0.0000 | |
| 101 | A | A | -0.6158 | |
| 102 | Y | A | -0.1470 | |
| 103 | A | A | 0.0000 | |
| 104 | I | A | 0.0000 | |
| 105 | D | A | -2.3303 | |
| 106 | G | A | -1.8995 | |
| 107 | E | A | -2.4403 | |
| 108 | Y | A | -1.8589 | |
| 109 | R | A | -3.1086 | |
| 110 | L | A | -2.7400 | |
| 111 | R | A | -3.3072 | |
| 112 | G | A | -3.0119 | |
| 113 | E | A | -3.1994 | |
| 114 | A | A | -2.4485 | |
| 115 | R | A | -3.1513 | |
| 116 | K | A | -2.9553 | |
| 117 | T | A | -1.6686 | |
| 118 | F | A | -0.8791 | |
| 119 | V | A | -1.2699 | |
| 120 | E | A | -2.2082 | |
| 121 | L | A | -1.8336 | |
| 122 | M | A | -2.3429 | |
| 123 | R | A | -3.5191 | |
| 124 | R | A | -3.7002 | |
| 125 | G | A | -2.9703 | |
| 126 | D | A | -2.6402 | |
| 127 | L | A | -0.8254 | |
| 128 | P | A | 0.0581 | |
| 129 | V | A | 0.9914 | |
| 130 | G | A | 0.0000 | |
| 131 | P | A | 0.4631 | |
| 132 | G | A | 0.0000 | |
| 133 | P | A | -0.3195 | |
| 134 | G | A | -0.6082 | |
| 135 | H | A | 0.0000 | |
| 136 | T | A | 0.0000 | |
| 137 | M | A | -0.1224 | |
| 138 | W | A | 0.0000 | |
| 139 | H | A | 0.0000 | |
| 140 | V | A | 0.0000 | |
| 141 | T | A | 0.0000 | |
| 142 | R | A | -0.3584 | |
| 143 | G | A | 0.0000 | |
| 144 | A | A | 0.1402 | |
| 145 | A | A | 0.0000 | |
| 146 | A | A | 0.0000 | |
| 147 | Y | A | 0.3576 | |
| 148 | A | A | 0.0000 | |
| 149 | A | A | 0.0000 | |
| 150 | R | A | -0.0069 | |
| 151 | G | A | 0.0000 | |
| 152 | Y | A | 1.7400 | |
| 153 | I | A | 1.7315 | |
| 154 | S | A | 0.0000 | |
| 155 | T | A | -0.4155 | |
| 156 | R | A | -1.4813 | |
| 157 | A | A | -0.7659 | |
| 158 | A | A | -0.2628 | |
| 159 | Y | A | 0.0898 | |
| 160 | K | A | -1.5071 | |
| 161 | T | A | -0.4309 | |
| 162 | V | A | 0.4079 | |
| 163 | W | A | 1.5947 | |
| 164 | F | A | 0.0000 | |
| 165 | V | A | 2.0290 | |
| 166 | P | A | 1.2864 | |
| 167 | S | A | 0.8498 | |
| 168 | I | A | 1.0882 | |
| 169 | A | A | 0.0000 | |
| 170 | A | A | 0.2280 | |
| 171 | Y | A | 0.0000 | |
| 172 | D | A | -0.7471 | |
| 173 | E | A | -1.1209 | |
| 174 | A | A | 0.0000 | |
| 175 | H | A | 0.0000 | |
| 176 | F | A | 0.0000 | |
| 177 | T | A | -0.5489 | |
| 178 | D | A | -0.7245 | |
| 179 | P | A | 0.0000 | |
| 180 | A | A | 0.0000 | |
| 181 | S | A | 0.0000 | |
| 182 | I | A | 0.0000 | |
| 183 | A | A | 0.0000 | |
| 184 | A | A | 0.0000 | |
| 185 | R | A | 0.0000 | |
| 186 | G | A | 0.0000 | |
| 187 | E | A | 0.0000 | |
| 188 | A | A | 0.0000 | |
| 189 | A | A | 0.1300 | |
| 190 | A | A | 0.0000 | |
| 191 | K | A | 0.1321 | |
| 192 | C | A | 0.3731 | |
| 193 | V | A | 1.0758 | |
| 194 | Y | A | 0.5503 | |
| 195 | N | A | -0.3351 | |
| 196 | M | A | 0.8584 | |
| 197 | M | A | 0.4701 | |
| 198 | G | A | -1.0438 | |
| 199 | K | A | -3.1439 | |
| 200 | R | A | -4.2604 | |
| 201 | E | A | -4.4439 | |
| 202 | K | A | -3.9861 | |
| 203 | K | A | -3.2174 | |
| 204 | L | A | -1.4006 | |
| 205 | G | A | -1.0442 | |
| 206 | E | A | -1.6808 | |
| 207 | F | A | 0.0989 | |
| 208 | G | A | -1.0481 | |
| 209 | K | A | -2.0666 | |
| 210 | A | A | -1.6491 | |
| 211 | K | A | -2.3097 | |
| 212 | G | A | -1.8586 | |
| 213 | S | A | -1.9975 | |
| 214 | R | A | -1.8330 | |
| 215 | A | A | 0.2340 | |
| 216 | I | A | 2.1431 | |
| 217 | W | A | 2.2605 | |
| 218 | Y | A | 1.8408 | |
| 219 | M | A | 1.6474 | |
| 220 | W | A | 0.9372 | |
| 221 | A | A | 0.7461 | |
| 222 | A | A | 0.0000 | |
| 223 | Y | A | 0.3750 | |
| 224 | A | A | 0.0000 | |
| 225 | D | A | 0.0000 | |
| 226 | D | A | 0.0000 | |
| 227 | T | A | 0.0000 | |
| 228 | A | A | 0.2050 | |
| 229 | G | A | 0.0000 | |
| 230 | W | A | 0.4929 | |
| 231 | D | A | -1.6509 | |
| 232 | T | A | -1.5619 | |
| 233 | R | A | -2.0165 | |
| 234 | I | A | -1.2167 | |
| 235 | T | A | -1.4374 | |
| 236 | E | A | -1.7306 | |
| 237 | D | A | -2.2944 | |
| 238 | A | A | -1.4879 | |
| 239 | A | A | 0.0000 | |
| 240 | Y | A | -0.7215 | |
| 241 | R | A | -1.5843 | |
| 242 | D | A | 0.0000 | |
| 243 | Q | A | -0.8243 | |
| 244 | R | A | -1.3410 | |
| 245 | G | A | -1.0014 | |
| 246 | S | A | -1.0209 | |
| 247 | G | A | -1.2651 | |
| 248 | Q | A | -1.2406 | |
| 249 | V | A | -0.1706 | |
| 250 | G | A | -0.0683 | |
| 251 | T | A | 0.3546 | |
| 252 | Y | A | 1.4447 | |
| 253 | G | A | 0.5505 | |
| 254 | L | A | 1.0076 | |
| 255 | N | A | 0.9145 | |
| 256 | T | A | 0.5553 | |
| 257 | F | A | 1.7453 | |
| 258 | T | A | 0.0000 | |
| 259 | N | A | 0.0000 | |
| 260 | M | A | 0.2382 | |
| 261 | E | A | -0.9581 | |
| 262 | A | A | 0.0000 | |
| 263 | A | A | -0.3047 | |
| 264 | A | A | -0.6377 | |
| 265 | Y | A | -0.2175 | |
| 266 | V | A | 0.0000 | |
| 267 | S | A | -0.6251 | |
| 268 | Q | A | -1.0864 | |
| 269 | G | A | -0.5791 | |
| 270 | A | A | -0.3007 | |
| 271 | G | A | -0.1641 | |
| 272 | W | A | 0.5358 | |
| 273 | S | A | 0.0000 | |
| 274 | L | A | 0.4782 | |
| 275 | R | A | 0.3873 | |
| 276 | A | A | 0.3597 | |
| 277 | A | A | 0.0000 | |
| 278 | Y | A | 1.2809 | |
| 279 | W | A | 0.9158 | |
| 280 | V | A | 1.4343 | |
| 281 | P | A | 0.0000 | |
| 282 | T | A | -0.0834 | |
| 283 | S | A | -0.7300 | |
| 284 | R | A | -1.2306 | |
| 285 | T | A | -0.2688 | |
| 286 | T | A | 0.2779 | |
| 287 | W | A | 1.0327 | |
| 288 | S | A | 0.8006 | |
| 289 | I | A | 1.5722 | |
| 290 | H | A | -0.1582 | |
| 291 | A | A | -0.3115 | |
| 292 | H | A | -1.1097 | |
| 293 | H | A | -1.0530 | |
| 294 | Q | A | -1.2726 | |
| 295 | W | A | -0.9087 | |
| 296 | M | A | -0.4063 | |
| 297 | T | A | -0.6411 | |
| 298 | T | A | -0.6491 | |
| 299 | E | A | -2.7468 | |
| 300 | D | A | -2.8220 | |
| 301 | G | A | -1.6028 | |
| 302 | P | A | -1.2960 | |
| 303 | G | A | -1.0815 | |
| 304 | P | A | -0.5288 | |
| 305 | G | A | -1.2609 | |
| 306 | T | A | -1.1265 | |
| 307 | D | A | -1.4769 | |
| 308 | T | A | -0.8272 | |
| 309 | T | A | -0.5790 | |
| 310 | P | A | -0.5155 | |
| 311 | F | A | 0.2167 | |
| 312 | G | A | 0.0000 | |
| 313 | Q | A | -1.3633 | |
| 314 | Q | A | -0.4820 | |
| 315 | R | A | -0.2028 | |
| 316 | A | A | -0.4024 | |
| 317 | A | A | 0.0587 | |
| 318 | Y | A | 0.7114 | |
| 319 | M | A | 0.1465 | |
| 320 | T | A | -0.1030 | |
| 321 | D | A | -1.5021 | |
| 322 | T | A | -0.7064 | |
| 323 | T | A | -0.9735 | |
| 324 | P | A | -0.8478 | |
| 325 | F | A | -0.0925 | |
| 326 | G | A | -1.3690 | |
| 327 | Q | A | -2.1487 | |
| 328 | E | A | -2.4739 | |
| 329 | A | A | -1.6135 | |
| 330 | A | A | -1.4158 | |
| 331 | A | A | -1.4633 | |
| 332 | K | A | -1.6795 | |
| 333 | A | A | -1.0339 | |
| 334 | K | A | -1.3211 | |
| 335 | F | A | 1.1326 | |
| 336 | V | A | 1.3447 | |
| 337 | A | A | 0.7496 | |
| 338 | A | A | 0.9287 | |
| 339 | W | A | 1.6189 | |
| 340 | T | A | 1.0128 | |
| 341 | L | A | 1.4394 | |
| 342 | K | A | -0.3559 | |
| 343 | A | A | -0.2924 | |
| 344 | A | A | 0.2750 | |
| 345 | A | A | 0.0469 |
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