| Chain sequence(s) |
A: MMFHYFNILLCSLPLNILLTPSYEINMKSHNRSTLHTLNAKPIKIHRSLCECDLYTSTYDNDPEMKEVMQQFDDRAAQRFKEYEEMLQYKRKQCKKQCDKDIQKIILKDKIEKELTENFSALQTDISTNDIPTCICEKSVADKVEKTCLKCGGILGGGIAPGWSLVSGLGYMAWTRYIAAKVLEEGIKKGLEVGLVKVTEIATQMIGDVNKVPSIDILQKITIGNFSDGVSLYDIFKTIDSTMSTELETQGYYDFSLSVQSIADDPAKLKWCSQKVADVTNAVADGEASVLTEAAPVTSGLNTAIIASIVAIVVIILVMSIIYLILRYRRKKKIHKKLQYIKLLQQ
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 (00:12:42)
[INFO] Main: Simulation completed successfully. (00:12:46)
|
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 | 1.8690 | |
| 2 | M | A | 2.3026 | |
| 3 | F | A | 2.7484 | |
| 4 | H | A | 1.3899 | |
| 5 | Y | A | 2.4710 | |
| 6 | F | A | 3.0607 | |
| 7 | N | A | 1.5330 | |
| 8 | I | A | 3.0664 | |
| 9 | L | A | 3.7396 | |
| 10 | L | A | 3.3350 | |
| 11 | C | A | 2.3348 | |
| 12 | S | A | 1.8860 | |
| 13 | L | A | 2.4161 | |
| 14 | P | A | 1.7561 | |
| 15 | L | A | 2.3767 | |
| 16 | N | A | 1.4122 | |
| 17 | I | A | 3.1489 | |
| 18 | L | A | 3.1996 | |
| 19 | L | A | 2.6983 | |
| 20 | T | A | 1.3448 | |
| 21 | P | A | 0.3670 | |
| 22 | S | A | 0.1378 | |
| 23 | Y | A | 0.6708 | |
| 24 | E | A | -0.7319 | |
| 25 | I | A | 0.6691 | |
| 26 | N | A | -0.7097 | |
| 27 | M | A | -0.4427 | |
| 28 | K | A | -2.1900 | |
| 29 | S | A | -1.9613 | |
| 30 | H | A | -2.6109 | |
| 31 | N | A | -3.0011 | |
| 32 | R | A | -2.8963 | |
| 33 | S | A | -1.4055 | |
| 34 | T | A | -0.4930 | |
| 35 | L | A | 0.8852 | |
| 36 | H | A | -0.0896 | |
| 37 | T | A | 0.3050 | |
| 38 | L | A | 0.5694 | |
| 39 | N | A | -1.0650 | |
| 40 | A | A | -0.8510 | |
| 41 | K | A | -1.5768 | |
| 42 | P | A | -0.2787 | |
| 43 | I | A | 1.0342 | |
| 44 | K | A | -0.5525 | |
| 45 | I | A | 0.6879 | |
| 46 | H | A | -0.9858 | |
| 47 | R | A | -1.6712 | |
| 48 | S | A | -0.4115 | |
| 49 | L | A | 0.8482 | |
| 50 | C | A | 0.2896 | |
| 51 | E | A | -0.9670 | |
| 52 | C | A | 0.0387 | |
| 53 | D | A | -0.6811 | |
| 54 | L | A | 1.2366 | |
| 55 | Y | A | 1.6866 | |
| 56 | T | A | 0.4573 | |
| 57 | S | A | -0.3902 | |
| 58 | T | A | -0.3952 | |
| 59 | Y | A | -0.6346 | |
| 60 | D | A | -2.5773 | |
| 61 | N | A | -2.7816 | |
| 62 | D | A | -2.8473 | |
| 63 | P | A | -2.7610 | |
| 64 | E | A | -3.3016 | |
| 65 | M | A | -2.4842 | |
| 66 | K | A | -3.5829 | |
| 67 | E | A | -3.3522 | |
| 68 | V | A | -1.2549 | |
| 69 | M | A | -1.6567 | |
| 70 | Q | A | -2.9559 | |
| 71 | Q | A | -2.0638 | |
| 72 | F | A | -0.8570 | |
| 73 | D | A | -3.1188 | |
| 74 | D | A | -3.5753 | |
| 75 | R | A | -3.1766 | |
| 76 | A | A | -2.5421 | |
| 77 | A | A | -2.3948 | |
| 78 | Q | A | -3.5611 | |
| 79 | R | A | -3.6309 | |
| 80 | F | A | -1.4207 | |
| 81 | K | A | -3.2951 | |
| 82 | E | A | -3.5854 | |
| 83 | Y | A | -1.5390 | |
| 84 | E | A | -3.1623 | |
| 85 | E | A | -3.4178 | |
| 86 | M | A | -1.6275 | |
| 87 | L | A | -2.1504 | |
| 88 | Q | A | -2.6913 | |
| 89 | Y | A | -1.5356 | |
| 90 | K | A | -3.0964 | |
| 91 | R | A | -3.8469 | |
| 92 | K | A | -3.4528 | |
| 93 | Q | A | -3.3186 | |
| 94 | C | A | -2.8243 | |
| 95 | K | A | -4.0736 | |
| 96 | K | A | -4.1141 | |
| 97 | Q | A | -3.2925 | |
| 98 | C | A | -2.3303 | |
| 99 | D | A | -3.6698 | |
| 100 | K | A | -3.5538 | |
| 101 | D | A | -1.7262 | |
| 102 | I | A | 0.0054 | |
| 103 | Q | A | -1.2412 | |
| 104 | K | A | -1.5162 | |
| 105 | I | A | 0.9617 | |
| 106 | I | A | 1.3724 | |
| 107 | L | A | 0.0102 | |
| 108 | K | A | -1.7938 | |
| 109 | D | A | -2.5764 | |
| 110 | K | A | -2.1942 | |
| 111 | I | A | -1.4246 | |
| 112 | E | A | -3.3287 | |
| 113 | K | A | -3.8666 | |
| 114 | E | A | -3.1145 | |
| 115 | L | A | -1.3868 | |
| 116 | T | A | -1.5198 | |
| 117 | E | A | -2.4581 | |
| 118 | N | A | -1.3910 | |
| 119 | F | A | 0.6575 | |
| 120 | S | A | -0.3103 | |
| 121 | A | A | -0.0316 | |
| 122 | L | A | 0.7474 | |
| 123 | Q | A | -0.3555 | |
| 124 | T | A | -0.3631 | |
| 125 | D | A | -1.0649 | |
| 126 | I | A | 0.4578 | |
| 127 | S | A | -0.4043 | |
| 128 | T | A | -0.5419 | |
| 129 | N | A | -1.3603 | |
| 130 | D | A | -1.1552 | |
| 131 | I | A | 0.9549 | |
| 132 | P | A | 0.4463 | |
| 133 | T | A | 0.9420 | |
| 134 | C | A | 1.8462 | |
| 135 | I | A | 1.8663 | |
| 136 | C | A | 0.6758 | |
| 137 | E | A | -1.4074 | |
| 138 | K | A | -2.1965 | |
| 139 | S | A | -1.1093 | |
| 140 | V | A | 0.2505 | |
| 141 | A | A | -0.8591 | |
| 142 | D | A | -2.5777 | |
| 143 | K | A | -2.4290 | |
| 144 | V | A | -0.4775 | |
| 145 | E | A | -2.1946 | |
| 146 | K | A | -2.6588 | |
| 147 | T | A | -1.3565 | |
| 148 | C | A | -0.5851 | |
| 149 | L | A | 0.0940 | |
| 150 | K | A | -1.2857 | |
| 151 | C | A | 0.1071 | |
| 152 | G | A | 0.4177 | |
| 153 | G | A | 0.9582 | |
| 154 | I | A | 2.3016 | |
| 155 | L | A | 1.8433 | |
| 156 | G | A | 0.6748 | |
| 157 | G | A | 0.3264 | |
| 158 | G | A | 0.5677 | |
| 159 | I | A | 1.6766 | |
| 160 | A | A | 0.9589 | |
| 161 | P | A | 1.0183 | |
| 162 | G | A | 1.3827 | |
| 163 | W | A | 2.1098 | |
| 164 | S | A | 1.5118 | |
| 165 | L | A | 2.8283 | |
| 166 | V | A | 3.1125 | |
| 167 | S | A | 2.1018 | |
| 168 | G | A | 2.1640 | |
| 169 | L | A | 2.8257 | |
| 170 | G | A | 1.6756 | |
| 171 | Y | A | 2.1910 | |
| 172 | M | A | 1.3069 | |
| 173 | A | A | 0.9293 | |
| 174 | W | A | 1.0968 | |
| 175 | T | A | 0.3603 | |
| 176 | R | A | -0.7770 | |
| 177 | Y | A | 0.8294 | |
| 178 | I | A | 0.3885 | |
| 179 | A | A | -0.1924 | |
| 180 | A | A | -0.7528 | |
| 181 | K | A | -1.0207 | |
| 182 | V | A | -0.7607 | |
| 183 | L | A | -1.2050 | |
| 184 | E | A | -2.9461 | |
| 185 | E | A | -2.8522 | |
| 186 | G | A | 0.0000 | |
| 187 | I | A | -2.1180 | |
| 188 | K | A | -2.8995 | |
| 189 | K | A | -3.2141 | |
| 190 | G | A | 0.0000 | |
| 191 | L | A | 0.0000 | |
| 192 | E | A | -2.0435 | |
| 193 | V | A | -0.8214 | |
| 194 | G | A | 0.0000 | |
| 195 | L | A | 0.0000 | |
| 196 | V | A | 0.2845 | |
| 197 | K | A | -0.6047 | |
| 198 | V | A | 0.0000 | |
| 199 | T | A | -0.2433 | |
| 200 | E | A | -1.3426 | |
| 201 | I | A | 0.0000 | |
| 202 | A | A | 0.0000 | |
| 203 | T | A | -1.0999 | |
| 204 | Q | A | -1.3346 | |
| 205 | M | A | -0.5020 | |
| 206 | I | A | -0.4012 | |
| 207 | G | A | -0.8213 | |
| 208 | D | A | -1.0425 | |
| 209 | V | A | 0.1088 | |
| 210 | N | A | -1.0448 | |
| 211 | K | A | -1.0125 | |
| 212 | V | A | -0.3184 | |
| 213 | P | A | 0.0000 | |
| 214 | S | A | -0.1544 | |
| 215 | I | A | -0.4661 | |
| 216 | D | A | -1.7304 | |
| 217 | I | A | -0.4906 | |
| 218 | L | A | 0.0000 | |
| 219 | Q | A | -1.1499 | |
| 220 | K | A | -1.3125 | |
| 221 | I | A | -0.3084 | |
| 222 | T | A | 0.0000 | |
| 223 | I | A | 0.7358 | |
| 224 | G | A | -0.2638 | |
| 225 | N | A | -1.1138 | |
| 226 | F | A | -1.2152 | |
| 227 | S | A | -1.5621 | |
| 228 | D | A | -2.1308 | |
| 229 | G | A | -1.5016 | |
| 230 | V | A | 0.0000 | |
| 231 | S | A | -0.2675 | |
| 232 | L | A | 0.0000 | |
| 233 | Y | A | -0.7902 | |
| 234 | D | A | -1.3192 | |
| 235 | I | A | 0.0000 | |
| 236 | F | A | 0.0000 | |
| 237 | K | A | -2.0020 | |
| 238 | T | A | 0.0000 | |
| 239 | I | A | 0.0000 | |
| 240 | D | A | -1.2191 | |
| 241 | S | A | -0.7822 | |
| 242 | T | A | -0.6260 | |
| 243 | M | A | -0.5010 | |
| 244 | S | A | -0.3506 | |
| 245 | T | A | -0.7814 | |
| 246 | E | A | -1.3468 | |
| 247 | L | A | 0.0000 | |
| 248 | E | A | -0.9084 | |
| 249 | T | A | -1.0923 | |
| 250 | Q | A | -1.5170 | |
| 251 | G | A | -1.0787 | |
| 252 | Y | A | -0.5866 | |
| 253 | Y | A | 0.2867 | |
| 254 | D | A | -0.4610 | |
| 255 | F | A | 0.0000 | |
| 256 | S | A | 0.0000 | |
| 257 | L | A | 0.5945 | |
| 258 | S | A | 0.0000 | |
| 259 | V | A | 0.0000 | |
| 260 | Q | A | -1.2059 | |
| 261 | S | A | -1.0651 | |
| 262 | I | A | 0.0000 | |
| 263 | A | A | 0.0000 | |
| 264 | D | A | -2.6162 | |
| 265 | D | A | -1.9346 | |
| 266 | P | A | -1.6656 | |
| 267 | A | A | -1.2017 | |
| 268 | K | A | -1.4931 | |
| 269 | L | A | 0.0000 | |
| 270 | K | A | -1.6185 | |
| 271 | W | A | -0.1232 | |
| 272 | C | A | 0.0000 | |
| 273 | S | A | -1.0795 | |
| 274 | Q | A | -1.4497 | |
| 275 | K | A | -1.0516 | |
| 276 | V | A | -0.4992 | |
| 277 | A | A | -0.8720 | |
| 278 | D | A | -1.1155 | |
| 279 | V | A | 0.0000 | |
| 280 | T | A | -1.0304 | |
| 281 | N | A | -1.8675 | |
| 282 | A | A | 0.0000 | |
| 283 | V | A | -1.8241 | |
| 284 | A | A | -1.4490 | |
| 285 | D | A | -2.0938 | |
| 286 | G | A | 0.0000 | |
| 287 | E | A | -1.6946 | |
| 288 | A | A | -0.7509 | |
| 289 | S | A | -0.9116 | |
| 290 | V | A | 0.0000 | |
| 291 | L | A | 0.2903 | |
| 292 | T | A | -0.3280 | |
| 293 | E | A | -1.2426 | |
| 294 | A | A | 0.0000 | |
| 295 | A | A | 0.0989 | |
| 296 | P | A | 0.2888 | |
| 297 | V | A | 1.2064 | |
| 298 | T | A | 0.4487 | |
| 299 | S | A | 0.1473 | |
| 300 | G | A | 0.6679 | |
| 301 | L | A | 1.5716 | |
| 302 | N | A | 0.3844 | |
| 303 | T | A | 0.8057 | |
| 304 | A | A | 1.5255 | |
| 305 | I | A | 2.5111 | |
| 306 | I | A | 3.4605 | |
| 307 | A | A | 2.7372 | |
| 308 | S | A | 2.8376 | |
| 309 | I | A | 4.3396 | |
| 310 | V | A | 5.1008 | |
| 311 | A | A | 4.5183 | |
| 312 | I | A | 5.8042 | |
| 313 | V | A | 6.2167 | |
| 314 | V | A | 5.9792 | |
| 315 | I | A | 6.2354 | |
| 316 | I | A | 6.2971 | |
| 317 | L | A | 5.6780 | |
| 318 | V | A | 5.1061 | |
| 319 | M | A | 4.7160 | |
| 320 | S | A | 4.0403 | |
| 321 | I | A | 4.1188 | |
| 322 | I | A | 4.0814 | |
| 323 | Y | A | 3.4045 | |
| 324 | L | A | 2.5139 | |
| 325 | I | A | 2.2766 | |
| 326 | L | A | 1.3260 | |
| 327 | R | A | -0.6947 | |
| 328 | Y | A | -0.7157 | |
| 329 | R | A | -2.9191 | |
| 330 | R | A | -3.7212 | |
| 331 | K | A | -3.5979 | |
| 332 | K | A | -4.5013 | |
| 333 | K | A | -4.2773 | |
| 334 | I | A | -2.6707 | |
| 335 | H | A | -3.1567 | |
| 336 | K | A | -2.8737 | |
| 337 | K | A | -2.2686 | |
| 338 | L | A | -0.5683 | |
| 339 | Q | A | -0.5101 | |
| 340 | Y | A | 0.8120 | |
| 341 | I | A | 0.7091 | |
| 342 | K | A | -0.2345 | |
| 343 | L | A | 1.3823 | |
| 344 | L | A | 1.3500 | |
| 345 | Q | A | -0.6418 | |
| 346 | Q | A | -1.0288 |
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