| Chain sequence(s) |
A: MSHHHHHHSGMTPVGMFARAMAKFFISTPKWLKDNKFPEPVVAFFEGLSVESKEYEAGKGSEDPAEAKPFIKKMWSKLSNYVNSMTDLTNIGRIMEWFMRIMYYMVKYLFNSPVYQEHKAPHGAAVKVELPAPVKSVLEDMQQFSSDFMKDVTATVAQNVTEKERKGWWNDVVAVMFYYLERVVKVTEGDPQFVAVFLKMIKEHFQIYNEIMDSNDASIATWMAVIDELIEAAKAGQIDNVLFFSTGDRSTDHYYYWPPYSEKDQMYYGIDKARKILVKGGYVINPGTQAFFEGYDEDPRQFYKAQKDGNMTEIITAKDPDGKTMVVIFNFSKGANS
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] (00:00:02)
[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 minimalization (00:00:02)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:12:49)
[INFO] Main: Simulation completed successfully. (00:12:51)
|
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 | 0.5448 | |
| 2 | S | A | -0.6480 | |
| 3 | H | A | -1.7564 | |
| 4 | H | A | -2.3699 | |
| 5 | H | A | -2.7880 | |
| 6 | H | A | -2.7636 | |
| 7 | H | A | -2.6494 | |
| 8 | H | A | -2.1817 | |
| 9 | S | A | -1.4912 | |
| 10 | G | A | -1.3110 | |
| 11 | M | A | -0.9941 | |
| 12 | T | A | -0.4606 | |
| 13 | P | A | 0.0000 | |
| 14 | V | A | -0.4725 | |
| 15 | G | A | 0.0000 | |
| 16 | M | A | -0.0994 | |
| 17 | F | A | 0.0000 | |
| 18 | A | A | 0.0000 | |
| 19 | R | A | -1.1022 | |
| 20 | A | A | -0.4377 | |
| 21 | M | A | 0.0000 | |
| 22 | A | A | 0.0000 | |
| 23 | K | A | -1.9278 | |
| 24 | F | A | 0.0000 | |
| 25 | F | A | 0.0000 | |
| 26 | I | A | -0.7315 | |
| 27 | S | A | -0.7476 | |
| 28 | T | A | 0.0000 | |
| 29 | P | A | 0.0000 | |
| 30 | K | A | -2.7353 | |
| 31 | W | A | -1.6562 | |
| 32 | L | A | 0.0000 | |
| 33 | K | A | -3.8003 | |
| 34 | D | A | -3.7468 | |
| 35 | N | A | -3.3837 | |
| 36 | K | A | -3.5837 | |
| 37 | F | A | -2.0983 | |
| 38 | P | A | -1.7075 | |
| 39 | E | A | -2.2925 | |
| 40 | P | A | -1.1128 | |
| 41 | V | A | 0.0000 | |
| 42 | V | A | -1.5022 | |
| 43 | A | A | -0.8476 | |
| 44 | F | A | -0.4787 | |
| 45 | F | A | 0.0000 | |
| 46 | E | A | -1.0356 | |
| 47 | G | A | -0.2890 | |
| 48 | L | A | 0.0000 | |
| 49 | S | A | 0.0000 | |
| 50 | V | A | 0.1591 | |
| 51 | E | A | -1.1992 | |
| 52 | S | A | 0.0000 | |
| 53 | K | A | -2.2291 | |
| 54 | E | A | -2.5641 | |
| 55 | Y | A | 0.0000 | |
| 56 | E | A | -2.0029 | |
| 57 | A | A | -1.6663 | |
| 58 | G | A | -2.2579 | |
| 59 | K | A | -2.6216 | |
| 60 | G | A | -2.2379 | |
| 61 | S | A | 0.0000 | |
| 62 | E | A | -2.3988 | |
| 63 | D | A | -2.5192 | |
| 64 | P | A | -1.4798 | |
| 65 | A | A | -1.3735 | |
| 66 | E | A | -2.3917 | |
| 67 | A | A | 0.0000 | |
| 68 | K | A | -1.8297 | |
| 69 | P | A | -1.8145 | |
| 70 | F | A | 0.0000 | |
| 71 | I | A | 0.0000 | |
| 72 | K | A | -2.6064 | |
| 73 | K | A | -2.5064 | |
| 74 | M | A | 0.0000 | |
| 75 | W | A | 0.0000 | |
| 76 | S | A | -1.7344 | |
| 77 | K | A | -1.6930 | |
| 78 | L | A | 0.0000 | |
| 79 | S | A | -1.4645 | |
| 80 | N | A | -1.8924 | |
| 81 | Y | A | -0.9328 | |
| 82 | V | A | 0.0000 | |
| 83 | N | A | -1.6665 | |
| 84 | S | A | -1.0479 | |
| 85 | M | A | 0.0000 | |
| 86 | T | A | -1.0584 | |
| 87 | D | A | -1.1770 | |
| 88 | L | A | -1.0092 | |
| 89 | T | A | -0.9164 | |
| 90 | N | A | 0.0000 | |
| 91 | I | A | 0.0000 | |
| 92 | G | A | -1.0902 | |
| 93 | R | A | -1.4400 | |
| 94 | I | A | 0.0000 | |
| 95 | M | A | 0.0000 | |
| 96 | E | A | -0.8639 | |
| 97 | W | A | 0.0000 | |
| 98 | F | A | 0.0000 | |
| 99 | M | A | 0.0000 | |
| 100 | R | A | -0.2922 | |
| 101 | I | A | 0.0000 | |
| 102 | M | A | 0.0000 | |
| 103 | Y | A | 0.1025 | |
| 104 | Y | A | 0.3939 | |
| 105 | M | A | 0.0000 | |
| 106 | V | A | 0.0000 | |
| 107 | K | A | -0.6397 | |
| 108 | Y | A | 0.0650 | |
| 109 | L | A | 0.0000 | |
| 110 | F | A | 0.0000 | |
| 111 | N | A | -1.5301 | |
| 112 | S | A | 0.0000 | |
| 113 | P | A | -1.5453 | |
| 114 | V | A | -1.0094 | |
| 115 | Y | A | 0.0000 | |
| 116 | Q | A | -2.1798 | |
| 117 | E | A | -2.7342 | |
| 118 | H | A | -2.2249 | |
| 119 | K | A | -2.1220 | |
| 120 | A | A | -1.2485 | |
| 121 | P | A | -1.0197 | |
| 122 | H | A | -1.4388 | |
| 123 | G | A | -0.7444 | |
| 124 | A | A | -0.1506 | |
| 125 | A | A | 0.2508 | |
| 126 | V | A | 0.6084 | |
| 127 | K | A | -1.2576 | |
| 128 | V | A | -0.9956 | |
| 129 | E | A | -2.0586 | |
| 130 | L | A | -1.3218 | |
| 131 | P | A | -0.9996 | |
| 132 | A | A | -0.5123 | |
| 133 | P | A | -0.3092 | |
| 134 | V | A | 0.0000 | |
| 135 | K | A | -1.6188 | |
| 136 | S | A | -1.3362 | |
| 137 | V | A | 0.0000 | |
| 138 | L | A | 0.0000 | |
| 139 | E | A | -2.7566 | |
| 140 | D | A | -2.4099 | |
| 141 | M | A | 0.0000 | |
| 142 | Q | A | -2.0096 | |
| 143 | Q | A | -2.2928 | |
| 144 | F | A | -1.5752 | |
| 145 | S | A | 0.0000 | |
| 146 | S | A | 0.0000 | |
| 147 | D | A | -1.6268 | |
| 148 | F | A | 0.0000 | |
| 149 | M | A | 0.0000 | |
| 150 | K | A | -2.0428 | |
| 151 | D | A | -1.7004 | |
| 152 | V | A | 0.0000 | |
| 153 | T | A | 0.0000 | |
| 154 | A | A | -0.8489 | |
| 155 | T | A | 0.0000 | |
| 156 | V | A | 0.0000 | |
| 157 | A | A | -1.0406 | |
| 158 | Q | A | -1.5657 | |
| 159 | N | A | -1.6731 | |
| 160 | V | A | 0.0000 | |
| 161 | T | A | -2.1788 | |
| 162 | E | A | -3.2315 | |
| 163 | K | A | -3.2648 | |
| 164 | E | A | -2.6475 | |
| 165 | R | A | -2.4015 | |
| 166 | K | A | -2.3260 | |
| 167 | G | A | 0.0000 | |
| 168 | W | A | 0.0000 | |
| 169 | W | A | 0.0000 | |
| 170 | N | A | 0.0000 | |
| 171 | D | A | -0.9605 | |
| 172 | V | A | 0.0000 | |
| 173 | V | A | 0.0000 | |
| 174 | A | A | 0.0000 | |
| 175 | V | A | -0.1147 | |
| 176 | M | A | 0.0000 | |
| 177 | F | A | 0.0000 | |
| 178 | Y | A | 0.1013 | |
| 179 | Y | A | 0.0000 | |
| 180 | L | A | 0.0000 | |
| 181 | E | A | 0.0000 | |
| 182 | R | A | -1.1368 | |
| 183 | V | A | 0.0000 | |
| 184 | V | A | 0.0000 | |
| 185 | K | A | -2.7585 | |
| 186 | V | A | -1.4191 | |
| 187 | T | A | 0.0000 | |
| 188 | E | A | -2.9696 | |
| 189 | G | A | 0.0000 | |
| 190 | D | A | 0.0000 | |
| 191 | P | A | -1.4236 | |
| 192 | Q | A | -0.8573 | |
| 193 | F | A | 0.0000 | |
| 194 | V | A | 0.0000 | |
| 195 | A | A | 0.0000 | |
| 196 | V | A | -0.6677 | |
| 197 | F | A | 0.0000 | |
| 198 | L | A | 0.0000 | |
| 199 | K | A | -1.4245 | |
| 200 | M | A | 0.0000 | |
| 201 | I | A | 0.0000 | |
| 202 | K | A | -1.4965 | |
| 203 | E | A | -2.2060 | |
| 204 | H | A | 0.0000 | |
| 205 | F | A | 0.0000 | |
| 206 | Q | A | -1.6621 | |
| 207 | I | A | 0.0000 | |
| 208 | Y | A | 0.0000 | |
| 209 | N | A | -2.1983 | |
| 210 | E | A | -2.6611 | |
| 211 | I | A | -1.1474 | |
| 212 | M | A | -1.7668 | |
| 213 | D | A | -2.6925 | |
| 214 | S | A | -2.2680 | |
| 215 | N | A | -2.3145 | |
| 216 | D | A | -1.4153 | |
| 217 | A | A | -0.5785 | |
| 218 | S | A | -0.3834 | |
| 219 | I | A | 0.0000 | |
| 220 | A | A | -0.2379 | |
| 221 | T | A | -0.0186 | |
| 222 | W | A | 0.0000 | |
| 223 | M | A | -0.6428 | |
| 224 | A | A | -0.4923 | |
| 225 | V | A | -0.4273 | |
| 226 | I | A | 0.0000 | |
| 227 | D | A | -2.2054 | |
| 228 | E | A | -2.6581 | |
| 229 | L | A | 0.0000 | |
| 230 | I | A | 0.0000 | |
| 231 | E | A | -3.0190 | |
| 232 | A | A | -2.2148 | |
| 233 | A | A | 0.0000 | |
| 234 | K | A | -1.8470 | |
| 235 | A | A | -1.3736 | |
| 236 | G | A | -1.7806 | |
| 237 | Q | A | -2.2144 | |
| 238 | I | A | 0.0000 | |
| 239 | D | A | -3.1557 | |
| 240 | N | A | -2.1114 | |
| 241 | V | A | 0.0000 | |
| 242 | L | A | -0.1536 | |
| 243 | F | A | 0.0000 | |
| 244 | F | A | 0.0000 | |
| 245 | S | A | 0.0000 | |
| 246 | T | A | -1.2578 | |
| 247 | G | A | -1.0979 | |
| 248 | D | A | -1.7747 | |
| 249 | R | A | -1.2632 | |
| 250 | S | A | 0.0000 | |
| 251 | T | A | -0.3289 | |
| 252 | D | A | 0.0422 | |
| 253 | H | A | 0.2469 | |
| 254 | Y | A | 1.7586 | |
| 255 | Y | A | 2.1522 | |
| 256 | Y | A | 0.0000 | |
| 257 | W | A | 1.3916 | |
| 258 | P | A | 0.5742 | |
| 259 | P | A | 0.1154 | |
| 260 | Y | A | 0.2718 | |
| 261 | S | A | -0.9281 | |
| 262 | E | A | -1.8263 | |
| 263 | K | A | -2.1193 | |
| 264 | D | A | -1.3740 | |
| 265 | Q | A | 0.0000 | |
| 266 | M | A | 0.0000 | |
| 267 | Y | A | -0.6276 | |
| 268 | Y | A | -0.0003 | |
| 269 | G | A | 0.0000 | |
| 270 | I | A | 0.0000 | |
| 271 | D | A | -1.1348 | |
| 272 | K | A | -0.9159 | |
| 273 | A | A | 0.0000 | |
| 274 | R | A | -1.2198 | |
| 275 | K | A | -2.0070 | |
| 276 | I | A | -0.9569 | |
| 277 | L | A | 0.0000 | |
| 278 | V | A | 0.4918 | |
| 279 | K | A | -1.5212 | |
| 280 | G | A | -0.9059 | |
| 281 | G | A | -0.4776 | |
| 282 | Y | A | 0.1469 | |
| 283 | V | A | 1.4651 | |
| 284 | I | A | 0.8006 | |
| 285 | N | A | -0.4012 | |
| 286 | P | A | -0.6894 | |
| 287 | G | A | -1.0206 | |
| 288 | T | A | 0.0000 | |
| 289 | Q | A | -1.3410 | |
| 290 | A | A | -1.3396 | |
| 291 | F | A | 0.0000 | |
| 292 | F | A | 0.0000 | |
| 293 | E | A | -2.8802 | |
| 294 | G | A | -2.2536 | |
| 295 | Y | A | 0.0000 | |
| 296 | D | A | -3.4802 | |
| 297 | E | A | -3.6059 | |
| 298 | D | A | -3.0211 | |
| 299 | P | A | -2.8005 | |
| 300 | R | A | -3.5005 | |
| 301 | Q | A | -3.0182 | |
| 302 | F | A | -2.5820 | |
| 303 | Y | A | 0.0000 | |
| 304 | K | A | -3.4369 | |
| 305 | A | A | -2.2149 | |
| 306 | Q | A | -1.6867 | |
| 307 | K | A | -2.3299 | |
| 308 | D | A | -2.8000 | |
| 309 | G | A | -1.8549 | |
| 310 | N | A | -1.5796 | |
| 311 | M | A | -0.6571 | |
| 312 | T | A | 0.0000 | |
| 313 | E | A | -0.2141 | |
| 314 | I | A | 0.1383 | |
| 315 | I | A | 0.0000 | |
| 316 | T | A | -0.1927 | |
| 317 | A | A | 0.0000 | |
| 318 | K | A | -1.6896 | |
| 319 | D | A | -1.3385 | |
| 320 | P | A | -1.4190 | |
| 321 | D | A | -2.5365 | |
| 322 | G | A | -1.9016 | |
| 323 | K | A | -2.4945 | |
| 324 | T | A | -1.7252 | |
| 325 | M | A | 0.0000 | |
| 326 | V | A | 0.0000 | |
| 327 | V | A | 0.0000 | |
| 328 | I | A | 0.0000 | |
| 329 | F | A | 0.0000 | |
| 330 | N | A | 0.0000 | |
| 331 | F | A | 0.0000 | |
| 332 | S | A | 0.0000 | |
| 333 | K | A | -1.4360 | |
| 334 | G | A | 0.0000 | |
| 335 | A | A | -1.4921 | |
| 336 | N | A | -1.5812 | |
| 337 | S | A | -0.9721 |
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