| Chain sequence(s) |
A: EQHDLFSGTFWQNPHPAYAALRAEDPVRKLALPDGPVWLLTRYADVREAFVDPRLSKDWRHTLPEDQRADMPATPTPMMILMDPPDHTRLRKLVGRSFTVRRMNELEPRITEIADGLLAGLPTDGPVDLMREYAFQIPVQVICELLGVPAEDRDDFSAWSSVLVDDSPADDKNAAMGKLHGYLSDLLERKRTEPDDALLSSLLAVSDEDGDRLSQEELVAMAMLLLIAGHETTVNLIGNGVLALLTHPDQRKLLAEDPSLISSAVEEFLRFDSPVSQAPIRFTAEDVTYSGVTIPAGEMVMLGLAAANRDADWMPEPDRLDITRDASGGVFFGHGIHFCLGAQLARLEGRVAIGRLFADRPELALAVGLDELVYRESTLVRGLSRMPVTMGPRSA
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Mutated residues | ET384A,DP204A,TR386A,SR105A,SR209A |
| Energy difference between WT (input) and mutated protein (by FoldX) | 4.53696 kcal/mol
CAUTION: Your mutation/s can destabilize the protein structure |
| 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] FoldX: Building mutant model (00:04:09)
[INFO] FoldX: Starting FoldX energy minimalization (00:05:00)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:07:01)
[INFO] Main: Simulation completed successfully. (00:07:04)
|
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 | |
| 9 | E | A | -2.5578 | |
| 10 | Q | A | -2.3856 | |
| 11 | H | A | -1.7751 | |
| 12 | D | A | -1.6003 | |
| 13 | L | A | -0.5764 | |
| 14 | F | A | 0.0000 | |
| 15 | S | A | -0.7151 | |
| 16 | G | A | -0.9937 | |
| 17 | T | A | -0.9683 | |
| 18 | F | A | 0.0000 | |
| 19 | W | A | -0.5149 | |
| 20 | Q | A | -1.1428 | |
| 21 | N | A | -1.4829 | |
| 22 | P | A | 0.0000 | |
| 23 | H | A | 0.0000 | |
| 24 | P | A | -0.7445 | |
| 25 | A | A | 0.0000 | |
| 26 | Y | A | 0.0000 | |
| 27 | A | A | -0.6789 | |
| 28 | A | A | -1.1621 | |
| 29 | L | A | 0.0000 | |
| 30 | R | A | -1.1382 | |
| 31 | A | A | -1.1717 | |
| 32 | E | A | -2.2173 | |
| 33 | D | A | -1.8598 | |
| 34 | P | A | -1.3027 | |
| 35 | V | A | 0.0000 | |
| 36 | R | A | -1.3428 | |
| 37 | K | A | -1.4542 | |
| 38 | L | A | 0.0000 | |
| 39 | A | A | -0.5901 | |
| 40 | L | A | -0.7964 | |
| 41 | P | A | -1.1055 | |
| 42 | D | A | -1.9490 | |
| 43 | G | A | -1.0677 | |
| 44 | P | A | -0.8963 | |
| 45 | V | A | 0.0000 | |
| 46 | W | A | -0.5269 | |
| 47 | L | A | 0.0000 | |
| 48 | L | A | 0.0000 | |
| 49 | T | A | 0.0000 | |
| 50 | R | A | -1.2049 | |
| 51 | Y | A | 0.0000 | |
| 52 | A | A | -1.3944 | |
| 53 | D | A | -1.4509 | |
| 54 | V | A | 0.0000 | |
| 55 | R | A | -2.0784 | |
| 56 | E | A | -2.0285 | |
| 57 | A | A | 0.0000 | |
| 58 | F | A | 0.0000 | |
| 59 | V | A | 0.8384 | |
| 60 | D | A | 0.0000 | |
| 61 | P | A | -0.4949 | |
| 62 | R | A | -1.1662 | |
| 63 | L | A | 0.0000 | |
| 64 | S | A | 0.0000 | |
| 65 | K | A | -0.0821 | |
| 66 | D | A | -0.2382 | |
| 67 | W | A | -0.0136 | |
| 68 | R | A | -0.9543 | |
| 69 | H | A | -1.0500 | |
| 70 | T | A | -0.6442 | |
| 71 | L | A | -1.3519 | |
| 72 | P | A | -2.1753 | |
| 73 | E | A | -3.3746 | |
| 74 | D | A | -3.4251 | |
| 75 | Q | A | -3.1869 | |
| 76 | R | A | -2.8067 | |
| 77 | A | A | -2.0247 | |
| 78 | D | A | -2.0873 | |
| 79 | M | A | -1.1944 | |
| 80 | P | A | -0.7474 | |
| 81 | A | A | -0.4099 | |
| 82 | T | A | -0.0740 | |
| 83 | P | A | -0.2219 | |
| 84 | T | A | -0.4034 | |
| 85 | P | A | -0.5637 | |
| 86 | M | A | 0.0000 | |
| 87 | M | A | 0.0000 | |
| 88 | I | A | 0.8537 | |
| 89 | L | A | 0.3707 | |
| 90 | M | A | -0.3941 | |
| 91 | D | A | -0.9258 | |
| 92 | P | A | -1.2774 | |
| 93 | P | A | -1.4979 | |
| 94 | D | A | -2.2977 | |
| 95 | H | A | 0.0000 | |
| 96 | T | A | -1.3752 | |
| 97 | R | A | -2.0173 | |
| 98 | L | A | 0.0000 | |
| 99 | R | A | -1.3863 | |
| 100 | K | A | -1.9503 | |
| 101 | L | A | 0.0000 | |
| 102 | V | A | 0.0000 | |
| 103 | G | A | -1.3708 | |
| 104 | R | A | -2.2135 | |
| 105 | R | A | -1.3958 | mutated: SR105A |
| 106 | F | A | -0.5473 | |
| 107 | T | A | -0.5019 | |
| 108 | V | A | 0.2197 | |
| 109 | R | A | -1.7721 | |
| 110 | R | A | 0.0000 | |
| 111 | M | A | 0.0000 | |
| 112 | N | A | -2.4602 | |
| 113 | E | A | -2.3993 | |
| 114 | L | A | 0.0000 | |
| 115 | E | A | -1.9072 | |
| 116 | P | A | -1.7359 | |
| 117 | R | A | -1.9753 | |
| 118 | I | A | 0.0000 | |
| 119 | T | A | -1.7058 | |
| 120 | E | A | -2.3394 | |
| 121 | I | A | -1.2621 | |
| 122 | A | A | 0.0000 | |
| 123 | D | A | -1.5923 | |
| 124 | G | A | -1.1028 | |
| 125 | L | A | -0.6814 | |
| 126 | L | A | 0.0000 | |
| 127 | A | A | -0.6283 | |
| 128 | G | A | -0.6765 | |
| 129 | L | A | 0.0000 | |
| 130 | P | A | -1.2207 | |
| 131 | T | A | -1.8022 | |
| 132 | D | A | -2.1995 | |
| 133 | G | A | -1.5475 | |
| 134 | P | A | -0.9705 | |
| 135 | V | A | 0.0000 | |
| 136 | D | A | 0.0000 | |
| 137 | L | A | 0.0000 | |
| 138 | M | A | 0.0000 | |
| 139 | R | A | -2.6395 | |
| 140 | E | A | -2.0421 | |
| 141 | Y | A | 0.0000 | |
| 142 | A | A | 0.0000 | |
| 143 | F | A | -0.7467 | |
| 144 | Q | A | -0.8175 | |
| 145 | I | A | 0.0000 | |
| 146 | P | A | 0.0000 | |
| 147 | V | A | 0.0000 | |
| 148 | Q | A | -0.7117 | |
| 149 | V | A | 0.0000 | |
| 150 | I | A | 0.0000 | |
| 151 | C | A | 0.0000 | |
| 152 | E | A | -0.4620 | |
| 153 | L | A | 0.0000 | |
| 154 | L | A | 0.0000 | |
| 155 | G | A | -0.3162 | |
| 156 | V | A | 0.0000 | |
| 157 | P | A | -0.8798 | |
| 158 | A | A | -1.5976 | |
| 159 | E | A | -2.6846 | |
| 160 | D | A | -2.3231 | |
| 161 | R | A | -2.3944 | |
| 162 | D | A | -2.9682 | |
| 163 | D | A | -2.4702 | |
| 164 | F | A | 0.0000 | |
| 165 | S | A | -1.0917 | |
| 166 | A | A | -0.7376 | |
| 167 | W | A | -0.4735 | |
| 168 | S | A | 0.0000 | |
| 169 | S | A | -0.4370 | |
| 170 | V | A | -0.9428 | |
| 171 | L | A | -0.4800 | |
| 172 | V | A | -0.4862 | |
| 173 | D | A | -2.5143 | |
| 174 | D | A | -2.6653 | |
| 175 | S | A | -2.0244 | |
| 176 | P | A | -2.0235 | |
| 177 | A | A | -2.1513 | |
| 178 | D | A | -2.8868 | |
| 179 | D | A | -2.9055 | |
| 180 | K | A | -2.2954 | |
| 181 | N | A | -2.4201 | |
| 182 | A | A | -1.6895 | |
| 183 | A | A | 0.0000 | |
| 184 | M | A | -0.8687 | |
| 185 | G | A | -1.4125 | |
| 186 | K | A | -1.4822 | |
| 187 | L | A | 0.0000 | |
| 188 | H | A | -1.1900 | |
| 189 | G | A | -1.2457 | |
| 190 | Y | A | -0.9688 | |
| 191 | L | A | 0.0000 | |
| 192 | S | A | -2.1726 | |
| 193 | D | A | -2.7761 | |
| 194 | L | A | 0.0000 | |
| 195 | L | A | 0.0000 | |
| 196 | E | A | -4.0435 | |
| 197 | R | A | -4.0091 | |
| 198 | K | A | 0.0000 | |
| 199 | R | A | -3.7214 | |
| 200 | T | A | -2.8826 | |
| 201 | E | A | -3.3666 | |
| 202 | P | A | -2.6025 | |
| 203 | D | A | -1.9051 | |
| 204 | P | A | -0.8970 | mutated: DP204A |
| 205 | A | A | 0.0000 | |
| 206 | L | A | 0.0000 | |
| 207 | L | A | 0.0000 | |
| 208 | S | A | -2.0721 | |
| 209 | R | A | -2.0297 | mutated: SR209A |
| 210 | L | A | 0.0000 | |
| 211 | L | A | -1.2521 | |
| 212 | A | A | -0.9868 | |
| 213 | V | A | 0.0000 | |
| 214 | S | A | -2.1986 | |
| 215 | D | A | -2.8457 | |
| 216 | E | A | -3.2846 | |
| 217 | D | A | -3.3071 | |
| 218 | G | A | -2.5743 | |
| 219 | D | A | -2.7466 | |
| 220 | R | A | -2.8947 | |
| 221 | L | A | 0.0000 | |
| 222 | S | A | -1.8114 | |
| 223 | Q | A | -2.5046 | |
| 224 | E | A | -2.5469 | |
| 225 | E | A | -1.7270 | |
| 226 | L | A | 0.0000 | |
| 227 | V | A | -1.0505 | |
| 228 | A | A | 0.0000 | |
| 229 | M | A | 0.0000 | |
| 230 | A | A | 0.0000 | |
| 231 | M | A | 0.0000 | |
| 232 | L | A | 0.0000 | |
| 233 | L | A | 0.4045 | |
| 234 | L | A | 0.0000 | |
| 235 | I | A | 0.8339 | |
| 236 | A | A | 0.4481 | |
| 237 | G | A | 0.1335 | |
| 238 | H | A | 0.0000 | |
| 239 | E | A | 0.0759 | |
| 240 | T | A | 0.0447 | |
| 241 | T | A | 0.0000 | |
| 242 | V | A | 0.0000 | |
| 243 | N | A | 0.0000 | |
| 244 | L | A | 0.0000 | |
| 245 | I | A | 0.0000 | |
| 246 | G | A | 0.0000 | |
| 247 | N | A | 0.0000 | |
| 248 | G | A | 0.0000 | |
| 249 | V | A | 0.0000 | |
| 250 | L | A | 0.0000 | |
| 251 | A | A | 0.0000 | |
| 252 | L | A | 0.0000 | |
| 253 | L | A | -0.2850 | |
| 254 | T | A | -0.1562 | |
| 255 | H | A | -1.4093 | |
| 256 | P | A | -1.6257 | |
| 257 | D | A | -2.4745 | |
| 258 | Q | A | 0.0000 | |
| 259 | R | A | -1.9165 | |
| 260 | K | A | -2.8879 | |
| 261 | L | A | -1.7340 | |
| 262 | L | A | 0.0000 | |
| 263 | A | A | -1.8231 | |
| 264 | E | A | -2.5917 | |
| 265 | D | A | -1.9731 | |
| 266 | P | A | -1.2863 | |
| 267 | S | A | -0.7956 | |
| 268 | L | A | -0.4035 | |
| 269 | I | A | -0.3933 | |
| 270 | S | A | -0.4673 | |
| 271 | S | A | -0.7085 | |
| 272 | A | A | 0.0000 | |
| 273 | V | A | 0.0000 | |
| 274 | E | A | -0.7512 | |
| 275 | E | A | 0.0000 | |
| 276 | F | A | 0.0000 | |
| 277 | L | A | 0.0000 | |
| 278 | R | A | 0.0000 | |
| 279 | F | A | -0.6062 | |
| 280 | D | A | 0.0000 | |
| 281 | S | A | 0.0000 | |
| 282 | P | A | 0.0000 | |
| 283 | V | A | 0.3613 | |
| 284 | S | A | 0.0000 | |
| 285 | Q | A | 0.0000 | |
| 286 | A | A | 0.1075 | |
| 287 | P | A | 0.1359 | |
| 288 | I | A | 0.3155 | |
| 289 | R | A | 0.0000 | |
| 290 | F | A | -0.2611 | |
| 291 | T | A | 0.0000 | |
| 292 | A | A | -1.6555 | |
| 293 | E | A | -2.9366 | |
| 294 | D | A | -2.8976 | |
| 295 | V | A | 0.0000 | |
| 296 | T | A | -0.5059 | |
| 297 | Y | A | 0.0000 | |
| 298 | S | A | -0.3808 | |
| 299 | G | A | -0.2848 | |
| 300 | V | A | 0.0704 | |
| 301 | T | A | -0.4434 | |
| 302 | I | A | 0.0000 | |
| 303 | P | A | -1.3293 | |
| 304 | A | A | -1.7788 | |
| 305 | G | A | -0.9730 | |
| 306 | E | A | -0.8593 | |
| 307 | M | A | -0.0221 | |
| 308 | V | A | 0.0000 | |
| 309 | M | A | 0.0000 | |
| 310 | L | A | 0.0000 | |
| 311 | G | A | 0.0000 | |
| 312 | L | A | 0.0000 | |
| 313 | A | A | 0.0000 | |
| 314 | A | A | 0.0000 | |
| 315 | A | A | 0.0000 | |
| 316 | N | A | 0.0000 | |
| 317 | R | A | 0.0000 | |
| 318 | D | A | 0.0000 | |
| 319 | A | A | -1.6178 | |
| 320 | D | A | -1.9859 | |
| 321 | W | A | -1.0592 | |
| 322 | M | A | 0.0000 | |
| 323 | P | A | -1.9414 | |
| 324 | E | A | -3.2887 | |
| 325 | P | A | -2.6679 | |
| 326 | D | A | -3.3405 | |
| 327 | R | A | -3.4913 | |
| 328 | L | A | 0.0000 | |
| 329 | D | A | -2.0754 | |
| 330 | I | A | 0.0000 | |
| 331 | T | A | -0.7387 | |
| 332 | R | A | -1.6074 | |
| 333 | D | A | -2.1617 | |
| 334 | A | A | -1.3074 | |
| 335 | S | A | -1.0096 | |
| 336 | G | A | -0.8877 | |
| 337 | G | A | -0.6590 | |
| 338 | V | A | 0.0000 | |
| 339 | F | A | 0.0000 | |
| 340 | F | A | 0.3887 | |
| 341 | G | A | 0.1393 | |
| 342 | H | A | -0.0731 | |
| 343 | G | A | 0.5051 | |
| 344 | I | A | 1.3320 | |
| 345 | H | A | 0.9956 | |
| 346 | F | A | 1.1101 | |
| 347 | C | A | 0.6762 | |
| 348 | L | A | 0.3822 | |
| 349 | G | A | -0.1517 | |
| 350 | A | A | 0.0000 | |
| 351 | Q | A | -1.1158 | |
| 352 | L | A | 0.0000 | |
| 353 | A | A | -0.6167 | |
| 354 | R | A | -1.0672 | |
| 355 | L | A | -0.9637 | |
| 356 | E | A | 0.0000 | |
| 357 | G | A | 0.0000 | |
| 358 | R | A | -1.0357 | |
| 359 | V | A | 0.0000 | |
| 360 | A | A | 0.0000 | |
| 361 | I | A | 0.0000 | |
| 362 | G | A | -0.7769 | |
| 363 | R | A | -1.2402 | |
| 364 | L | A | 0.0000 | |
| 365 | F | A | -0.7328 | |
| 366 | A | A | -0.8504 | |
| 367 | D | A | -1.3257 | |
| 368 | R | A | 0.0000 | |
| 369 | P | A | -1.5495 | |
| 370 | E | A | -2.1640 | |
| 371 | L | A | 0.0000 | |
| 372 | A | A | -0.2678 | |
| 373 | L | A | 0.5122 | |
| 374 | A | A | 0.1032 | |
| 375 | V | A | -0.1720 | |
| 376 | G | A | -0.6869 | |
| 377 | L | A | -0.4022 | |
| 378 | D | A | -2.1581 | |
| 379 | E | A | -1.9552 | |
| 380 | L | A | 0.0000 | |
| 381 | V | A | 0.5709 | |
| 382 | Y | A | 0.0000 | |
| 383 | R | A | -0.2690 | |
| 384 | T | A | -0.2084 | mutated: ET384A |
| 385 | S | A | -0.3230 | |
| 386 | R | A | -0.4473 | mutated: TR386A |
| 387 | L | A | 0.1407 | |
| 388 | V | A | 0.1665 | |
| 389 | R | A | 0.0000 | |
| 390 | G | A | 0.0000 | |
| 391 | L | A | 0.0000 | |
| 392 | S | A | -0.8097 | |
| 393 | R | A | -1.9593 | |
| 394 | M | A | 0.0000 | |
| 395 | P | A | 0.0000 | |
| 396 | V | A | 0.0000 | |
| 397 | T | A | -1.0086 | |
| 398 | M | A | 0.0000 | |
| 399 | G | A | 0.0000 | |
| 400 | P | A | -1.8344 | |
| 401 | R | A | -2.1183 | |
| 402 | S | A | -1.2640 | |
| 403 | A | A | -0.4704 |
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