| Chain sequence(s) |
A: MMDGPRSDVGRWGGNPLQPPTTPSPEPEPEPDGRSRRGGGRSFWARCCGCCSCRNAADDDWGPEPSDSRGRGSSSGTRRPGSRGSDSRRPVSRGSGVNAAGDGTIREGMLVVNGVDLLSSRSDQNRREHHTDEYEYDELIVRRGQPFHMLLLLSRTYESSDRITLELLIGNNPEVGKGTHVIIPVGKGGSGGWKAQVVKASGQNLNLRVHTSPNAIIGKFQFTVRTQSDAGEFQLPFDPRNEIYILFNPWCPEDIVYVDHEDWRQEYVLNESGRIYYGTEAQIGERTWNYGQFDHGVLDACLYILDRRGMPYGGRGDPVNVSRVISAMVNSLDDNGVLIGNWSGDYSRGTNPSAWVGSVEILLSYLRTGYSVPYGQCWVFAGVTTTVLRCLGLATRTVTNFNSAHDTDTSLTMDIYFDENMKPLEHLNHDSVWNFHVWNDCWMKRPDLPSGFDGWQVVDATPQETSSGIFCCGPCSVESIKNGLVYMKYDTPFIFAEVNSDKVYWQRQDDGSFKIVYVEEKAIGTLIVTKAISSNMREDITYLYKHPEGSDAERKAVETAAAHGSKPNVYANRGSAEDVAMQVEAQDAVMGQDLMVSVMLINHSSSRRTVKLHLYLSVTFYTGVSGTIFKETKKEVELAPGASDRVTMPVAYKEYRPHLVDQGAMLLNVSGHVKESGQVLAKQHTFRLRTPDLSLTLLGAAVVGQECEVQIVFKNPLPVTLTNVVFRLEGSGLQRPKILNVGDIGGNETVTLRQSFVPVRPGPRQLIASLDSPQLSQVHGVIQVDVAPAPGDGGFFSDAGGDSHLGETIPMASRGGA
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | Yes |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:00)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:00)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:01)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:10:53)
[INFO] Auto_mut: Residue number 796 from chain A and a score of 1.982 (phenylalanine)
selected for automated muatation (00:11:05)
[INFO] Auto_mut: Mutating residue number 796 from chain A (phenylalanine) into lysine (00:11:05)
[INFO] Auto_mut: Mutating residue number 796 from chain A (phenylalanine) into glutamic acid
Mutating residue number 796 from chain A (phenylalanine) into glutamic acid (00:11:05)
[INFO] Auto_mut: Mutating residue number 796 from chain A (phenylalanine) into aspartic acid
Mutating residue number 796 from chain A (phenylalanine) into aspartic acid (00:11:05)
[INFO] Auto_mut: Mutating residue number 796 from chain A (phenylalanine) into arginine (00:16:54)
[INFO] Auto_mut: Effect of mutation residue number 796 from chain A (phenylalanine) into
glutamic acid: Energy difference: 0.1011 kcal/mol, Difference in average
score from the base case: -0.0068 (00:22:33)
[INFO] Auto_mut: Effect of mutation residue number 796 from chain A (phenylalanine) into
lysine: Energy difference: -0.0112 kcal/mol, Difference in average score
from the base case: -0.0064 (00:22:33)
[INFO] Auto_mut: Effect of mutation residue number 796 from chain A (phenylalanine) into
aspartic acid: Energy difference: 0.0698 kcal/mol, Difference in average
score from the base case: -0.0067 (00:22:33)
[INFO] Auto_mut: Effect of mutation residue number 796 from chain A (phenylalanine) into
arginine: Energy difference: 0.0459 kcal/mol, Difference in average score
from the base case: -0.0069 (00:22:33)
[INFO] Main: Simulation completed successfully. (00:22:38)
|
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 | 1.1489 | |
| 2 | M | A | 0.5587 | |
| 3 | D | A | -1.3184 | |
| 4 | G | A | -1.6590 | |
| 5 | P | A | -1.9543 | |
| 6 | R | A | -2.4446 | |
| 7 | S | A | -1.6968 | |
| 8 | D | A | -1.8772 | |
| 9 | V | A | -0.0428 | |
| 10 | G | A | -0.7140 | |
| 11 | R | A | -1.4179 | |
| 12 | W | A | -0.1744 | |
| 13 | G | A | -0.8288 | |
| 14 | G | A | -1.3285 | |
| 15 | N | A | -1.4689 | |
| 16 | P | A | -0.5417 | |
| 17 | L | A | 0.4419 | |
| 18 | Q | A | -0.8421 | |
| 19 | P | A | -0.6595 | |
| 20 | P | A | -0.5659 | |
| 21 | T | A | -0.5289 | |
| 22 | T | A | -0.4002 | |
| 23 | P | A | -0.7244 | |
| 24 | S | A | -0.9141 | |
| 25 | P | A | -1.5837 | |
| 26 | E | A | -2.5814 | |
| 27 | P | A | -2.3201 | |
| 28 | E | A | -2.9710 | |
| 29 | P | A | -2.5275 | |
| 30 | E | A | -2.9417 | |
| 31 | P | A | -2.5786 | |
| 32 | D | A | -2.9639 | |
| 33 | G | A | -2.3559 | |
| 34 | R | A | -3.1990 | |
| 35 | S | A | -2.6189 | |
| 36 | R | A | -3.4465 | |
| 37 | R | A | -3.3700 | |
| 38 | G | A | -2.3759 | |
| 39 | G | A | -2.0718 | |
| 40 | G | A | -1.6723 | |
| 41 | R | A | -1.7318 | |
| 42 | S | A | 0.0654 | |
| 43 | F | A | 1.6291 | |
| 44 | W | A | 1.4110 | |
| 45 | A | A | 0.1915 | |
| 46 | R | A | -1.2683 | |
| 47 | C | A | -0.6400 | |
| 48 | C | A | 0.0000 | |
| 49 | G | A | -0.5885 | |
| 50 | C | A | -0.0714 | |
| 51 | C | A | -0.4019 | |
| 52 | S | A | -0.8564 | |
| 53 | C | A | -0.5341 | |
| 54 | R | A | -2.2643 | |
| 55 | N | A | -2.6289 | |
| 56 | A | A | -1.8044 | |
| 57 | A | A | -2.2575 | |
| 58 | D | A | -3.4380 | |
| 59 | D | A | -3.4317 | |
| 60 | D | A | -2.7370 | |
| 61 | W | A | -0.9684 | |
| 62 | G | A | -1.2216 | |
| 63 | P | A | -1.3573 | |
| 64 | E | A | -2.3123 | |
| 65 | P | A | -1.8691 | |
| 66 | S | A | -1.9604 | |
| 67 | D | A | -2.7619 | |
| 68 | S | A | -2.1641 | |
| 69 | R | A | -3.0219 | |
| 70 | G | A | -2.7176 | |
| 71 | R | A | -2.7236 | |
| 72 | G | A | -1.6134 | |
| 73 | S | A | -0.9821 | |
| 74 | S | A | -0.6097 | |
| 75 | S | A | -0.6026 | |
| 76 | G | A | -1.0402 | |
| 77 | T | A | -1.6283 | |
| 78 | R | A | -2.9204 | |
| 79 | R | A | -2.9881 | |
| 80 | P | A | -1.9700 | |
| 81 | G | A | -1.4500 | |
| 82 | S | A | -1.4735 | |
| 83 | R | A | -2.5432 | |
| 84 | G | A | -2.1208 | |
| 85 | S | A | -2.0025 | |
| 86 | D | A | -3.1039 | |
| 87 | S | A | -2.6614 | |
| 88 | R | A | -3.2102 | |
| 89 | R | A | -2.6828 | |
| 90 | P | A | -1.1851 | |
| 91 | V | A | 0.1433 | |
| 92 | S | A | -0.7607 | |
| 93 | R | A | -1.8680 | |
| 94 | G | A | -1.1932 | |
| 95 | S | A | -1.0913 | |
| 96 | G | A | -0.5206 | |
| 97 | V | A | 0.8114 | |
| 98 | N | A | -0.7926 | |
| 99 | A | A | -0.2801 | |
| 100 | A | A | -0.9244 | |
| 101 | G | A | -1.7516 | |
| 102 | D | A | -2.1134 | |
| 103 | G | A | -1.5056 | |
| 104 | T | A | -0.7184 | |
| 105 | I | A | -0.1002 | |
| 106 | R | A | -2.1378 | |
| 107 | E | A | -2.4100 | |
| 108 | G | A | -1.6652 | |
| 109 | M | A | 0.0000 | |
| 110 | L | A | 0.0000 | |
| 111 | V | A | -0.9265 | |
| 112 | V | A | 0.0000 | |
| 113 | N | A | -1.2412 | |
| 114 | G | A | -0.6721 | |
| 115 | V | A | -0.6826 | |
| 116 | D | A | -1.0417 | |
| 117 | L | A | 0.0000 | |
| 118 | L | A | -0.6072 | |
| 119 | S | A | -1.7681 | |
| 120 | S | A | -1.8592 | |
| 121 | R | A | -2.7841 | |
| 122 | S | A | -1.8370 | |
| 123 | D | A | -2.2359 | |
| 124 | Q | A | -2.7637 | |
| 125 | N | A | 0.0000 | |
| 126 | R | A | 0.0000 | |
| 127 | R | A | -3.8887 | |
| 128 | E | A | -3.3543 | |
| 129 | H | A | 0.0000 | |
| 130 | H | A | -2.0293 | |
| 131 | T | A | 0.0000 | |
| 132 | D | A | -2.8371 | |
| 133 | E | A | -1.3547 | |
| 134 | Y | A | 0.0000 | |
| 135 | E | A | -1.4285 | |
| 136 | Y | A | 0.0000 | |
| 137 | D | A | -2.7525 | |
| 138 | E | A | -1.9622 | |
| 139 | L | A | 0.0000 | |
| 140 | I | A | 0.0000 | |
| 141 | V | A | 0.0000 | |
| 142 | R | A | 0.0000 | |
| 143 | R | A | 0.0000 | |
| 144 | G | A | -1.1235 | |
| 145 | Q | A | -1.1689 | |
| 146 | P | A | -1.0585 | |
| 147 | F | A | 0.0000 | |
| 148 | H | A | -0.8630 | |
| 149 | M | A | 0.0000 | |
| 150 | L | A | -0.2857 | |
| 151 | L | A | 0.0000 | |
| 152 | L | A | -0.7211 | |
| 153 | L | A | 0.0000 | |
| 154 | S | A | -1.1266 | |
| 155 | R | A | -1.3107 | |
| 156 | T | A | -1.3291 | |
| 157 | Y | A | -1.5306 | |
| 158 | E | A | -2.1809 | |
| 159 | S | A | -1.4878 | |
| 160 | S | A | -1.6832 | |
| 161 | D | A | 0.0000 | |
| 162 | R | A | -3.0488 | |
| 163 | I | A | 0.0000 | |
| 164 | T | A | 0.0000 | |
| 165 | L | A | 0.0000 | |
| 166 | E | A | 0.0000 | |
| 167 | L | A | 0.0000 | |
| 168 | L | A | -0.3696 | |
| 169 | I | A | 0.0000 | |
| 170 | G | A | -1.4844 | |
| 171 | N | A | -2.0761 | |
| 172 | N | A | -2.3459 | |
| 173 | P | A | -1.7805 | |
| 174 | E | A | -2.0401 | |
| 175 | V | A | 0.2706 | |
| 176 | G | A | -1.0425 | |
| 177 | K | A | -2.0854 | |
| 178 | G | A | -1.0098 | |
| 179 | T | A | 0.0000 | |
| 180 | H | A | -0.4380 | |
| 181 | V | A | 0.4494 | |
| 182 | I | A | 0.9449 | |
| 183 | I | A | 0.0000 | |
| 184 | P | A | -1.1193 | |
| 185 | V | A | -1.2210 | |
| 186 | G | A | -1.7212 | |
| 187 | K | A | -2.5170 | |
| 188 | G | A | -1.8297 | |
| 189 | G | A | -1.3766 | |
| 190 | S | A | -0.9570 | |
| 191 | G | A | -1.0011 | |
| 192 | G | A | -1.0297 | |
| 193 | W | A | -0.6536 | |
| 194 | K | A | -1.5814 | |
| 195 | A | A | 0.0000 | |
| 196 | Q | A | -1.3432 | |
| 197 | V | A | -0.0499 | |
| 198 | V | A | 0.1943 | |
| 199 | K | A | -1.1720 | |
| 200 | A | A | -1.0532 | |
| 201 | S | A | -1.2662 | |
| 202 | G | A | -1.4653 | |
| 203 | Q | A | -1.8873 | |
| 204 | N | A | -1.4309 | |
| 205 | L | A | 0.0000 | |
| 206 | N | A | -0.6260 | |
| 207 | L | A | 0.0000 | |
| 208 | R | A | -1.3166 | |
| 209 | V | A | 0.0000 | |
| 210 | H | A | -1.0427 | |
| 211 | T | A | 0.0000 | |
| 212 | S | A | 0.0000 | |
| 213 | P | A | -1.4258 | |
| 214 | N | A | -1.7691 | |
| 215 | A | A | 0.0000 | |
| 216 | I | A | 0.0000 | |
| 217 | I | A | 0.0000 | |
| 218 | G | A | 0.0000 | |
| 219 | K | A | -0.7113 | |
| 220 | F | A | 0.0000 | |
| 221 | Q | A | -0.7798 | |
| 222 | F | A | 0.0000 | |
| 223 | T | A | 0.0000 | |
| 224 | V | A | 0.0000 | |
| 225 | R | A | -2.2811 | |
| 226 | T | A | 0.0000 | |
| 227 | Q | A | -2.8457 | |
| 228 | S | A | -2.3990 | |
| 229 | D | A | -2.5062 | |
| 230 | A | A | -1.9744 | |
| 231 | G | A | -2.0850 | |
| 232 | E | A | -3.0681 | |
| 233 | F | A | -1.6573 | |
| 234 | Q | A | -1.6993 | |
| 235 | L | A | -0.5810 | |
| 236 | P | A | -0.0111 | |
| 237 | F | A | 0.4286 | |
| 238 | D | A | -0.6627 | |
| 239 | P | A | -1.2850 | |
| 240 | R | A | -2.5886 | |
| 241 | N | A | -1.6135 | |
| 242 | E | A | -1.3799 | |
| 243 | I | A | 0.0000 | |
| 244 | Y | A | 0.0000 | |
| 245 | I | A | 0.0000 | |
| 246 | L | A | 0.0000 | |
| 247 | F | A | 0.0000 | |
| 248 | N | A | 0.0000 | |
| 249 | P | A | 0.0000 | |
| 250 | W | A | -0.8349 | |
| 251 | C | A | 0.0000 | |
| 252 | P | A | -1.3031 | |
| 253 | E | A | -2.0822 | |
| 254 | D | A | 0.0000 | |
| 255 | I | A | -1.0218 | |
| 256 | V | A | 0.0000 | |
| 257 | Y | A | -0.8278 | |
| 258 | V | A | 0.0000 | |
| 259 | D | A | -2.5406 | |
| 260 | H | A | -2.5915 | |
| 261 | E | A | -2.8008 | |
| 262 | D | A | -2.5620 | |
| 263 | W | A | -1.6311 | |
| 264 | R | A | -1.6728 | |
| 265 | Q | A | -1.6347 | |
| 266 | E | A | 0.0000 | |
| 267 | Y | A | 0.0000 | |
| 268 | V | A | 0.0000 | |
| 269 | L | A | -0.4489 | |
| 270 | N | A | -0.3981 | |
| 271 | E | A | -0.4153 | |
| 272 | S | A | 0.0000 | |
| 273 | G | A | 0.0000 | |
| 274 | R | A | -1.0414 | |
| 275 | I | A | 0.0000 | |
| 276 | Y | A | 0.0000 | |
| 277 | Y | A | -0.3763 | |
| 278 | G | A | 0.0000 | |
| 279 | T | A | 0.0000 | |
| 280 | E | A | -0.7424 | |
| 281 | A | A | -0.7113 | |
| 282 | Q | A | -0.7191 | |
| 283 | I | A | -0.5935 | |
| 284 | G | A | 0.0000 | |
| 285 | E | A | -1.6606 | |
| 286 | R | A | 0.0000 | |
| 287 | T | A | 0.0000 | |
| 288 | W | A | 0.0000 | |
| 289 | N | A | 0.0000 | |
| 290 | Y | A | 0.0000 | |
| 291 | G | A | 0.0000 | |
| 292 | Q | A | 0.0000 | |
| 293 | F | A | 0.0000 | |
| 294 | D | A | 0.0000 | |
| 295 | H | A | -1.3214 | |
| 296 | G | A | 0.0000 | |
| 297 | V | A | 0.0000 | |
| 298 | L | A | 0.0000 | |
| 299 | D | A | -0.6230 | |
| 300 | A | A | 0.0000 | |
| 301 | C | A | 0.0000 | |
| 302 | L | A | 0.0000 | |
| 303 | Y | A | -0.5897 | |
| 304 | I | A | 0.0000 | |
| 305 | L | A | 0.0000 | |
| 306 | D | A | -1.2591 | |
| 307 | R | A | -2.0819 | |
| 308 | R | A | -1.8324 | |
| 309 | G | A | -1.3303 | |
| 310 | M | A | 0.0000 | |
| 311 | P | A | -0.7247 | |
| 312 | Y | A | -0.7656 | |
| 313 | G | A | -1.1474 | |
| 314 | G | A | -0.9480 | |
| 315 | R | A | 0.0000 | |
| 316 | G | A | -0.9485 | |
| 317 | D | A | -1.2376 | |
| 318 | P | A | 0.0000 | |
| 319 | V | A | 0.0000 | |
| 320 | N | A | -1.3787 | |
| 321 | V | A | 0.0000 | |
| 322 | S | A | 0.0000 | |
| 323 | R | A | -0.5058 | |
| 324 | V | A | -0.3596 | |
| 325 | I | A | 0.0000 | |
| 326 | S | A | 0.0000 | |
| 327 | A | A | 0.0000 | |
| 328 | M | A | 0.0000 | |
| 329 | V | A | 0.0000 | |
| 330 | N | A | 0.0000 | |
| 331 | S | A | -0.4147 | |
| 332 | L | A | -0.6193 | |
| 333 | D | A | -1.1077 | |
| 334 | D | A | -1.5860 | |
| 335 | N | A | -1.5913 | |
| 336 | G | A | 0.0000 | |
| 337 | V | A | 0.0000 | |
| 338 | L | A | 0.0000 | |
| 339 | I | A | 0.2491 | |
| 340 | G | A | 0.0412 | |
| 341 | N | A | -0.4647 | |
| 342 | W | A | 0.0000 | |
| 343 | S | A | -0.9250 | |
| 344 | G | A | -1.1892 | |
| 345 | D | A | -2.3569 | |
| 346 | Y | A | -1.6818 | |
| 347 | S | A | -1.7352 | |
| 348 | R | A | -2.3277 | |
| 349 | G | A | -1.3942 | |
| 350 | T | A | -0.7860 | |
| 351 | N | A | -0.8681 | |
| 352 | P | A | 0.0000 | |
| 353 | S | A | 0.0000 | |
| 354 | A | A | 0.0000 | |
| 355 | W | A | 0.0000 | |
| 356 | V | A | 0.0000 | |
| 357 | G | A | 0.0000 | |
| 358 | S | A | 0.0000 | |
| 359 | V | A | 0.0000 | |
| 360 | E | A | -0.8452 | |
| 361 | I | A | 0.0000 | |
| 362 | L | A | 0.0000 | |
| 363 | L | A | -0.7806 | |
| 364 | S | A | -0.6182 | |
| 365 | Y | A | 0.0000 | |
| 366 | L | A | 0.0000 | |
| 367 | R | A | -1.3581 | |
| 368 | T | A | -0.4257 | |
| 369 | G | A | -0.2052 | |
| 370 | Y | A | 0.7232 | |
| 371 | S | A | 0.0000 | |
| 372 | V | A | 0.0000 | |
| 373 | P | A | -0.2340 | |
| 374 | Y | A | -0.1789 | |
| 375 | G | A | 0.0000 | |
| 376 | Q | A | 0.0000 | |
| 377 | C | A | 0.0000 | |
| 378 | W | A | 0.0000 | |
| 379 | V | A | 0.0000 | |
| 380 | F | A | 0.0000 | |
| 381 | A | A | 0.0000 | |
| 382 | G | A | 0.0000 | |
| 383 | V | A | 0.0000 | |
| 384 | T | A | 0.0000 | |
| 385 | T | A | 0.0000 | |
| 386 | T | A | 0.0000 | |
| 387 | V | A | 0.0000 | |
| 388 | L | A | 0.0000 | |
| 389 | R | A | 0.0000 | |
| 390 | C | A | 0.0000 | |
| 391 | L | A | 0.0000 | |
| 392 | G | A | 0.0000 | |
| 393 | L | A | 0.0000 | |
| 394 | A | A | 0.0000 | |
| 395 | T | A | 0.0000 | |
| 396 | R | A | 0.0000 | |
| 397 | T | A | 0.0000 | |
| 398 | V | A | 0.0000 | |
| 399 | T | A | 0.0000 | |
| 400 | N | A | 0.0000 | |
| 401 | F | A | 0.0000 | |
| 402 | N | A | -0.2465 | |
| 403 | S | A | 0.0000 | |
| 404 | A | A | 0.0000 | |
| 405 | H | A | 0.0000 | |
| 406 | D | A | 0.0000 | |
| 407 | T | A | -1.1940 | |
| 408 | D | A | -2.0314 | |
| 409 | T | A | -1.1369 | |
| 410 | S | A | 0.0000 | |
| 411 | L | A | 0.0000 | |
| 412 | T | A | 0.0000 | |
| 413 | M | A | 0.0000 | |
| 414 | D | A | -0.2188 | |
| 415 | I | A | 0.0000 | |
| 416 | Y | A | -0.4148 | |
| 417 | F | A | 0.0000 | |
| 418 | D | A | 0.0000 | |
| 419 | E | A | -2.5948 | |
| 420 | N | A | -2.4272 | |
| 421 | M | A | 0.0000 | |
| 422 | K | A | -2.0146 | |
| 423 | P | A | -1.3813 | |
| 424 | L | A | 0.0000 | |
| 425 | E | A | -2.4952 | |
| 426 | H | A | -1.8047 | |
| 427 | L | A | -0.8239 | |
| 428 | N | A | -1.3763 | |
| 429 | H | A | -1.7474 | |
| 430 | D | A | -1.0388 | |
| 431 | S | A | -0.3811 | |
| 432 | V | A | 0.0772 | |
| 433 | W | A | 0.0000 | |
| 434 | N | A | 0.0000 | |
| 435 | F | A | 0.0000 | |
| 436 | H | A | 0.0000 | |
| 437 | V | A | 0.0000 | |
| 438 | W | A | 0.0000 | |
| 439 | N | A | 0.0000 | |
| 440 | D | A | 0.0000 | |
| 441 | C | A | 0.0000 | |
| 442 | W | A | -0.1561 | |
| 443 | M | A | 0.0000 | |
| 444 | K | A | -1.9757 | |
| 445 | R | A | 0.0000 | |
| 446 | P | A | -1.3509 | |
| 447 | D | A | -1.6368 | |
| 448 | L | A | -1.1863 | |
| 449 | P | A | -0.7737 | |
| 450 | S | A | -1.0474 | |
| 451 | G | A | -1.2767 | |
| 452 | F | A | 0.0000 | |
| 453 | D | A | -2.0102 | |
| 454 | G | A | 0.0000 | |
| 455 | W | A | 0.0000 | |
| 456 | Q | A | 0.0000 | |
| 457 | V | A | 0.0000 | |
| 458 | V | A | 0.0000 | |
| 459 | D | A | 0.0000 | |
| 460 | A | A | 0.0000 | |
| 461 | T | A | 0.0000 | |
| 462 | P | A | 0.0000 | |
| 463 | Q | A | 0.0000 | |
| 464 | E | A | -0.3524 | |
| 465 | T | A | -0.2286 | |
| 466 | S | A | -0.1879 | |
| 467 | S | A | -0.3588 | |
| 468 | G | A | -0.4653 | |
| 469 | I | A | 0.0283 | |
| 470 | F | A | 0.0240 | |
| 471 | C | A | 0.0000 | |
| 472 | C | A | 0.0000 | |
| 473 | G | A | 0.0000 | |
| 474 | P | A | 0.0000 | |
| 475 | C | A | 0.0000 | |
| 476 | S | A | 0.0000 | |
| 477 | V | A | 0.0000 | |
| 478 | E | A | -1.3652 | |
| 479 | S | A | 0.0000 | |
| 480 | I | A | 0.0000 | |
| 481 | K | A | -0.5863 | |
| 482 | N | A | -1.0611 | |
| 483 | G | A | 0.0000 | |
| 484 | L | A | 0.1033 | |
| 485 | V | A | 0.0000 | |
| 486 | Y | A | 0.9544 | |
| 487 | M | A | 0.2266 | |
| 488 | K | A | -0.9003 | |
| 489 | Y | A | -0.4272 | |
| 490 | D | A | -0.3720 | |
| 491 | T | A | 0.0000 | |
| 492 | P | A | -0.0137 | |
| 493 | F | A | -0.1700 | |
| 494 | I | A | 0.0000 | |
| 495 | F | A | 0.0000 | |
| 496 | A | A | 0.0000 | |
| 497 | E | A | 0.0000 | |
| 498 | V | A | 0.0000 | |
| 499 | N | A | 0.0000 | |
| 500 | S | A | 0.0000 | |
| 501 | D | A | 0.0000 | |
| 502 | K | A | 0.0000 | |
| 503 | V | A | 0.0000 | |
| 504 | Y | A | 0.0000 | |
| 505 | W | A | 0.2323 | |
| 506 | Q | A | -0.9812 | |
| 507 | R | A | -2.0306 | |
| 508 | Q | A | -2.7843 | |
| 509 | D | A | -3.4235 | |
| 510 | D | A | -3.1437 | |
| 511 | G | A | -2.3278 | |
| 512 | S | A | -1.4463 | |
| 513 | F | A | -0.6918 | |
| 514 | K | A | -0.4844 | |
| 515 | I | A | 0.0962 | |
| 516 | V | A | 0.2590 | |
| 517 | Y | A | -0.0829 | |
| 518 | V | A | -0.2509 | |
| 519 | E | A | -0.9771 | |
| 520 | E | A | -1.9533 | |
| 521 | K | A | -2.5885 | |
| 522 | A | A | -1.1725 | |
| 523 | I | A | 0.0000 | |
| 524 | G | A | 0.0000 | |
| 525 | T | A | -0.7286 | |
| 526 | L | A | -0.1968 | |
| 527 | I | A | 0.0000 | |
| 528 | V | A | 0.0000 | |
| 529 | T | A | 0.0000 | |
| 530 | K | A | -1.2473 | |
| 531 | A | A | 0.0000 | |
| 532 | I | A | -0.4897 | |
| 533 | S | A | -0.5417 | |
| 534 | S | A | -0.6680 | |
| 535 | N | A | -1.4532 | |
| 536 | M | A | -0.6724 | |
| 537 | R | A | -2.1681 | |
| 538 | E | A | -2.4219 | |
| 539 | D | A | -2.0928 | |
| 540 | I | A | 0.0000 | |
| 541 | T | A | 0.1216 | |
| 542 | Y | A | 0.9158 | |
| 543 | L | A | 0.5037 | |
| 544 | Y | A | 0.0000 | |
| 545 | K | A | 0.0000 | |
| 546 | H | A | -0.9731 | |
| 547 | P | A | -1.2900 | |
| 548 | E | A | -2.8222 | |
| 549 | G | A | -2.2936 | |
| 550 | S | A | -2.0731 | |
| 551 | D | A | -2.7625 | |
| 552 | A | A | -2.1835 | |
| 553 | E | A | 0.0000 | |
| 554 | R | A | -2.7100 | |
| 555 | K | A | -2.9747 | |
| 556 | A | A | 0.0000 | |
| 557 | V | A | 0.0000 | |
| 558 | E | A | -2.5063 | |
| 559 | T | A | -1.5234 | |
| 560 | A | A | 0.0000 | |
| 561 | A | A | 0.0000 | |
| 562 | A | A | -1.2678 | |
| 563 | H | A | -1.0979 | |
| 564 | G | A | -1.2354 | |
| 565 | S | A | -1.1889 | |
| 566 | K | A | -1.2935 | |
| 567 | P | A | -1.4577 | |
| 568 | N | A | -1.7354 | |
| 569 | V | A | -1.0715 | |
| 570 | Y | A | -1.2534 | |
| 571 | A | A | -1.3965 | |
| 572 | N | A | -2.2986 | |
| 573 | R | A | -2.4640 | |
| 574 | G | A | -1.8622 | |
| 575 | S | A | -1.4509 | |
| 576 | A | A | -1.3605 | |
| 577 | E | A | -2.1517 | |
| 578 | D | A | -1.6662 | |
| 579 | V | A | 0.0000 | |
| 580 | A | A | -0.6214 | |
| 581 | M | A | -0.4756 | |
| 582 | Q | A | -1.5729 | |
| 583 | V | A | -1.5063 | |
| 584 | E | A | -2.3779 | |
| 585 | A | A | -1.7551 | |
| 586 | Q | A | -2.4065 | |
| 587 | D | A | -2.6014 | |
| 588 | A | A | 0.0000 | |
| 589 | V | A | -1.1824 | |
| 590 | M | A | 0.0000 | |
| 591 | G | A | -1.2326 | |
| 592 | Q | A | -2.3700 | |
| 593 | D | A | -2.6526 | |
| 594 | L | A | 0.0000 | |
| 595 | M | A | -1.0822 | |
| 596 | V | A | 0.0000 | |
| 597 | S | A | 0.0000 | |
| 598 | V | A | 0.0000 | |
| 599 | M | A | -1.3441 | |
| 600 | L | A | 0.0000 | |
| 601 | I | A | -0.5881 | |
| 602 | N | A | 0.0000 | |
| 603 | H | A | -1.7355 | |
| 604 | S | A | -1.4508 | |
| 605 | S | A | -1.0958 | |
| 606 | S | A | -1.6046 | |
| 607 | R | A | -2.8055 | |
| 608 | R | A | -2.6045 | |
| 609 | T | A | 0.0000 | |
| 610 | V | A | 0.0000 | |
| 611 | K | A | -2.7871 | |
| 612 | L | A | 0.0000 | |
| 613 | H | A | -2.1794 | |
| 614 | L | A | 0.0000 | |
| 615 | Y | A | 0.0000 | |
| 616 | L | A | 0.0000 | |
| 617 | S | A | 0.0000 | |
| 618 | V | A | 0.0000 | |
| 619 | T | A | 0.0000 | |
| 620 | F | A | 0.1838 | |
| 621 | Y | A | 0.0000 | |
| 622 | T | A | 0.0000 | |
| 623 | G | A | 0.0353 | |
| 624 | V | A | -0.5567 | |
| 625 | S | A | -0.4014 | |
| 626 | G | A | -0.3793 | |
| 627 | T | A | 0.0792 | |
| 628 | I | A | 0.5547 | |
| 629 | F | A | 0.0254 | |
| 630 | K | A | -0.8286 | |
| 631 | E | A | -2.0777 | |
| 632 | T | A | -2.0037 | |
| 633 | K | A | -3.0543 | |
| 634 | K | A | -2.7533 | |
| 635 | E | A | -3.3421 | |
| 636 | V | A | 0.0000 | |
| 637 | E | A | -2.9263 | |
| 638 | L | A | 0.0000 | |
| 639 | A | A | -1.6275 | |
| 640 | P | A | -1.5486 | |
| 641 | G | A | -1.1838 | |
| 642 | A | A | -1.1090 | |
| 643 | S | A | -1.2097 | |
| 644 | D | A | -1.9599 | |
| 645 | R | A | -2.1887 | |
| 646 | V | A | 0.0000 | |
| 647 | T | A | -0.7465 | |
| 648 | M | A | 0.0000 | |
| 649 | P | A | -0.6342 | |
| 650 | V | A | 0.0000 | |
| 651 | A | A | -1.7323 | |
| 652 | Y | A | -1.9730 | |
| 653 | K | A | -2.5477 | |
| 654 | E | A | -1.7777 | |
| 655 | Y | A | 0.0000 | |
| 656 | R | A | -1.3336 | |
| 657 | P | A | -0.8810 | |
| 658 | H | A | -0.5013 | |
| 659 | L | A | -0.0741 | |
| 660 | V | A | -0.0678 | |
| 661 | D | A | -0.4065 | |
| 662 | Q | A | -0.3315 | |
| 663 | G | A | 0.0000 | |
| 664 | A | A | 0.0000 | |
| 665 | M | A | 0.0000 | |
| 666 | L | A | 0.0000 | |
| 667 | L | A | 0.0000 | |
| 668 | N | A | 0.0000 | |
| 669 | V | A | 0.0000 | |
| 670 | S | A | 0.0000 | |
| 671 | G | A | 0.0000 | |
| 672 | H | A | -1.8968 | |
| 673 | V | A | 0.0000 | |
| 674 | K | A | -2.7756 | |
| 675 | E | A | -2.6062 | |
| 676 | S | A | -1.8011 | |
| 677 | G | A | -1.7432 | |
| 678 | Q | A | 0.0000 | |
| 679 | V | A | -0.6359 | |
| 680 | L | A | 0.0000 | |
| 681 | A | A | 0.0000 | |
| 682 | K | A | -0.6725 | |
| 683 | Q | A | -0.4973 | |
| 684 | H | A | -0.7652 | |
| 685 | T | A | -0.4613 | |
| 686 | F | A | 0.0000 | |
| 687 | R | A | -0.8616 | |
| 688 | L | A | 0.0000 | |
| 689 | R | A | -1.8086 | |
| 690 | T | A | -1.0374 | |
| 691 | P | A | -1.4968 | |
| 692 | D | A | -2.1719 | |
| 693 | L | A | 0.0000 | |
| 694 | S | A | -0.6744 | |
| 695 | L | A | 0.0000 | |
| 696 | T | A | -0.1215 | |
| 697 | L | A | 0.0069 | |
| 698 | L | A | 0.2072 | |
| 699 | G | A | -0.2567 | |
| 700 | A | A | -0.5542 | |
| 701 | A | A | 0.0000 | |
| 702 | V | A | -0.3343 | |
| 703 | V | A | 0.2638 | |
| 704 | G | A | -0.4648 | |
| 705 | Q | A | -1.4030 | |
| 706 | E | A | -2.3046 | |
| 707 | C | A | 0.0000 | |
| 708 | E | A | -1.8312 | |
| 709 | V | A | 0.0000 | |
| 710 | Q | A | -0.9545 | |
| 711 | I | A | 0.0000 | |
| 712 | V | A | -0.4980 | |
| 713 | F | A | 0.0000 | |
| 714 | K | A | -2.6516 | |
| 715 | N | A | 0.0000 | |
| 716 | P | A | -1.2356 | |
| 717 | L | A | 0.0000 | |
| 718 | P | A | -0.7037 | |
| 719 | V | A | 0.0582 | |
| 720 | T | A | -0.8793 | |
| 721 | L | A | 0.0000 | |
| 722 | T | A | -1.4287 | |
| 723 | N | A | -2.1595 | |
| 724 | V | A | 0.0000 | |
| 725 | V | A | -0.5347 | |
| 726 | F | A | 0.0000 | |
| 727 | R | A | -0.0258 | |
| 728 | L | A | 0.0000 | |
| 729 | E | A | 0.0000 | |
| 730 | G | A | 0.0000 | |
| 731 | S | A | 0.0000 | |
| 732 | G | A | 0.0000 | |
| 733 | L | A | 0.0000 | |
| 734 | Q | A | -0.5178 | |
| 735 | R | A | -1.3728 | |
| 736 | P | A | -0.8844 | |
| 737 | K | A | -0.3909 | |
| 738 | I | A | 0.7105 | |
| 739 | L | A | 0.2043 | |
| 740 | N | A | -1.1359 | |
| 741 | V | A | -0.5673 | |
| 742 | G | A | -1.6299 | |
| 743 | D | A | -2.3747 | |
| 744 | I | A | 0.0000 | |
| 745 | G | A | -1.5460 | |
| 746 | G | A | -1.5708 | |
| 747 | N | A | -2.4576 | |
| 748 | E | A | -2.5774 | |
| 749 | T | A | -1.6583 | |
| 750 | V | A | -0.5042 | |
| 751 | T | A | -0.4204 | |
| 752 | L | A | -0.5989 | |
| 753 | R | A | -2.0839 | |
| 754 | Q | A | -1.4672 | |
| 755 | S | A | -1.4054 | |
| 756 | F | A | 0.0000 | |
| 757 | V | A | -0.0963 | |
| 758 | P | A | 0.0000 | |
| 759 | V | A | 1.7852 | |
| 760 | R | A | 0.0000 | |
| 761 | P | A | -0.2136 | |
| 762 | G | A | -0.9020 | |
| 763 | P | A | -1.5137 | |
| 764 | R | A | -1.3212 | |
| 765 | Q | A | -1.0336 | |
| 766 | L | A | 0.0000 | |
| 767 | I | A | 0.0000 | |
| 768 | A | A | 0.0000 | |
| 769 | S | A | 0.0000 | |
| 770 | L | A | 0.0000 | |
| 771 | D | A | -0.7407 | |
| 772 | S | A | 0.0000 | |
| 773 | P | A | -1.0232 | |
| 774 | Q | A | -0.4927 | |
| 775 | L | A | 0.0000 | |
| 776 | S | A | -0.3275 | |
| 777 | Q | A | 0.0000 | |
| 778 | V | A | 0.0000 | |
| 779 | H | A | -0.9079 | |
| 780 | G | A | -0.5029 | |
| 781 | V | A | 0.0230 | |
| 782 | I | A | -0.3227 | |
| 783 | Q | A | -1.5569 | |
| 784 | V | A | 0.0000 | |
| 785 | D | A | -2.2794 | |
| 786 | V | A | 0.0000 | |
| 787 | A | A | -0.6087 | |
| 788 | P | A | -0.7694 | |
| 789 | A | A | -0.8103 | |
| 790 | P | A | -1.1810 | |
| 791 | G | A | -1.4053 | |
| 792 | D | A | -1.8812 | |
| 793 | G | A | -1.1732 | |
| 794 | G | A | 0.0990 | |
| 795 | F | A | 1.8832 | |
| 796 | F | A | 1.9824 | |
| 797 | S | A | 0.2791 | |
| 798 | D | A | -1.3779 | |
| 799 | A | A | -1.2050 | |
| 800 | G | A | -1.6049 | |
| 801 | G | A | -1.9209 | |
| 802 | D | A | -2.3041 | |
| 803 | S | A | -1.4158 | |
| 804 | H | A | -1.2417 | |
| 805 | L | A | 0.0647 | |
| 806 | G | A | -0.8763 | |
| 807 | E | A | -1.6535 | |
| 808 | T | A | -0.4950 | |
| 809 | I | A | -0.1302 | |
| 810 | P | A | -0.0371 | |
| 811 | M | A | 0.3075 | |
| 812 | A | A | -0.5192 | |
| 813 | S | A | -1.0242 | |
| 814 | R | A | -2.1325 | |
| 815 | G | A | -1.6292 | |
| 816 | G | A | -1.1993 | |
| 817 | A | A | -0.5767 |
Automated mutations analysis
In the automated mutations mode, the server selects aggregation prone resides
and each selected residue is mutated to glutamic acid, lysine, aspartic acid and arginine.
The table below shows 2 best scored mutants for each mutated residue. Protein variants
are ordered according to the mutation effect they had on protein stability
(energetic effect) together with the difference in the average per-residue aggregation score
between the wild type and the mutant (in the table green values indicate a positive change,
grey are neutral, and orange/red mean destabilizing or more aggregation prone mutants).
Summary for all the mutants can be found in this
CSV file.
Mutant |
Energetic effect |
Score comparison |
|||
| FK796A | -0.0112 | -0.0064 | View | CSV | PDB |
| FR796A | 0.0459 | -0.0069 | View | CSV | PDB |
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