| Chain sequence(s) |
A: MEYREMEEEMGREKRREDPRERGDWFLFQDSKCVVKTEAGVVRVMRSLGGKIIDRPMHIGFITMQPKTLFIPQYLDSSLILFVRRGEARLGLVWKDELVERQLSTGDIFRIPAGSAFYLVNTGEEQRLRIICSIDPSESLGLHLFQPFYIGGGTYPTSVLAGFDSETLETAFNVSISEIKQIMTKQQGGPIVYTTDHAPSIWTKFLQLKEQDRLQHLKRIKESQRATHEENQEQATWLWRKLLGSIFRQATKENDGSPDSYNLYSRNPDFKNSYGWSVALDGSAYSPLKHSGIGIYYVNLSAGSMLAPHLNPTATEYGIVLRGSGRLQIVHPNGTSAMNARVKRGDVFCIPRYFAFCQIASRRGPFEFFGFTTSAHKSRPQFLVGANSLLHSLNGPELAAAFGASEKNVRRVIDAQHEAVILPAPSAAPPDLNNGHLEKKTEREQEIIKALASDMVMGFD
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 (00:07:02)
[INFO] Main: Simulation completed successfully. (00:07:05)
|
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 | -0.2014 | |
| 2 | E | A | -1.6045 | |
| 3 | Y | A | -0.7956 | |
| 4 | R | A | -2.9681 | |
| 5 | E | A | -3.5860 | |
| 6 | M | A | -2.3746 | |
| 7 | E | A | -3.4963 | |
| 8 | E | A | -4.3455 | |
| 9 | E | A | -3.7311 | |
| 10 | M | A | -2.1248 | |
| 11 | G | A | -3.1845 | |
| 12 | R | A | -4.2750 | |
| 13 | E | A | -4.5968 | |
| 14 | K | A | -5.0594 | |
| 15 | R | A | -5.1468 | |
| 16 | R | A | -4.6445 | |
| 17 | E | A | -4.6690 | |
| 18 | D | A | -3.4345 | |
| 19 | P | A | -3.5165 | |
| 20 | R | A | -3.9367 | |
| 21 | E | A | -4.2987 | |
| 22 | R | A | -3.7984 | |
| 23 | G | A | 0.0000 | |
| 24 | D | A | -2.7722 | |
| 25 | W | A | -1.5235 | |
| 26 | F | A | 0.0000 | |
| 27 | L | A | -0.7054 | |
| 28 | F | A | 0.0000 | |
| 29 | Q | A | -2.5270 | |
| 30 | D | A | -2.8507 | |
| 31 | S | A | -1.9237 | |
| 32 | K | A | -1.3788 | |
| 33 | C | A | -0.0698 | |
| 34 | V | A | 0.1212 | |
| 35 | V | A | 0.0000 | |
| 36 | K | A | -1.6952 | |
| 37 | T | A | -1.5628 | |
| 38 | E | A | -2.0742 | |
| 39 | A | A | 0.0000 | |
| 40 | G | A | -0.9298 | |
| 41 | V | A | -0.4412 | |
| 42 | V | A | 0.0000 | |
| 43 | R | A | -0.5863 | |
| 44 | V | A | 0.0000 | |
| 45 | M | A | -1.3925 | |
| 46 | R | A | -1.7934 | |
| 47 | S | A | 0.0000 | |
| 48 | L | A | -0.9917 | |
| 49 | G | A | -1.1984 | |
| 50 | G | A | -1.7661 | |
| 51 | K | A | -1.8303 | |
| 52 | I | A | -0.8998 | |
| 53 | I | A | 0.0000 | |
| 54 | D | A | -2.0395 | |
| 55 | R | A | -1.7093 | |
| 56 | P | A | -1.0260 | |
| 57 | M | A | 0.0000 | |
| 58 | H | A | 0.0000 | |
| 59 | I | A | 0.0000 | |
| 60 | G | A | 0.0000 | |
| 61 | F | A | -0.1208 | |
| 62 | I | A | 0.0000 | |
| 63 | T | A | 0.0000 | |
| 64 | M | A | 0.0000 | |
| 65 | Q | A | -1.7186 | |
| 66 | P | A | -2.0850 | |
| 67 | K | A | -1.5200 | |
| 68 | T | A | 0.0000 | |
| 69 | L | A | 0.4300 | |
| 70 | F | A | 0.0000 | |
| 71 | I | A | 0.0000 | |
| 72 | P | A | 0.4320 | |
| 73 | Q | A | 0.0000 | |
| 74 | Y | A | 0.5128 | |
| 75 | L | A | 0.0000 | |
| 76 | D | A | -0.2438 | |
| 77 | S | A | 0.0000 | |
| 78 | S | A | 0.0000 | |
| 79 | L | A | 0.0000 | |
| 80 | I | A | 0.0000 | |
| 81 | L | A | 0.0000 | |
| 82 | F | A | 0.0000 | |
| 83 | V | A | 0.0000 | |
| 84 | R | A | -2.0930 | |
| 85 | R | A | -3.1179 | |
| 86 | G | A | -2.8020 | |
| 87 | E | A | -2.6961 | |
| 88 | A | A | 0.0000 | |
| 89 | R | A | -2.1266 | |
| 90 | L | A | 0.0000 | |
| 91 | G | A | 0.0000 | |
| 92 | L | A | 0.0000 | |
| 93 | V | A | -0.2004 | |
| 94 | W | A | -1.2490 | |
| 95 | K | A | -2.5453 | |
| 96 | D | A | -2.5325 | |
| 97 | E | A | -1.4098 | |
| 98 | L | A | -0.0157 | |
| 99 | V | A | 0.0000 | |
| 100 | E | A | -2.1160 | |
| 101 | R | A | -2.1996 | |
| 102 | Q | A | -2.3034 | |
| 103 | L | A | 0.0000 | |
| 104 | S | A | -1.5043 | |
| 105 | T | A | -1.2863 | |
| 106 | G | A | 0.0000 | |
| 107 | D | A | 0.0000 | |
| 108 | I | A | 0.0000 | |
| 109 | F | A | 0.0000 | |
| 110 | R | A | -0.5341 | |
| 111 | I | A | 0.0000 | |
| 112 | P | A | -0.2181 | |
| 113 | A | A | -0.4737 | |
| 114 | G | A | -0.3794 | |
| 115 | S | A | -0.3185 | |
| 116 | A | A | 0.4465 | |
| 117 | F | A | 0.0000 | |
| 118 | Y | A | 0.1365 | |
| 119 | L | A | 0.0000 | |
| 120 | V | A | -0.2784 | |
| 121 | N | A | 0.0000 | |
| 122 | T | A | -1.7418 | |
| 123 | G | A | 0.0000 | |
| 124 | E | A | -3.5841 | |
| 125 | E | A | -3.4980 | |
| 126 | Q | A | -3.4186 | |
| 127 | R | A | -3.2381 | |
| 128 | L | A | 0.0000 | |
| 129 | R | A | -2.3512 | |
| 130 | I | A | 0.0000 | |
| 131 | I | A | 0.0000 | |
| 132 | C | A | 0.0000 | |
| 133 | S | A | 0.0000 | |
| 134 | I | A | 0.0000 | |
| 135 | D | A | -0.7015 | |
| 136 | P | A | -0.7835 | |
| 137 | S | A | -0.7950 | |
| 138 | E | A | -0.9917 | |
| 139 | S | A | -0.0329 | |
| 140 | L | A | 1.2650 | |
| 141 | G | A | 0.4940 | |
| 142 | L | A | 1.2945 | |
| 143 | H | A | -0.1356 | |
| 144 | L | A | 0.0000 | |
| 145 | F | A | -0.0239 | |
| 146 | Q | A | 0.1072 | |
| 147 | P | A | 0.2546 | |
| 148 | F | A | 0.8328 | |
| 149 | Y | A | 1.0737 | |
| 150 | I | A | 1.2416 | |
| 151 | G | A | 0.5716 | |
| 152 | G | A | 0.1448 | |
| 153 | G | A | 0.0000 | |
| 154 | T | A | -0.3427 | |
| 155 | Y | A | 0.2133 | |
| 156 | P | A | 0.0000 | |
| 157 | T | A | 0.4318 | |
| 158 | S | A | 0.0000 | |
| 159 | V | A | 1.2107 | |
| 160 | L | A | 0.9218 | |
| 161 | A | A | 0.2856 | |
| 162 | G | A | 0.2329 | |
| 163 | F | A | 0.5160 | |
| 164 | D | A | -1.7115 | |
| 165 | S | A | -1.5810 | |
| 166 | E | A | -2.2468 | |
| 167 | T | A | -1.2711 | |
| 168 | L | A | 0.0000 | |
| 169 | E | A | -1.4884 | |
| 170 | T | A | -1.0363 | |
| 171 | A | A | -0.4094 | |
| 172 | F | A | -0.0434 | |
| 173 | N | A | -1.2452 | |
| 174 | V | A | -0.4120 | |
| 175 | S | A | -0.8156 | |
| 176 | I | A | -0.9581 | |
| 177 | S | A | -1.3376 | |
| 178 | E | A | -2.1140 | |
| 179 | I | A | 0.0000 | |
| 180 | K | A | -2.2126 | |
| 181 | Q | A | -2.3185 | |
| 182 | I | A | -0.9203 | |
| 183 | M | A | -0.9107 | |
| 184 | T | A | -1.3322 | |
| 185 | K | A | -2.2050 | |
| 186 | Q | A | -1.4987 | |
| 187 | Q | A | -1.5027 | |
| 188 | G | A | -1.1664 | |
| 189 | G | A | 0.0000 | |
| 190 | P | A | 0.0000 | |
| 191 | I | A | 0.0000 | |
| 192 | V | A | 0.0078 | |
| 193 | Y | A | 0.2164 | |
| 194 | T | A | -0.2431 | |
| 195 | T | A | -1.1058 | |
| 196 | D | A | -2.5102 | |
| 197 | H | A | -1.9112 | |
| 198 | A | A | -0.7954 | |
| 199 | P | A | -0.4525 | |
| 200 | S | A | 0.5422 | |
| 201 | I | A | 1.9424 | |
| 202 | W | A | 1.4582 | |
| 203 | T | A | 0.2276 | |
| 204 | K | A | -0.5386 | |
| 205 | F | A | 0.6689 | |
| 206 | L | A | 0.1960 | |
| 207 | Q | A | -1.4873 | |
| 208 | L | A | -2.0661 | |
| 209 | K | A | -3.2259 | |
| 210 | E | A | -3.5034 | |
| 211 | Q | A | -3.1016 | |
| 212 | D | A | -3.4185 | |
| 213 | R | A | -2.3191 | |
| 214 | L | A | -1.1283 | |
| 215 | Q | A | -2.3278 | |
| 216 | H | A | -2.3390 | |
| 217 | L | A | -1.7177 | |
| 218 | K | A | -3.3899 | |
| 219 | R | A | -3.6308 | |
| 220 | I | A | -2.5688 | |
| 221 | K | A | -4.2359 | |
| 222 | E | A | -4.1020 | |
| 223 | S | A | -3.0443 | |
| 224 | Q | A | -3.3643 | |
| 225 | R | A | -3.5865 | |
| 226 | A | A | -2.1095 | |
| 227 | T | A | -1.7972 | |
| 228 | H | A | -3.2256 | |
| 229 | E | A | -4.3939 | |
| 230 | E | A | -4.6478 | |
| 231 | N | A | -4.4211 | |
| 232 | Q | A | -4.3071 | |
| 233 | E | A | -3.8783 | |
| 234 | Q | A | -2.8030 | |
| 235 | A | A | -1.5996 | |
| 236 | T | A | -1.3496 | |
| 237 | W | A | -0.4281 | |
| 238 | L | A | 0.6799 | |
| 239 | W | A | 0.7719 | |
| 240 | R | A | -1.1408 | |
| 241 | K | A | -0.6637 | |
| 242 | L | A | 1.0750 | |
| 243 | L | A | 0.9595 | |
| 244 | G | A | -0.1851 | |
| 245 | S | A | -0.3656 | |
| 246 | I | A | 0.9236 | |
| 247 | F | A | 0.9033 | |
| 248 | R | A | -1.3156 | |
| 249 | Q | A | -1.7689 | |
| 250 | A | A | -2.1637 | |
| 251 | T | A | -2.5369 | |
| 252 | K | A | -3.3031 | |
| 253 | E | A | -3.7257 | |
| 254 | N | A | -3.3761 | |
| 255 | D | A | -2.8545 | |
| 256 | G | A | -1.9982 | |
| 257 | S | A | 0.0000 | |
| 258 | P | A | -1.3472 | |
| 259 | D | A | -2.4416 | |
| 260 | S | A | -1.1245 | |
| 261 | Y | A | -0.3624 | |
| 262 | N | A | -0.2202 | |
| 263 | L | A | 0.0000 | |
| 264 | Y | A | 0.7316 | |
| 265 | S | A | -0.1894 | |
| 266 | R | A | -1.1588 | |
| 267 | N | A | -1.9468 | |
| 268 | P | A | -1.7805 | |
| 269 | D | A | -2.2831 | |
| 270 | F | A | -1.3548 | |
| 271 | K | A | -2.0480 | |
| 272 | N | A | -1.0797 | |
| 273 | S | A | -0.6568 | |
| 274 | Y | A | -0.3184 | |
| 275 | G | A | 0.0000 | |
| 276 | W | A | -0.9267 | |
| 277 | S | A | -0.8427 | |
| 278 | V | A | 0.0000 | |
| 279 | A | A | -1.0073 | |
| 280 | L | A | 0.0000 | |
| 281 | D | A | -1.3620 | |
| 282 | G | A | 0.0000 | |
| 283 | S | A | -1.0886 | |
| 284 | A | A | -0.6226 | |
| 285 | Y | A | 0.0000 | |
| 286 | S | A | -0.9898 | |
| 287 | P | A | 0.0000 | |
| 288 | L | A | 0.0000 | |
| 289 | K | A | -2.3346 | |
| 290 | H | A | -1.8327 | |
| 291 | S | A | 0.0000 | |
| 292 | G | A | -1.1497 | |
| 293 | I | A | 0.0000 | |
| 294 | G | A | 0.0000 | |
| 295 | I | A | 0.0000 | |
| 296 | Y | A | 0.1026 | |
| 297 | Y | A | 0.0000 | |
| 298 | V | A | 0.0000 | |
| 299 | N | A | -0.5358 | |
| 300 | L | A | 0.0000 | |
| 301 | S | A | -0.5363 | |
| 302 | A | A | -1.0692 | |
| 303 | G | A | 0.0000 | |
| 304 | S | A | 0.0000 | |
| 305 | M | A | 0.0718 | |
| 306 | L | A | 0.0000 | |
| 307 | A | A | 0.0000 | |
| 308 | P | A | 0.4184 | |
| 309 | H | A | 0.0000 | |
| 310 | L | A | 0.3238 | |
| 311 | N | A | 0.0000 | |
| 312 | P | A | -0.1236 | |
| 313 | T | A | -0.7072 | |
| 314 | A | A | 0.0000 | |
| 315 | T | A | 0.0000 | |
| 316 | E | A | 0.0000 | |
| 317 | Y | A | 0.0000 | |
| 318 | G | A | 0.0000 | |
| 319 | I | A | 0.0000 | |
| 320 | V | A | 0.0000 | |
| 321 | L | A | 0.0000 | |
| 322 | R | A | -2.9220 | |
| 323 | G | A | -2.5522 | |
| 324 | S | A | -2.5269 | |
| 325 | G | A | 0.0000 | |
| 326 | R | A | -1.4083 | |
| 327 | L | A | 0.0000 | |
| 328 | Q | A | -0.9097 | |
| 329 | I | A | 0.0000 | |
| 330 | V | A | 0.1083 | |
| 331 | H | A | 0.0000 | |
| 332 | P | A | -0.6842 | |
| 333 | N | A | -1.4904 | |
| 334 | G | A | -1.0541 | |
| 335 | T | A | -0.5957 | |
| 336 | S | A | -0.6959 | |
| 337 | A | A | 0.0000 | |
| 338 | M | A | -1.0683 | |
| 339 | N | A | -1.8340 | |
| 340 | A | A | -1.3968 | |
| 341 | R | A | -1.9906 | |
| 342 | V | A | 0.0000 | |
| 343 | K | A | -3.3184 | |
| 344 | R | A | -3.4570 | |
| 345 | G | A | -1.9725 | |
| 346 | D | A | -1.6769 | |
| 347 | V | A | 0.0000 | |
| 348 | F | A | 0.0000 | |
| 349 | C | A | 0.0000 | |
| 350 | I | A | 0.0000 | |
| 351 | P | A | 0.0000 | |
| 352 | R | A | 0.1398 | |
| 353 | Y | A | 1.2173 | |
| 354 | F | A | 0.0000 | |
| 355 | A | A | 0.4503 | |
| 356 | F | A | 0.0000 | |
| 357 | C | A | 0.0000 | |
| 358 | Q | A | 0.0000 | |
| 359 | I | A | 0.0000 | |
| 360 | A | A | 0.0000 | |
| 361 | S | A | 0.0000 | |
| 362 | R | A | -2.4669 | |
| 363 | R | A | -2.7111 | |
| 364 | G | A | -1.7715 | |
| 365 | P | A | -1.2796 | |
| 366 | F | A | 0.0000 | |
| 367 | E | A | 0.0000 | |
| 368 | F | A | 0.0000 | |
| 369 | F | A | 0.0000 | |
| 370 | G | A | 0.0000 | |
| 371 | F | A | 0.0000 | |
| 372 | T | A | 0.0000 | |
| 373 | T | A | 0.0000 | |
| 374 | S | A | 0.0000 | |
| 375 | A | A | 0.0000 | |
| 376 | H | A | -2.4606 | |
| 377 | K | A | -2.7728 | |
| 378 | S | A | -2.1626 | |
| 379 | R | A | -2.5361 | |
| 380 | P | A | -1.1483 | |
| 381 | Q | A | -0.5323 | |
| 382 | F | A | 0.1501 | |
| 383 | L | A | 0.8330 | |
| 384 | V | A | 0.8059 | |
| 385 | G | A | 0.0000 | |
| 386 | A | A | -1.0171 | |
| 387 | N | A | -1.2524 | |
| 388 | S | A | 0.0000 | |
| 389 | L | A | 0.7564 | |
| 390 | L | A | 0.6438 | |
| 391 | H | A | -0.2514 | |
| 392 | S | A | 0.2939 | |
| 393 | L | A | 1.0094 | |
| 394 | N | A | -0.8295 | |
| 395 | G | A | -1.3007 | |
| 396 | P | A | -1.6108 | |
| 397 | E | A | -1.6477 | |
| 398 | L | A | -0.5024 | |
| 399 | A | A | 0.0000 | |
| 400 | A | A | -0.3869 | |
| 401 | A | A | 0.4052 | |
| 402 | F | A | 1.3595 | |
| 403 | G | A | 0.1790 | |
| 404 | A | A | -0.5591 | |
| 405 | S | A | -1.8996 | |
| 406 | E | A | -3.5327 | |
| 407 | K | A | -3.7156 | |
| 408 | N | A | -2.9086 | |
| 409 | V | A | 0.0000 | |
| 410 | R | A | -3.7079 | |
| 411 | R | A | -3.0471 | |
| 412 | V | A | -0.3537 | |
| 413 | I | A | 0.0000 | |
| 414 | D | A | -1.5706 | |
| 415 | A | A | -0.8521 | |
| 416 | Q | A | -0.9557 | |
| 417 | H | A | -1.6718 | |
| 418 | E | A | -1.2634 | |
| 419 | A | A | -0.8030 | |
| 420 | V | A | -0.0691 | |
| 421 | I | A | 0.0000 | |
| 422 | L | A | 0.0000 | |
| 423 | P | A | -0.2563 | |
| 424 | A | A | 0.0000 | |
| 425 | P | A | -0.6273 | |
| 426 | S | A | -0.4493 | |
| 427 | A | A | -0.3008 | |
| 428 | A | A | 0.0000 | |
| 429 | P | A | -0.7218 | |
| 430 | P | A | -1.2213 | |
| 431 | D | A | -1.5737 | |
| 432 | L | A | -0.1358 | |
| 433 | N | A | -1.7448 | |
| 434 | N | A | -1.8937 | |
| 435 | G | A | -1.6159 | |
| 436 | H | A | -1.8576 | |
| 437 | L | A | -0.8856 | |
| 438 | E | A | -2.6823 | |
| 439 | K | A | -3.0255 | |
| 440 | K | A | -3.1509 | |
| 441 | T | A | -3.2515 | |
| 442 | E | A | -3.8469 | |
| 443 | R | A | -3.7481 | |
| 444 | E | A | -3.1231 | |
| 445 | Q | A | -3.2952 | |
| 446 | E | A | -3.3327 | |
| 447 | I | A | -0.9877 | |
| 448 | I | A | -1.4597 | |
| 449 | K | A | -2.3919 | |
| 450 | A | A | -0.8694 | |
| 451 | L | A | -0.3905 | |
| 452 | A | A | -0.9554 | |
| 453 | S | A | -0.8820 | |
| 454 | D | A | -0.9300 | |
| 455 | M | A | 0.6164 | |
| 456 | V | A | 1.8913 | |
| 457 | M | A | 1.7906 | |
| 458 | G | A | 0.8987 | |
| 459 | F | A | 1.3838 | |
| 460 | D | A | -0.8453 |
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