| Chain sequence(s) |
A: MATNLRVLMFPWLAYGHISPFLNIAKQLADRGFLIYLCSTRINLESIIKKIPEKYADSIHLIELQLPELPELPPHYHTTNGLPPHLNPTLHKALKMSKPNFSRILQNLKPDLLIYDVLQPWAEHVANEQNIPAGKLLTSCAAVFSYFFSFRKNPGVEFPFPAIHLPEVEKVKIREILAKEPEEGGRLDEGNKQMMLMCTSRTIEAKYIDYCTELCNWKVVPVGPPFQDLITNDADNKELIDWLGTKHENSTVFVSFGSEYFLSKEDMEEVAFALELSNVNFIWVARFPKGEERNLEDALPKGFLERIGERGRVLDKFAPQPRILNHPSTGGFISHCGWNSAMESIDFGVPIIAMPIHFDQPINAKLMVELGVAVEIVRDDDGKIHRGEIAETLKSVVTGETGEILRAKVREISKNLKSIRDEEMDAVAEELIQLCRNSNKSK
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] (00:00:00)
[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 (00:00:00)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:08:07)
[INFO] Main: Simulation completed successfully. (00:08:09)
|
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 | 0.8351 | |
| 2 | A | A | -0.0451 | |
| 3 | T | A | -0.4741 | |
| 4 | N | A | -1.2280 | |
| 5 | L | A | -0.7853 | |
| 6 | R | A | -1.0709 | |
| 7 | V | A | 0.0000 | |
| 8 | L | A | 0.0000 | |
| 9 | M | A | 0.0000 | |
| 10 | F | A | 0.0000 | |
| 11 | P | A | 0.0000 | |
| 12 | W | A | 0.0000 | |
| 13 | L | A | 0.0000 | |
| 14 | A | A | 0.0000 | |
| 15 | Y | A | -0.1334 | |
| 16 | G | A | -0.3944 | |
| 17 | H | A | -0.1874 | |
| 18 | I | A | 0.0000 | |
| 19 | S | A | -0.2333 | |
| 20 | P | A | 0.0000 | |
| 21 | F | A | 0.0000 | |
| 22 | L | A | 0.0000 | |
| 23 | N | A | -0.0816 | |
| 24 | I | A | 0.0000 | |
| 25 | A | A | 0.0000 | |
| 26 | K | A | 0.0000 | |
| 27 | Q | A | -1.0283 | |
| 28 | L | A | 0.0000 | |
| 29 | A | A | -1.2524 | |
| 30 | D | A | -1.7189 | |
| 31 | R | A | -1.1704 | |
| 32 | G | A | -0.7543 | |
| 33 | F | A | 0.0000 | |
| 34 | L | A | -0.8415 | |
| 35 | I | A | 0.0000 | |
| 36 | Y | A | -0.0624 | |
| 37 | L | A | 0.0000 | |
| 38 | C | A | 0.0000 | |
| 39 | S | A | 0.0000 | |
| 40 | T | A | 0.0000 | |
| 41 | R | A | -2.3356 | |
| 42 | I | A | -1.0288 | |
| 43 | N | A | 0.0000 | |
| 44 | L | A | 0.0000 | |
| 45 | E | A | -1.3009 | |
| 46 | S | A | -0.6735 | |
| 47 | I | A | 0.0000 | |
| 48 | I | A | 0.4796 | |
| 49 | K | A | -1.3617 | |
| 50 | K | A | -0.9223 | |
| 51 | I | A | -0.8791 | |
| 52 | P | A | -1.5765 | |
| 53 | E | A | -3.0919 | |
| 54 | K | A | -3.0300 | |
| 55 | Y | A | 0.0000 | |
| 56 | A | A | -2.0783 | |
| 57 | D | A | -2.4657 | |
| 58 | S | A | -1.8116 | |
| 59 | I | A | 0.0000 | |
| 60 | H | A | -0.9075 | |
| 61 | L | A | -0.2073 | |
| 62 | I | A | -0.3908 | |
| 63 | E | A | -1.1354 | |
| 64 | L | A | 0.0000 | |
| 65 | Q | A | -1.9630 | |
| 66 | L | A | 0.0000 | |
| 67 | P | A | -1.4591 | |
| 68 | E | A | -2.2575 | |
| 69 | L | A | -1.5639 | |
| 70 | P | A | -1.4688 | |
| 71 | E | A | -2.0954 | |
| 72 | L | A | 0.0000 | |
| 73 | P | A | -1.2322 | |
| 74 | P | A | -1.2134 | |
| 75 | H | A | -1.0853 | |
| 76 | Y | A | -0.7177 | |
| 77 | H | A | 0.0000 | |
| 78 | T | A | 0.0000 | |
| 79 | T | A | 0.0000 | |
| 80 | N | A | -0.6118 | |
| 81 | G | A | 0.0000 | |
| 82 | L | A | 0.0000 | |
| 83 | P | A | 0.0000 | |
| 84 | P | A | -1.0119 | |
| 85 | H | A | -1.2952 | |
| 86 | L | A | 0.0000 | |
| 87 | N | A | -1.2931 | |
| 88 | P | A | -1.2030 | |
| 89 | T | A | -1.4621 | |
| 90 | L | A | 0.0000 | |
| 91 | H | A | -1.5361 | |
| 92 | K | A | -2.1658 | |
| 93 | A | A | 0.0000 | |
| 94 | L | A | 0.0000 | |
| 95 | K | A | -2.0595 | |
| 96 | M | A | -0.9976 | |
| 97 | S | A | 0.0000 | |
| 98 | K | A | -1.4709 | |
| 99 | P | A | -1.2089 | |
| 100 | N | A | -1.5323 | |
| 101 | F | A | 0.0000 | |
| 102 | S | A | -2.0063 | |
| 103 | R | A | -2.9146 | |
| 104 | I | A | -1.8898 | |
| 105 | L | A | 0.0000 | |
| 106 | Q | A | -2.9871 | |
| 107 | N | A | -2.6995 | |
| 108 | L | A | -1.9428 | |
| 109 | K | A | -2.9781 | |
| 110 | P | A | 0.0000 | |
| 111 | D | A | -1.8660 | |
| 112 | L | A | 0.0000 | |
| 113 | L | A | 0.0000 | |
| 114 | I | A | 0.0000 | |
| 115 | Y | A | 0.0000 | |
| 116 | D | A | 0.0000 | |
| 117 | V | A | 0.8254 | |
| 118 | L | A | 1.1597 | |
| 119 | Q | A | 0.0000 | |
| 120 | P | A | -0.3967 | |
| 121 | W | A | -0.7277 | |
| 122 | A | A | 0.0000 | |
| 123 | E | A | -1.4089 | |
| 124 | H | A | -2.1104 | |
| 125 | V | A | -2.0010 | |
| 126 | A | A | 0.0000 | |
| 127 | N | A | -2.8098 | |
| 128 | E | A | -3.0751 | |
| 129 | Q | A | -2.7092 | |
| 130 | N | A | -3.1456 | |
| 131 | I | A | 0.0000 | |
| 132 | P | A | -1.4285 | |
| 133 | A | A | -0.7626 | |
| 134 | G | A | 0.0000 | |
| 135 | K | A | -0.0987 | |
| 136 | L | A | 0.0000 | |
| 137 | L | A | 0.3985 | |
| 138 | T | A | 0.0000 | |
| 139 | S | A | -0.0609 | |
| 140 | C | A | 0.0000 | |
| 141 | A | A | 0.0000 | |
| 142 | A | A | 0.0000 | |
| 143 | V | A | 0.0000 | |
| 144 | F | A | 0.0000 | |
| 145 | S | A | 0.0000 | |
| 146 | Y | A | 0.0000 | |
| 147 | F | A | 0.0157 | |
| 148 | F | A | 0.0955 | |
| 149 | S | A | -0.5435 | |
| 150 | F | A | -0.8272 | |
| 151 | R | A | -1.4716 | |
| 152 | K | A | -1.9475 | |
| 153 | N | A | -1.6670 | |
| 154 | P | A | -1.2809 | |
| 155 | G | A | -0.6144 | |
| 156 | V | A | 0.0692 | |
| 157 | E | A | -1.3324 | |
| 158 | F | A | 0.0000 | |
| 159 | P | A | -0.4526 | |
| 160 | F | A | -0.4376 | |
| 161 | P | A | -0.6525 | |
| 162 | A | A | -0.2755 | |
| 163 | I | A | 0.0000 | |
| 164 | H | A | -1.1822 | |
| 165 | L | A | 0.0000 | |
| 166 | P | A | -0.8121 | |
| 167 | E | A | -1.0379 | |
| 168 | V | A | 0.4126 | |
| 169 | E | A | -0.3035 | |
| 170 | K | A | -0.8867 | |
| 171 | V | A | 0.1778 | |
| 172 | K | A | -0.6792 | |
| 173 | I | A | 0.0000 | |
| 174 | R | A | -2.4571 | |
| 175 | E | A | -2.7997 | |
| 176 | I | A | -1.4666 | |
| 177 | L | A | -2.2318 | |
| 178 | A | A | -2.5613 | |
| 179 | K | A | -3.2308 | |
| 180 | E | A | -3.4182 | |
| 181 | P | A | -2.9582 | |
| 182 | E | A | -3.6764 | |
| 183 | E | A | -3.6582 | |
| 184 | G | A | -2.3807 | |
| 185 | G | A | -2.5239 | |
| 186 | R | A | -2.8391 | |
| 187 | L | A | -1.4137 | |
| 188 | D | A | -2.9118 | |
| 189 | E | A | -3.7474 | |
| 190 | G | A | -2.8394 | |
| 191 | N | A | -3.1637 | |
| 192 | K | A | -3.2170 | |
| 193 | Q | A | -2.3181 | |
| 194 | M | A | 0.0000 | |
| 195 | M | A | 0.0000 | |
| 196 | L | A | 0.0000 | |
| 197 | M | A | 0.0000 | |
| 198 | C | A | 0.0184 | |
| 199 | T | A | 0.0000 | |
| 200 | S | A | 0.0000 | |
| 201 | R | A | -1.2399 | |
| 202 | T | A | -0.7898 | |
| 203 | I | A | 0.0000 | |
| 204 | E | A | 0.0000 | |
| 205 | A | A | -1.2631 | |
| 206 | K | A | -1.6545 | |
| 207 | Y | A | 0.0000 | |
| 208 | I | A | 0.0000 | |
| 209 | D | A | -2.0571 | |
| 210 | Y | A | -1.4971 | |
| 211 | C | A | 0.0000 | |
| 212 | T | A | -1.7271 | |
| 213 | E | A | -2.4082 | |
| 214 | L | A | -1.3793 | |
| 215 | C | A | -1.1561 | |
| 216 | N | A | -2.0665 | |
| 217 | W | A | -1.9427 | |
| 218 | K | A | -1.8292 | |
| 219 | V | A | 0.0000 | |
| 220 | V | A | 0.0000 | |
| 221 | P | A | -0.2154 | |
| 222 | V | A | 0.0000 | |
| 223 | G | A | 0.0000 | |
| 224 | P | A | 0.0000 | |
| 225 | P | A | 0.0785 | |
| 226 | F | A | 0.7063 | |
| 227 | Q | A | 0.2151 | |
| 228 | D | A | -0.1535 | |
| 229 | L | A | -0.0130 | |
| 230 | I | A | -0.3261 | |
| 231 | T | A | -0.8145 | |
| 232 | N | A | -2.0187 | |
| 233 | D | A | -2.4146 | |
| 234 | A | A | -2.5028 | |
| 235 | D | A | -3.0966 | |
| 236 | N | A | -2.9070 | |
| 237 | K | A | -3.7415 | |
| 238 | E | A | -3.3365 | |
| 239 | L | A | 0.0000 | |
| 240 | I | A | -1.7916 | |
| 241 | D | A | -2.3772 | |
| 242 | W | A | 0.0000 | |
| 243 | L | A | 0.0000 | |
| 244 | G | A | -1.6077 | |
| 245 | T | A | -1.1150 | |
| 246 | K | A | -1.7608 | |
| 247 | H | A | -2.3023 | |
| 248 | E | A | -2.6922 | |
| 249 | N | A | -1.7501 | |
| 250 | S | A | -1.4099 | |
| 251 | T | A | 0.0000 | |
| 252 | V | A | 0.0000 | |
| 253 | F | A | 0.0000 | |
| 254 | V | A | 0.0000 | |
| 255 | S | A | 0.0000 | |
| 256 | F | A | 0.0000 | |
| 257 | G | A | -0.2990 | |
| 258 | S | A | -0.3914 | |
| 259 | E | A | -1.0805 | |
| 260 | Y | A | -0.2475 | |
| 261 | F | A | -0.0422 | |
| 262 | L | A | -0.4374 | |
| 263 | S | A | -1.3334 | |
| 264 | K | A | -2.5831 | |
| 265 | E | A | -2.6186 | |
| 266 | D | A | 0.0000 | |
| 267 | M | A | 0.0000 | |
| 268 | E | A | -2.0408 | |
| 269 | E | A | 0.0000 | |
| 270 | V | A | 0.0000 | |
| 271 | A | A | 0.0000 | |
| 272 | F | A | 0.0114 | |
| 273 | A | A | 0.0000 | |
| 274 | L | A | 0.0000 | |
| 275 | E | A | -0.2688 | |
| 276 | L | A | 0.3625 | |
| 277 | S | A | 0.0000 | |
| 278 | N | A | -1.2013 | |
| 279 | V | A | 0.0000 | |
| 280 | N | A | -1.1398 | |
| 281 | F | A | 0.0000 | |
| 282 | I | A | 0.0000 | |
| 283 | W | A | 0.0000 | |
| 284 | V | A | 0.0000 | |
| 285 | A | A | 0.0000 | |
| 286 | R | A | -1.7834 | |
| 287 | F | A | -2.2407 | |
| 288 | P | A | -2.2090 | |
| 289 | K | A | -2.5254 | |
| 290 | G | A | -2.5483 | |
| 291 | E | A | -3.5132 | |
| 292 | E | A | -4.1821 | |
| 293 | R | A | -4.3799 | |
| 294 | N | A | -3.7217 | |
| 295 | L | A | -2.7472 | |
| 296 | E | A | -3.7444 | |
| 297 | D | A | -3.7178 | |
| 298 | A | A | -2.7448 | |
| 299 | L | A | 0.0000 | |
| 300 | P | A | -1.8673 | |
| 301 | K | A | -2.7983 | |
| 302 | G | A | -2.2560 | |
| 303 | F | A | 0.0000 | |
| 304 | L | A | -1.8033 | |
| 305 | E | A | -3.0347 | |
| 306 | R | A | -2.7578 | |
| 307 | I | A | 0.0000 | |
| 308 | G | A | -2.2609 | |
| 309 | E | A | -2.5568 | |
| 310 | R | A | -1.8255 | |
| 311 | G | A | 0.0000 | |
| 312 | R | A | -0.5726 | |
| 313 | V | A | -0.3097 | |
| 314 | L | A | -0.9609 | |
| 315 | D | A | -2.7276 | |
| 316 | K | A | -2.0381 | |
| 317 | F | A | -0.1389 | |
| 318 | A | A | -0.2639 | |
| 319 | P | A | -0.3098 | |
| 320 | Q | A | -0.3024 | |
| 321 | P | A | -0.5748 | |
| 322 | R | A | -0.7208 | |
| 323 | I | A | 0.0000 | |
| 324 | L | A | 0.0000 | |
| 325 | N | A | -1.3991 | |
| 326 | H | A | -1.1910 | |
| 327 | P | A | -1.5366 | |
| 328 | S | A | 0.0000 | |
| 329 | T | A | 0.0000 | |
| 330 | G | A | 0.0000 | |
| 331 | G | A | 0.0000 | |
| 332 | F | A | 0.0000 | |
| 333 | I | A | 0.0000 | |
| 334 | S | A | 0.0000 | |
| 335 | H | A | 0.0000 | |
| 336 | C | A | 0.0000 | |
| 337 | G | A | -0.1085 | |
| 338 | W | A | 0.0000 | |
| 339 | N | A | -0.4767 | |
| 340 | S | A | 0.0000 | |
| 341 | A | A | 0.0000 | |
| 342 | M | A | 0.0000 | |
| 343 | E | A | -0.3804 | |
| 344 | S | A | 0.0000 | |
| 345 | I | A | 0.0000 | |
| 346 | D | A | -0.8323 | |
| 347 | F | A | -0.6189 | |
| 348 | G | A | 0.0000 | |
| 349 | V | A | 0.0000 | |
| 350 | P | A | 0.0000 | |
| 351 | I | A | 0.0000 | |
| 352 | I | A | 0.0000 | |
| 353 | A | A | 0.0000 | |
| 354 | M | A | 0.0000 | |
| 355 | P | A | 0.3828 | |
| 356 | I | A | 0.4907 | |
| 357 | H | A | 0.6297 | |
| 358 | F | A | 1.6621 | |
| 359 | D | A | 0.6670 | |
| 360 | Q | A | 0.0000 | |
| 361 | P | A | 0.0000 | |
| 362 | I | A | 0.0000 | |
| 363 | N | A | 0.0000 | |
| 364 | A | A | 0.0000 | |
| 365 | K | A | -0.2586 | |
| 366 | L | A | 0.0000 | |
| 367 | M | A | 0.0000 | |
| 368 | V | A | 0.5229 | |
| 369 | E | A | -0.2513 | |
| 370 | L | A | -0.0696 | |
| 371 | G | A | 0.2238 | |
| 372 | V | A | 0.0000 | |
| 373 | A | A | 0.0000 | |
| 374 | V | A | 0.6232 | |
| 375 | E | A | 0.5061 | |
| 376 | I | A | 0.0000 | |
| 377 | V | A | 0.6939 | |
| 378 | R | A | -1.3319 | |
| 379 | D | A | -2.4401 | |
| 380 | D | A | -2.9306 | |
| 381 | D | A | -3.1605 | |
| 382 | G | A | -2.0167 | |
| 383 | K | A | -2.1625 | |
| 384 | I | A | 0.0000 | |
| 385 | H | A | -1.6466 | |
| 386 | R | A | -1.6277 | |
| 387 | G | A | -1.7050 | |
| 388 | E | A | -2.6487 | |
| 389 | I | A | 0.0000 | |
| 390 | A | A | 0.0000 | |
| 391 | E | A | -2.6925 | |
| 392 | T | A | -1.6818 | |
| 393 | L | A | 0.0000 | |
| 394 | K | A | -1.6838 | |
| 395 | S | A | -1.5718 | |
| 396 | V | A | 0.0000 | |
| 397 | V | A | -0.9571 | |
| 398 | T | A | -0.9842 | |
| 399 | G | A | -1.5015 | |
| 400 | E | A | -2.0798 | |
| 401 | T | A | -0.8657 | |
| 402 | G | A | 0.0000 | |
| 403 | E | A | -1.6074 | |
| 404 | I | A | 0.4825 | |
| 405 | L | A | 0.0000 | |
| 406 | R | A | 0.0000 | |
| 407 | A | A | -0.9177 | |
| 408 | K | A | -1.5397 | |
| 409 | V | A | 0.0000 | |
| 410 | R | A | -2.7337 | |
| 411 | E | A | -3.0906 | |
| 412 | I | A | 0.0000 | |
| 413 | S | A | 0.0000 | |
| 414 | K | A | -3.2175 | |
| 415 | N | A | -2.1282 | |
| 416 | L | A | 0.0000 | |
| 417 | K | A | -2.1618 | |
| 418 | S | A | -1.7842 | |
| 419 | I | A | -1.7305 | |
| 420 | R | A | -2.0507 | |
| 421 | D | A | -3.4029 | |
| 422 | E | A | -3.3930 | |
| 423 | E | A | 0.0000 | |
| 424 | M | A | 0.0000 | |
| 425 | D | A | -3.3630 | |
| 426 | A | A | -2.0693 | |
| 427 | V | A | 0.0000 | |
| 428 | A | A | 0.0000 | |
| 429 | E | A | -1.9524 | |
| 430 | E | A | -1.6170 | |
| 431 | L | A | 0.0000 | |
| 432 | I | A | 0.0000 | |
| 433 | Q | A | -1.9415 | |
| 434 | L | A | -1.4413 | |
| 435 | C | A | 0.0000 | |
| 436 | R | A | -3.2965 | |
| 437 | N | A | -2.9386 | |
| 438 | S | A | -2.8243 | |
| 439 | N | A | -3.8072 | |
| 440 | K | A | -3.5974 | |
| 441 | S | A | -2.7598 | |
| 442 | K | A | -3.0151 |
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