| Chain sequence(s) |
A: GPLPLNPEPALRSTDDYVEPTDLLYIAETDLITQTGHPFKDIVVNGKVVTPRVSATDWLVFELTLPDPNTMPLPSSDFVDRSTERLIWRLRAFYIGVGGPLGKGTYGHPNYNRFGNVDNPTSYQHETKDVTVNYSFTPKRLQQYVIGDLPPTGKYTALAEPEPGLPPGARPPLKTVSTTIQDGDRADIGFGARDFKALLPSKNDVPDIILDTKTVRIDLDGMLADPTGDRIFTYDRYEQSSNVENYVKSGKDLIPLPCLPPPCLLYIKPDPSSPYYKPPSYNYFSIPDAGEITESQLLFNKPVFLEKTPGLNNGVLWGNRLYITVLDNTRAEIAENKTRVSTPALDVYDPSNYVTSKTYTREYQLSLIVQLARIPLTPDVLAEIARIDPSILVNWNLPSIPPVERPDPLAGKKFINLDLTDKLSSNLEDSWLGRLYLNK
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | No |
| 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] runJob: FoldX not utilized. Treating input pdb file as it was already optimized. (00:00:00)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:00:01)
[INFO] Main: Simulation completed successfully. (00:00:04)
|
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 | |
| 1 | G | A | -0.2047 | |
| 2 | P | A | 0.4172 | |
| 3 | L | A | 1.3946 | |
| 4 | P | A | 0.7019 | |
| 5 | L | A | 0.8679 | |
| 6 | N | A | -1.0134 | |
| 7 | P | A | -1.4244 | |
| 8 | E | A | -2.1372 | |
| 9 | P | A | -1.3956 | |
| 10 | A | A | -0.6693 | |
| 11 | L | A | -0.4992 | |
| 12 | R | A | -1.2046 | |
| 13 | S | A | -1.2169 | |
| 14 | T | A | 0.0000 | |
| 15 | D | A | -2.8066 | |
| 16 | D | A | -2.8011 | |
| 17 | Y | A | 0.0000 | |
| 18 | V | A | 0.0000 | |
| 19 | E | A | -2.1030 | |
| 20 | P | A | -1.5020 | |
| 21 | T | A | 0.0000 | |
| 22 | D | A | -1.6271 | |
| 23 | L | A | -0.5023 | |
| 24 | L | A | -0.2411 | |
| 25 | Y | A | -0.1935 | |
| 26 | I | A | 0.0000 | |
| 27 | A | A | 0.0000 | |
| 28 | E | A | -1.2470 | |
| 29 | T | A | 0.0000 | |
| 30 | D | A | -1.3675 | |
| 31 | L | A | 0.3208 | |
| 32 | I | A | 0.0544 | |
| 33 | T | A | -0.2844 | |
| 34 | Q | A | -0.5514 | |
| 35 | T | A | -0.4632 | |
| 36 | G | A | 0.0000 | |
| 37 | H | A | -1.0513 | |
| 38 | P | A | 0.0000 | |
| 39 | F | A | -1.0471 | |
| 40 | K | A | -1.9253 | |
| 41 | D | A | -0.8098 | |
| 42 | I | A | 1.2760 | |
| 43 | V | A | 2.2763 | |
| 44 | V | A | 1.7795 | |
| 45 | N | A | -0.4707 | |
| 46 | G | A | -0.3031 | |
| 47 | K | A | -0.0752 | |
| 48 | V | A | 1.9807 | |
| 49 | V | A | 2.5882 | |
| 50 | T | A | 1.0495 | |
| 51 | P | A | -0.1699 | |
| 52 | R | A | -1.0751 | |
| 53 | V | A | 0.0000 | |
| 54 | S | A | 0.0000 | |
| 55 | A | A | 0.0000 | |
| 56 | T | A | 0.0000 | |
| 57 | D | A | 0.0000 | |
| 58 | W | A | 0.0000 | |
| 59 | L | A | 0.0000 | |
| 60 | V | A | 0.0000 | |
| 61 | F | A | 0.0000 | |
| 62 | E | A | -1.0452 | |
| 63 | L | A | 0.0000 | |
| 64 | T | A | -1.5241 | |
| 65 | L | A | 0.0000 | |
| 66 | P | A | -1.2457 | |
| 67 | D | A | -1.0146 | |
| 68 | P | A | 0.0000 | |
| 69 | N | A | -0.8089 | |
| 70 | T | A | -0.3610 | |
| 71 | M | A | -0.1924 | |
| 72 | P | A | -0.1716 | |
| 73 | L | A | -0.1515 | |
| 74 | P | A | -0.3892 | |
| 75 | S | A | -0.7480 | |
| 76 | S | A | -1.2780 | |
| 77 | D | A | -2.3466 | |
| 78 | F | A | -1.2856 | |
| 79 | V | A | 0.0000 | |
| 80 | D | A | -3.1666 | |
| 81 | R | A | -3.1424 | |
| 82 | S | A | -1.7815 | |
| 83 | T | A | -1.4427 | |
| 84 | E | A | -1.7527 | |
| 85 | R | A | -1.3546 | |
| 86 | L | A | 0.0000 | |
| 87 | I | A | 0.0000 | |
| 88 | W | A | 0.0000 | |
| 89 | R | A | 0.0000 | |
| 90 | L | A | 0.0000 | |
| 91 | R | A | -0.6373 | |
| 92 | A | A | 0.0000 | |
| 93 | F | A | 0.0000 | |
| 94 | Y | A | -0.3866 | |
| 95 | I | A | 0.0000 | |
| 96 | G | A | 0.0000 | |
| 97 | V | A | 0.0000 | |
| 98 | G | A | -0.5725 | |
| 99 | G | A | -0.9479 | |
| 100 | P | A | -0.7282 | |
| 101 | L | A | -0.6094 | |
| 102 | G | A | -1.2142 | |
| 103 | K | A | -1.6569 | |
| 104 | G | A | 0.0000 | |
| 105 | T | A | -0.5679 | |
| 106 | Y | A | 0.0000 | |
| 107 | G | A | -0.9084 | |
| 108 | H | A | -1.4998 | |
| 109 | P | A | -1.5459 | |
| 110 | N | A | -2.2840 | |
| 111 | Y | A | 0.0000 | |
| 112 | N | A | 0.0000 | |
| 113 | R | A | -0.6001 | |
| 114 | F | A | -0.5805 | |
| 115 | G | A | 0.0000 | |
| 116 | N | A | -1.2439 | |
| 117 | V | A | -0.8635 | |
| 118 | D | A | -2.0289 | |
| 119 | N | A | -2.1777 | |
| 120 | P | A | -1.2589 | |
| 121 | T | A | -0.7214 | |
| 122 | S | A | -0.4685 | |
| 123 | Y | A | -0.0035 | |
| 124 | Q | A | -0.9424 | |
| 125 | H | A | -1.7450 | |
| 126 | E | A | -2.7241 | |
| 127 | T | A | -2.1229 | |
| 128 | K | A | -2.7958 | |
| 129 | D | A | -2.7671 | |
| 130 | V | A | -1.4683 | |
| 131 | T | A | -1.2866 | |
| 132 | V | A | -0.8575 | |
| 133 | N | A | -1.6102 | |
| 134 | Y | A | -0.8620 | |
| 135 | S | A | -0.5520 | |
| 136 | F | A | 0.0000 | |
| 137 | T | A | -0.2062 | |
| 138 | P | A | 0.0000 | |
| 139 | K | A | 0.0000 | |
| 140 | R | A | 0.0000 | |
| 141 | L | A | 0.0000 | |
| 142 | Q | A | 0.0000 | |
| 143 | Q | A | 0.0000 | |
| 144 | Y | A | 0.0000 | |
| 145 | V | A | 0.0000 | |
| 146 | I | A | 0.0000 | |
| 147 | G | A | 0.0000 | |
| 148 | D | A | 0.0000 | |
| 149 | L | A | 0.2397 | |
| 150 | P | A | 0.0000 | |
| 151 | P | A | 0.0000 | |
| 152 | T | A | -0.4678 | |
| 153 | G | A | 0.0000 | |
| 154 | K | A | -1.1225 | |
| 155 | Y | A | -1.1801 | |
| 156 | T | A | -0.6183 | |
| 157 | A | A | 0.0000 | |
| 158 | L | A | 0.1667 | |
| 159 | A | A | -0.9052 | |
| 160 | E | A | -2.2817 | |
| 161 | P | A | -1.9525 | |
| 162 | E | A | -2.4474 | |
| 163 | P | A | -1.4708 | |
| 164 | G | A | -0.7914 | |
| 165 | L | A | -0.5512 | |
| 166 | P | A | -0.6800 | |
| 167 | P | A | -0.7227 | |
| 168 | G | A | -0.9426 | |
| 169 | A | A | -0.8314 | |
| 170 | R | A | -1.3791 | |
| 171 | P | A | -1.2523 | |
| 172 | P | A | -0.7842 | |
| 173 | L | A | 0.1271 | |
| 174 | K | A | -0.9549 | |
| 175 | T | A | -0.4877 | |
| 176 | V | A | -0.2149 | |
| 177 | S | A | -0.6440 | |
| 178 | T | A | -0.4007 | |
| 179 | T | A | -0.4796 | |
| 180 | I | A | 0.0000 | |
| 181 | Q | A | -1.1302 | |
| 182 | D | A | -1.1291 | |
| 183 | G | A | -0.7457 | |
| 184 | D | A | -1.0682 | |
| 185 | R | A | -0.8484 | |
| 186 | A | A | 0.0000 | |
| 187 | D | A | -0.8315 | |
| 188 | I | A | 0.0000 | |
| 189 | G | A | -0.4547 | |
| 190 | F | A | 0.0045 | |
| 191 | G | A | -0.6183 | |
| 192 | A | A | -1.1360 | |
| 193 | R | A | -1.3233 | |
| 194 | D | A | -1.4745 | |
| 195 | F | A | 0.0000 | |
| 196 | K | A | -2.9511 | |
| 197 | A | A | -1.1390 | |
| 198 | L | A | -0.6231 | |
| 199 | L | A | -1.1269 | |
| 200 | P | A | -1.3321 | |
| 201 | S | A | -1.2848 | |
| 202 | K | A | -2.7653 | |
| 203 | N | A | -1.6840 | |
| 204 | D | A | 0.0000 | |
| 205 | V | A | 0.0000 | |
| 206 | P | A | 0.0000 | |
| 207 | D | A | -1.9636 | |
| 208 | I | A | 0.0000 | |
| 209 | I | A | 0.0000 | |
| 210 | L | A | -2.2147 | |
| 211 | D | A | -3.0370 | |
| 212 | T | A | -2.0853 | |
| 213 | K | A | -1.8573 | |
| 214 | T | A | 0.0000 | |
| 215 | V | A | 0.0000 | |
| 216 | R | A | -1.8235 | |
| 217 | I | A | 0.0000 | |
| 218 | D | A | -1.1155 | |
| 219 | L | A | -0.7877 | |
| 220 | D | A | -1.5683 | |
| 221 | G | A | -1.0251 | |
| 222 | M | A | 0.0000 | |
| 223 | L | A | -0.0472 | |
| 224 | A | A | -0.3536 | |
| 225 | D | A | -0.5138 | |
| 226 | P | A | -0.2132 | |
| 227 | T | A | -0.2689 | |
| 228 | G | A | 0.0000 | |
| 229 | D | A | 0.0000 | |
| 230 | R | A | -0.0287 | |
| 231 | I | A | 0.0000 | |
| 232 | F | A | 0.0000 | |
| 233 | T | A | -0.1722 | |
| 234 | Y | A | -0.0748 | |
| 235 | D | A | -0.7585 | |
| 236 | R | A | -0.9518 | |
| 237 | Y | A | -0.6572 | |
| 238 | E | A | -1.0253 | |
| 239 | Q | A | -1.1918 | |
| 240 | S | A | -0.8856 | |
| 241 | S | A | -0.8870 | |
| 242 | N | A | -0.8538 | |
| 243 | V | A | 0.5094 | |
| 244 | E | A | -0.7694 | |
| 245 | N | A | -0.8944 | |
| 246 | Y | A | 0.0000 | |
| 247 | V | A | 0.0000 | |
| 248 | K | A | -0.5688 | |
| 249 | S | A | -1.4396 | |
| 250 | G | A | -1.5231 | |
| 251 | K | A | -1.6122 | |
| 252 | D | A | 0.1034 | |
| 253 | L | A | 1.4083 | |
| 254 | I | A | 2.1721 | |
| 255 | P | A | 1.1617 | |
| 256 | L | A | 1.6984 | |
| 257 | P | A | 1.5414 | |
| 258 | C | A | 1.4404 | |
| 259 | L | A | 1.6008 | |
| 260 | P | A | 0.6645 | |
| 261 | P | A | 0.3108 | |
| 262 | P | A | 0.7548 | |
| 263 | C | A | 1.8626 | |
| 264 | L | A | 2.9281 | |
| 265 | L | A | 2.7791 | |
| 266 | Y | A | 2.1259 | |
| 267 | I | A | 1.8457 | |
| 268 | K | A | -0.5744 | |
| 269 | P | A | -0.8697 | |
| 270 | D | A | -1.9086 | |
| 271 | P | A | -1.3035 | |
| 272 | S | A | -0.6680 | |
| 273 | S | A | -0.6941 | |
| 274 | P | A | -0.2811 | |
| 275 | Y | A | 0.1167 | |
| 276 | Y | A | -0.3134 | |
| 277 | K | A | -1.7707 | |
| 278 | P | A | -0.8332 | |
| 279 | P | A | -0.7984 | |
| 280 | S | A | 0.0000 | |
| 281 | Y | A | 0.2046 | |
| 282 | N | A | -0.0763 | |
| 283 | Y | A | 1.0748 | |
| 284 | F | A | 0.3794 | |
| 285 | S | A | -0.1388 | |
| 286 | I | A | 0.0000 | |
| 287 | P | A | 0.0000 | |
| 288 | D | A | -0.8085 | |
| 289 | A | A | 0.0000 | |
| 290 | G | A | -1.1931 | |
| 291 | E | A | -1.9887 | |
| 292 | I | A | -1.2027 | |
| 293 | T | A | -1.3297 | |
| 294 | E | A | -1.8743 | |
| 295 | S | A | -1.2118 | |
| 296 | Q | A | -1.1003 | |
| 297 | L | A | -0.7583 | |
| 298 | L | A | -0.7223 | |
| 299 | F | A | 0.0000 | |
| 300 | N | A | -1.3044 | |
| 301 | K | A | -1.7181 | |
| 302 | P | A | -0.5048 | |
| 303 | V | A | -0.1135 | |
| 304 | F | A | -0.3942 | |
| 305 | L | A | 0.0000 | |
| 306 | E | A | -2.5582 | |
| 307 | K | A | -2.7462 | |
| 308 | T | A | 0.0000 | |
| 309 | P | A | -0.3814 | |
| 310 | G | A | -0.2511 | |
| 311 | L | A | -0.4897 | |
| 312 | N | A | 0.0000 | |
| 313 | N | A | 0.0000 | |
| 314 | G | A | 0.0000 | |
| 315 | V | A | 0.0000 | |
| 316 | L | A | 0.0000 | |
| 317 | W | A | 0.0000 | |
| 318 | G | A | -0.7706 | |
| 319 | N | A | -0.8388 | |
| 320 | R | A | -1.0266 | |
| 321 | L | A | 0.0000 | |
| 322 | Y | A | 0.0000 | |
| 323 | I | A | 0.0000 | |
| 324 | T | A | 0.0000 | |
| 325 | V | A | 0.0000 | |
| 326 | L | A | 0.0000 | |
| 327 | D | A | 0.0000 | |
| 328 | N | A | 0.0000 | |
| 329 | T | A | 0.0000 | |
| 330 | R | A | -0.9826 | |
| 331 | A | A | 0.0000 | |
| 332 | E | A | -2.2567 | |
| 333 | I | A | -1.4486 | |
| 334 | A | A | -1.6299 | |
| 335 | E | A | -3.1015 | |
| 336 | N | A | -2.5505 | |
| 337 | K | A | -2.3629 | |
| 338 | T | A | -0.9858 | |
| 339 | R | A | -0.9681 | |
| 340 | V | A | 0.9819 | |
| 341 | S | A | 0.1099 | |
| 342 | T | A | -0.1865 | |
| 343 | P | A | -0.5420 | |
| 344 | A | A | -0.2078 | |
| 345 | L | A | 0.2515 | |
| 346 | D | A | -0.4278 | |
| 347 | V | A | 1.5550 | |
| 348 | Y | A | 1.4194 | |
| 349 | D | A | -0.0903 | |
| 350 | P | A | -0.5403 | |
| 351 | S | A | -0.0807 | |
| 352 | N | A | -0.0536 | |
| 353 | Y | A | 0.0831 | |
| 354 | V | A | 0.9833 | |
| 355 | T | A | -0.9833 | |
| 356 | S | A | -1.3720 | |
| 357 | K | A | -1.8426 | |
| 358 | T | A | -1.1948 | |
| 359 | Y | A | 0.0000 | |
| 360 | T | A | -0.7122 | |
| 361 | R | A | -0.9224 | |
| 362 | E | A | -0.6172 | |
| 363 | Y | A | 0.0000 | |
| 364 | Q | A | -0.8001 | |
| 365 | L | A | 0.0000 | |
| 366 | S | A | 0.0000 | |
| 367 | L | A | 0.0000 | |
| 368 | I | A | 0.0000 | |
| 369 | V | A | 0.0000 | |
| 370 | Q | A | -0.3627 | |
| 371 | L | A | 0.0000 | |
| 372 | A | A | 0.0000 | |
| 373 | R | A | -1.4977 | |
| 374 | I | A | 0.0000 | |
| 375 | P | A | -1.0731 | |
| 376 | L | A | -0.5859 | |
| 377 | T | A | -0.6339 | |
| 378 | P | A | -0.9998 | |
| 379 | D | A | -1.8014 | |
| 380 | V | A | 0.0000 | |
| 381 | L | A | -0.4363 | |
| 382 | A | A | -0.7137 | |
| 383 | E | A | 0.0000 | |
| 384 | I | A | 0.0000 | |
| 385 | A | A | -0.5558 | |
| 386 | R | A | -1.0450 | |
| 387 | I | A | -0.5694 | |
| 388 | D | A | -0.9075 | |
| 389 | P | A | -0.8182 | |
| 390 | S | A | -1.0289 | |
| 391 | I | A | 0.0000 | |
| 392 | L | A | 0.0000 | |
| 393 | V | A | -0.9780 | |
| 394 | N | A | -1.3543 | |
| 395 | W | A | -1.1715 | |
| 396 | N | A | -1.6288 | |
| 397 | L | A | 0.0000 | |
| 398 | P | A | -0.5883 | |
| 399 | S | A | -0.3497 | |
| 400 | I | A | 0.0570 | |
| 401 | P | A | -0.1034 | |
| 402 | P | A | -0.5175 | |
| 403 | V | A | 0.1798 | |
| 404 | E | A | -2.0358 | |
| 405 | R | A | -2.4792 | |
| 406 | P | A | -1.8299 | |
| 407 | D | A | -1.9538 | |
| 408 | P | A | -1.1068 | |
| 409 | L | A | -0.7924 | |
| 410 | A | A | -1.0078 | |
| 411 | G | A | -1.2984 | |
| 412 | K | A | -1.8543 | |
| 413 | K | A | -2.3559 | |
| 414 | F | A | -1.2627 | |
| 415 | I | A | -0.9272 | |
| 416 | N | A | -1.7631 | |
| 417 | L | A | -1.5087 | |
| 418 | D | A | -2.5229 | |
| 419 | L | A | 0.0000 | |
| 420 | T | A | -1.7350 | |
| 421 | D | A | -2.4150 | |
| 422 | K | A | -2.1332 | |
| 423 | L | A | -0.9108 | |
| 424 | S | A | -1.2203 | |
| 425 | S | A | -0.8951 | |
| 426 | N | A | -2.1298 | |
| 427 | L | A | 0.0000 | |
| 428 | E | A | -3.0342 | |
| 429 | D | A | -3.0821 | |
| 430 | S | A | 0.0000 | |
| 431 | W | A | -0.3580 | |
| 432 | L | A | 0.0000 | |
| 433 | G | A | 0.0000 | |
| 434 | R | A | -2.0035 | |
| 435 | L | A | -0.5721 | |
| 436 | Y | A | -0.3604 | |
| 437 | L | A | -0.3050 | |
| 438 | N | A | -1.5528 | |
| 439 | K | A | -1.8157 |
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