| Chain sequence(s) |
A: GPLLLNPEPELRSTDEYVTPTDLLYIAETDLLTETGHPTKDIVKDGKVEIKRVSAYDWRVFHLTLPDPNTLPLPSADFVDPATERLIWRLLAYKIHVYGPLGKGEYGHPNFNRLGNVDNPTSYQHETADDTVAYSFRPILKQEYIIGDRPPLGKYTAPAAPAPGLPPGAPPPLQVVTTYIEDGDRADIGFGARDYAALEPRKDEVPDIILDTTTKVYDYDAMKAEPYGDRMFDYDKYEKSYASENLVRDGVDLFPLPDAPPPSPLYVAPPASSPYSVRPSYNYFTIPDEGEITEEDLLFNKPIFLTKTAGLNNGILWHNRLYITVLDNRRAEIEEIEEQIATPPINVYNPAYYKKSERYTREYKLSLIVQLCRIPLTPEVLAEIERRDPRILTDWRLPDVPPVERPDPLAGKKFREIDLTDKLSRDLEKYDLGREYLNR
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. (00:00:05)
|
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 | G | A | 0.0708 | |
| 2 | P | A | 0.9474 | |
| 3 | L | A | 2.3551 | |
| 4 | L | A | 2.4506 | |
| 5 | L | A | 1.7356 | |
| 6 | N | A | -0.4449 | |
| 7 | P | A | -1.4086 | |
| 8 | E | A | -2.5653 | |
| 9 | P | A | -2.1878 | |
| 10 | E | A | -2.3535 | |
| 11 | L | A | -1.1394 | |
| 12 | R | A | -1.3849 | |
| 13 | S | A | -1.3375 | |
| 14 | T | A | 0.0000 | |
| 15 | D | A | -2.7748 | |
| 16 | E | A | -2.7139 | |
| 17 | Y | A | 0.0000 | |
| 18 | V | A | 0.0000 | |
| 19 | T | A | -0.9253 | |
| 20 | P | A | -1.0008 | |
| 21 | T | A | 0.0000 | |
| 22 | D | A | -1.7754 | |
| 23 | L | A | 0.0000 | |
| 24 | L | A | -0.8692 | |
| 25 | Y | A | -0.9824 | |
| 26 | I | A | 0.0000 | |
| 27 | A | A | 0.0000 | |
| 28 | E | A | -0.8936 | |
| 29 | T | A | 0.0000 | |
| 30 | D | A | -1.3606 | |
| 31 | L | A | 0.3019 | |
| 32 | L | A | 0.0671 | |
| 33 | T | A | -0.1102 | |
| 34 | E | A | -0.3744 | |
| 35 | T | A | -0.5269 | |
| 36 | G | A | 0.0000 | |
| 37 | H | A | -1.6153 | |
| 38 | P | A | 0.0000 | |
| 39 | T | A | -1.5676 | |
| 40 | K | A | -2.2650 | |
| 41 | D | A | -2.1284 | |
| 42 | I | A | -0.6618 | |
| 43 | V | A | -0.3928 | |
| 44 | K | A | -2.3877 | |
| 45 | D | A | -2.8943 | |
| 46 | G | A | -1.9624 | |
| 47 | K | A | -2.0913 | |
| 48 | V | A | -0.5723 | |
| 49 | E | A | -1.8547 | |
| 50 | I | A | -1.2214 | |
| 51 | K | A | -1.6432 | |
| 52 | R | A | -1.9934 | |
| 53 | V | A | 0.0000 | |
| 54 | S | A | 0.0000 | |
| 55 | A | A | 0.0000 | |
| 56 | Y | A | 0.0000 | |
| 57 | D | A | 0.0000 | |
| 58 | W | A | 0.0000 | |
| 59 | R | A | 0.0000 | |
| 60 | V | A | 0.0000 | |
| 61 | F | A | 0.0000 | |
| 62 | H | A | -1.4314 | |
| 63 | L | A | 0.0000 | |
| 64 | T | A | -1.3223 | |
| 65 | L | A | 0.0000 | |
| 66 | P | A | 0.0000 | |
| 67 | D | A | -1.1856 | |
| 68 | P | A | 0.0000 | |
| 69 | N | A | -0.8533 | |
| 70 | T | A | -0.4242 | |
| 71 | L | A | -0.0914 | |
| 72 | P | A | -0.0074 | |
| 73 | L | A | 0.1064 | |
| 74 | P | A | -0.2441 | |
| 75 | S | A | -0.5508 | |
| 76 | A | A | -0.9369 | |
| 77 | D | A | -1.9772 | |
| 78 | F | A | -0.9362 | |
| 79 | V | A | 0.0000 | |
| 80 | D | A | -2.0586 | |
| 81 | P | A | -1.3365 | |
| 82 | A | A | -0.6788 | |
| 83 | T | A | -0.8016 | |
| 84 | E | A | -1.2097 | |
| 85 | R | A | -0.9453 | |
| 86 | L | A | 0.0000 | |
| 87 | I | A | 0.0000 | |
| 88 | W | A | 0.0000 | |
| 89 | R | A | -0.3434 | |
| 90 | L | A | 0.0000 | |
| 91 | L | A | 0.0000 | |
| 92 | A | A | 0.0000 | |
| 93 | Y | A | 0.0000 | |
| 94 | K | A | -0.7430 | |
| 95 | I | A | 0.0000 | |
| 96 | H | A | -0.4926 | |
| 97 | V | A | 0.0000 | |
| 98 | Y | A | 0.2388 | |
| 99 | G | A | -0.4892 | |
| 100 | P | A | -0.4942 | |
| 101 | L | A | -0.4787 | |
| 102 | G | A | -1.2599 | |
| 103 | K | A | -2.1139 | |
| 104 | G | A | 0.0000 | |
| 105 | E | A | -2.5128 | |
| 106 | Y | A | 0.0000 | |
| 107 | G | A | -1.0085 | |
| 108 | H | A | 0.0000 | |
| 109 | P | A | -0.7802 | |
| 110 | N | A | -1.7317 | |
| 111 | F | A | 0.0000 | |
| 112 | N | A | 0.0000 | |
| 113 | R | A | -0.7033 | |
| 114 | L | A | 0.0000 | |
| 115 | G | A | 0.0000 | |
| 116 | N | A | -1.1542 | |
| 117 | V | A | -0.5681 | |
| 118 | D | A | -2.4057 | |
| 119 | N | A | -2.2458 | |
| 120 | P | A | -1.2274 | |
| 121 | T | A | -0.8058 | |
| 122 | S | A | -0.5502 | |
| 123 | Y | A | 0.1926 | |
| 124 | Q | A | -0.8364 | |
| 125 | H | A | -1.0033 | |
| 126 | E | A | -1.7011 | |
| 127 | T | A | -1.4589 | |
| 128 | A | A | -1.1376 | |
| 129 | D | A | -2.1218 | |
| 130 | D | A | -1.5740 | |
| 131 | T | A | -0.9700 | |
| 132 | V | A | -0.1503 | |
| 133 | A | A | -0.1694 | |
| 134 | Y | A | -0.0947 | |
| 135 | S | A | -0.6815 | |
| 136 | F | A | 0.0000 | |
| 137 | R | A | -1.3813 | |
| 138 | P | A | 0.0000 | |
| 139 | I | A | -0.2867 | |
| 140 | L | A | 0.0000 | |
| 141 | K | A | 0.0000 | |
| 142 | Q | A | 0.0000 | |
| 143 | E | A | 0.0000 | |
| 144 | Y | A | 0.0000 | |
| 145 | I | A | 0.0000 | |
| 146 | I | A | 0.0000 | |
| 147 | G | A | 0.0000 | |
| 148 | D | A | 0.0000 | |
| 149 | R | A | -0.3877 | |
| 150 | P | A | 0.0000 | |
| 151 | P | A | 0.0000 | |
| 152 | L | A | 0.0084 | |
| 153 | G | A | 0.0000 | |
| 154 | K | A | 0.1569 | |
| 155 | Y | A | -0.0427 | |
| 156 | T | A | 0.3245 | |
| 157 | A | A | 0.0000 | |
| 158 | P | A | 0.3672 | |
| 159 | A | A | 0.4449 | |
| 160 | A | A | -0.0168 | |
| 161 | P | A | -0.0640 | |
| 162 | A | A | -0.1198 | |
| 163 | P | A | -0.3048 | |
| 164 | G | A | -0.2937 | |
| 165 | L | A | 0.2048 | |
| 166 | P | A | -0.2567 | |
| 167 | P | A | -0.4769 | |
| 168 | G | A | -0.4245 | |
| 169 | A | A | -0.1359 | |
| 170 | P | A | 0.0100 | |
| 171 | P | A | 0.0515 | |
| 172 | P | A | 0.3929 | |
| 173 | L | A | 1.3333 | |
| 174 | Q | A | 0.7887 | |
| 175 | V | A | 1.6286 | |
| 176 | V | A | 0.8685 | |
| 177 | T | A | 0.4128 | |
| 178 | T | A | 0.2425 | |
| 179 | Y | A | -0.2759 | |
| 180 | I | A | 0.0000 | |
| 181 | E | A | -1.1978 | |
| 182 | D | A | -1.3651 | |
| 183 | G | A | -0.7880 | |
| 184 | D | A | -0.7075 | |
| 185 | R | A | 0.0000 | |
| 186 | A | A | 0.0000 | |
| 187 | D | A | -0.3077 | |
| 188 | I | A | 0.0000 | |
| 189 | G | A | -0.2033 | |
| 190 | F | A | -0.1766 | |
| 191 | G | A | -0.4389 | |
| 192 | A | A | -0.5139 | |
| 193 | R | A | -1.0119 | |
| 194 | D | A | -1.0705 | |
| 195 | Y | A | 0.0000 | |
| 196 | A | A | -1.4411 | |
| 197 | A | A | -0.5280 | |
| 198 | L | A | -0.5974 | |
| 199 | E | A | -1.5977 | |
| 200 | P | A | -1.7396 | |
| 201 | R | A | -2.4326 | |
| 202 | K | A | -3.0078 | |
| 203 | D | A | 0.0000 | |
| 204 | E | A | -1.4105 | |
| 205 | V | A | 0.0000 | |
| 206 | P | A | 0.0000 | |
| 207 | D | A | -1.7333 | |
| 208 | I | A | 0.0000 | |
| 209 | I | A | 0.0000 | |
| 210 | L | A | -1.4199 | |
| 211 | D | A | -2.1460 | |
| 212 | T | A | -1.2104 | |
| 213 | T | A | -0.9222 | |
| 214 | T | A | 0.0000 | |
| 215 | K | A | 0.0000 | |
| 216 | V | A | 0.1379 | |
| 217 | Y | A | 0.1425 | |
| 218 | D | A | 0.0000 | |
| 219 | Y | A | -0.8268 | |
| 220 | D | A | -2.1298 | |
| 221 | A | A | -1.3244 | |
| 222 | M | A | 0.0000 | |
| 223 | K | A | -2.3278 | |
| 224 | A | A | -1.4057 | |
| 225 | E | A | -1.0937 | |
| 226 | P | A | -0.5402 | |
| 227 | Y | A | 0.0000 | |
| 228 | G | A | 0.0000 | |
| 229 | D | A | 0.0000 | |
| 230 | R | A | -0.6235 | |
| 231 | M | A | 0.0000 | |
| 232 | F | A | 0.0000 | |
| 233 | D | A | -0.5012 | |
| 234 | Y | A | -0.5592 | |
| 235 | D | A | -1.2698 | |
| 236 | K | A | -1.5802 | |
| 237 | Y | A | -1.3285 | |
| 238 | E | A | -1.4436 | |
| 239 | K | A | -1.1746 | |
| 240 | S | A | -0.5676 | |
| 241 | Y | A | 0.2057 | |
| 242 | A | A | 0.0739 | |
| 243 | S | A | -0.5934 | |
| 244 | E | A | -1.1678 | |
| 245 | N | A | -0.9444 | |
| 246 | L | A | 0.0000 | |
| 247 | V | A | 0.0000 | |
| 248 | R | A | -0.4698 | |
| 249 | D | A | 0.0000 | |
| 250 | G | A | 0.1870 | |
| 251 | V | A | 1.5497 | |
| 252 | D | A | 1.2038 | |
| 253 | L | A | 2.1695 | |
| 254 | F | A | 2.5274 | |
| 255 | P | A | 1.0734 | |
| 256 | L | A | 0.6050 | |
| 257 | P | A | -0.3825 | |
| 258 | D | A | -1.4667 | |
| 259 | A | A | -0.4613 | |
| 260 | P | A | -0.6146 | |
| 261 | P | A | -0.3494 | |
| 262 | P | A | 0.0432 | |
| 263 | S | A | 0.2729 | |
| 264 | P | A | 0.6952 | |
| 265 | L | A | 1.7051 | |
| 266 | Y | A | 1.4864 | |
| 267 | V | A | 1.7628 | |
| 268 | A | A | 0.8767 | |
| 269 | P | A | 0.6287 | |
| 270 | P | A | 0.0023 | |
| 271 | A | A | 0.1854 | |
| 272 | S | A | -0.1839 | |
| 273 | S | A | 0.3562 | |
| 274 | P | A | 0.5937 | |
| 275 | Y | A | 1.4136 | |
| 276 | S | A | 0.9860 | |
| 277 | V | A | 1.5082 | |
| 278 | R | A | 0.3069 | |
| 279 | P | A | -0.2766 | |
| 280 | S | A | -0.3027 | |
| 281 | Y | A | 0.1468 | |
| 282 | N | A | -0.1765 | |
| 283 | Y | A | 0.9822 | |
| 284 | F | A | 0.4103 | |
| 285 | T | A | 0.1462 | |
| 286 | I | A | 0.0000 | |
| 287 | P | A | 0.0000 | |
| 288 | D | A | -0.6983 | |
| 289 | E | A | 0.0000 | |
| 290 | G | A | -1.0244 | |
| 291 | E | A | -1.8668 | |
| 292 | I | A | -1.4223 | |
| 293 | T | A | -2.0541 | |
| 294 | E | A | -2.9347 | |
| 295 | E | A | -3.4504 | |
| 296 | D | A | -2.8685 | |
| 297 | L | A | -1.9133 | |
| 298 | L | A | -1.2103 | |
| 299 | F | A | 0.0000 | |
| 300 | N | A | -1.1140 | |
| 301 | K | A | -1.4908 | |
| 302 | P | A | -0.7381 | |
| 303 | I | A | 0.2529 | |
| 304 | F | A | 0.0937 | |
| 305 | L | A | -0.1338 | |
| 306 | T | A | -0.6719 | |
| 307 | K | A | -1.8063 | |
| 308 | T | A | 0.0000 | |
| 309 | A | A | -0.6271 | |
| 310 | G | A | -0.6079 | |
| 311 | L | A | -0.4393 | |
| 312 | N | A | 0.0000 | |
| 313 | N | A | 0.0000 | |
| 314 | G | A | 0.0000 | |
| 315 | I | A | 0.0000 | |
| 316 | L | A | 0.0000 | |
| 317 | W | A | 0.0000 | |
| 318 | H | A | -0.9012 | |
| 319 | N | A | -0.8317 | |
| 320 | R | A | -0.7601 | |
| 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 | R | A | 0.0000 | |
| 330 | R | A | -0.7867 | |
| 331 | A | A | 0.0000 | |
| 332 | E | A | -2.9139 | |
| 333 | I | A | -2.3812 | |
| 334 | E | A | -2.8709 | |
| 335 | E | A | -3.3371 | |
| 336 | I | A | -2.5447 | |
| 337 | E | A | -4.0363 | |
| 338 | E | A | -3.4119 | |
| 339 | Q | A | -2.0485 | |
| 340 | I | A | 0.3365 | |
| 341 | A | A | 0.2446 | |
| 342 | T | A | 0.3669 | |
| 343 | P | A | 0.7731 | |
| 344 | P | A | 1.0529 | |
| 345 | I | A | 1.9113 | |
| 346 | N | A | 0.6418 | |
| 347 | V | A | 1.9028 | |
| 348 | Y | A | 1.7118 | |
| 349 | N | A | 0.4042 | |
| 350 | P | A | -0.3730 | |
| 351 | A | A | 0.0115 | |
| 352 | Y | A | -0.1826 | |
| 353 | Y | A | -1.6303 | |
| 354 | K | A | -3.1966 | |
| 355 | K | A | -4.0623 | |
| 356 | S | A | -2.8119 | |
| 357 | E | A | -2.3093 | |
| 358 | R | A | -1.7432 | |
| 359 | Y | A | 0.0000 | |
| 360 | T | A | -0.7521 | |
| 361 | R | A | 0.0000 | |
| 362 | E | A | -0.1718 | |
| 363 | Y | A | 0.0000 | |
| 364 | K | A | -0.5253 | |
| 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 | -0.4694 | |
| 371 | L | A | 0.0000 | |
| 372 | C | A | 0.0000 | |
| 373 | R | A | -0.7633 | |
| 374 | I | A | 0.0000 | |
| 375 | P | A | -0.6915 | |
| 376 | L | A | -0.3644 | |
| 377 | T | A | -0.6442 | |
| 378 | P | A | -0.9880 | |
| 379 | E | A | -1.9132 | |
| 380 | V | A | 0.0000 | |
| 381 | L | A | -0.7642 | |
| 382 | A | A | -1.2282 | |
| 383 | E | A | 0.0000 | |
| 384 | I | A | 0.0000 | |
| 385 | E | A | -1.9391 | |
| 386 | R | A | -1.8827 | |
| 387 | R | A | 0.0000 | |
| 388 | D | A | 0.0000 | |
| 389 | P | A | -1.3183 | |
| 390 | R | A | -1.8337 | |
| 391 | I | A | 0.0000 | |
| 392 | L | A | 0.0000 | |
| 393 | T | A | -1.7729 | |
| 394 | D | A | -2.3685 | |
| 395 | W | A | -1.7766 | |
| 396 | R | A | -2.5937 | |
| 397 | L | A | -1.5544 | |
| 398 | P | A | -1.3618 | |
| 399 | D | A | -2.0113 | |
| 400 | V | A | -1.1738 | |
| 401 | P | A | -1.0334 | |
| 402 | P | A | -1.4740 | |
| 403 | V | A | -1.3757 | |
| 404 | E | A | -2.8870 | |
| 405 | R | A | -3.2315 | |
| 406 | P | A | -2.3244 | |
| 407 | D | A | -2.5555 | |
| 408 | P | A | -1.3898 | |
| 409 | L | A | -1.0616 | |
| 410 | A | A | -1.1991 | |
| 411 | G | A | -1.3842 | |
| 412 | K | A | -1.7845 | |
| 413 | K | A | -2.5720 | |
| 414 | F | A | -1.7361 | |
| 415 | R | A | -1.7821 | |
| 416 | E | A | -2.6484 | |
| 417 | I | A | 0.0000 | |
| 418 | D | A | -2.8222 | |
| 419 | L | A | 0.0000 | |
| 420 | T | A | -1.8844 | |
| 421 | D | A | -2.6140 | |
| 422 | K | A | -2.4338 | |
| 423 | L | A | -1.4105 | |
| 424 | S | A | -1.9428 | |
| 425 | R | A | -2.8759 | |
| 426 | D | A | -3.4502 | |
| 427 | L | A | 0.0000 | |
| 428 | E | A | -3.7083 | |
| 429 | K | A | -3.5348 | |
| 430 | Y | A | -2.2623 | |
| 431 | D | A | -2.0280 | |
| 432 | L | A | 0.0000 | |
| 433 | G | A | 0.0000 | |
| 434 | R | A | -2.9203 | |
| 435 | E | A | -1.8754 | |
| 436 | Y | A | -0.9644 | |
| 437 | L | A | -0.7776 | |
| 438 | N | A | -1.9999 | |
| 439 | R | A | -2.2246 |
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